@jjlmoya/utils-science 1.41.0 → 1.43.0

package/src/tool/crystal-lattice-structure-finder/i18n/ko.ts

@@ -93,6 +93,45 @@ export const content: ToolLocaleContent = {
     materialTitaniumNote: '항공우주 분야에서 널리 사용되는 고강도 HCP 금속.',
     materialHalite: 'Halite',
     materialHaliteNote: '4개의 NaCl 단위를 가진 FCC 파생 전통적 세포의 이온성 암염.',
+    shortSimpleCubic: 'SC',
+    shortFaceCenteredCubic: 'FCC',
+    shortHexagonalClosePacked: 'HCP',
+    shortBodyCenteredCubic: 'BCC',
+    shortDiamondCubic: 'DC',
+    shortRockSalt: 'NaCl',
+    shortCesiumChloride: 'CsCl',
+    shortZincBlende: 'ZnS',
+    shortWurtzite: 'WZ',
+    shortPerovskite: 'ABO3',
+    shortRutile: 'TiO2',
+    latticeBodyCenteredCubic: '체심 입방',
+    latticeCesiumChloride: '염화 세슘',
+    latticeDiamondCubic: '다이아몬드 입방',
+    latticeFaceCenteredCubic: '면심 입방',
+    latticeHexagonalClosePacked: '육방 조밀 충전',
+    latticePerovskite: '입방 페로브스카이트',
+    latticeRockSalt: '암염',
+    latticeRutile: '루타일',
+    latticeWurtzite: '우르츠광',
+    latticeZincBlende: '섬아연석',
+    materialAlphaIron: '알파 철',
+    materialAlphaIronNote: '상온의 체심 입방 철 상입니다.',
+    materialTungsten: '텅스텐',
+    materialTungstenNote: '매우 높은 녹는점을 가진 조밀한 BCC 내화 금속입니다.',
+    materialSilicon: '실리콘',
+    materialSiliconNote: '집적 회로에 쓰이는 다이아몬드 입방 반도체입니다.',
+    materialDiamond: '다이아몬드',
+    materialDiamondNote: '다이아몬드 입방 구조의 공유 결합 탄소 네트워크입니다.',
+    materialCesiumChloride: '염화 세슘',
+    materialCesiumChlorideNote: '팔배위의 상호 침투 단순 입방 이온 구조입니다.',
+    materialZincSulfide: '황화 아연',
+    materialZincSulfideNote: '섬아연석이라고도 하며 사면체 배위를 가집니다.',
+    materialGalliumNitride: '질화 갈륨',
+    materialGalliumNitrideNote: 'LED와 전력 전자에 쓰이는 우르츠광 반도체입니다.',
+    materialStrontiumTitanate: '티탄산 스트론튬',
+    materialStrontiumTitanateNote: '기판과 유전체 모델로 자주 쓰이는 입방 페로브스카이트 산화물입니다.',
+    materialRutileTitania: '루타일 티타니아',
+    materialRutileTitaniaNote: '티타늄의 팔면체 배위를 가진 루타일 TiO2 구조입니다.',
   },
   seo: [
     {

package/src/tool/crystal-lattice-structure-finder/i18n/nl.ts

@@ -93,6 +93,45 @@ export const content: ToolLocaleContent = {
     materialTitaniumNote: 'HDP-fase van titanium bij kamertemperatuur.',
     materialHalite: 'Haliet (benadering)',
     materialHaliteNote: 'Steenzout wordt gemodelleerd via zijn conventionele FCC-cel met vier NaCl-formule-eenheden.',
+    shortSimpleCubic: 'SC',
+    shortFaceCenteredCubic: 'FCC',
+    shortHexagonalClosePacked: 'HCP',
+    shortBodyCenteredCubic: 'BCC',
+    shortDiamondCubic: 'DC',
+    shortRockSalt: 'NaCl',
+    shortCesiumChloride: 'CsCl',
+    shortZincBlende: 'ZnS',
+    shortWurtzite: 'WZ',
+    shortPerovskite: 'ABO3',
+    shortRutile: 'TiO2',
+    latticeBodyCenteredCubic: 'Ruimtegecentreerd kubisch',
+    latticeCesiumChloride: 'Cesiumchloride',
+    latticeDiamondCubic: 'Diamantkubisch',
+    latticeFaceCenteredCubic: 'Vlakgecentreerd kubisch',
+    latticeHexagonalClosePacked: 'Hexagonaal dichtst gepakt',
+    latticePerovskite: 'Kubische perovskiet',
+    latticeRockSalt: 'Steenzout',
+    latticeRutile: 'Rutiel',
+    latticeWurtzite: 'Wurtziet',
+    latticeZincBlende: 'Zinkblende',
+    materialAlphaIron: 'Alfa-ijzer',
+    materialAlphaIronNote: 'Ruimtegecentreerd kubische ijzerfase bij kamertemperatuur.',
+    materialTungsten: 'Wolfraam',
+    materialTungstenNote: 'Dicht BCC-refractair metaal met een zeer hoog smeltpunt.',
+    materialSilicon: 'Silicium',
+    materialSiliconNote: 'Diamantkubische halfgeleider gebruikt in geïntegreerde schakelingen.',
+    materialDiamond: 'Diamant',
+    materialDiamondNote: 'Covalent koolstofnetwerk in diamantkubische structuur.',
+    materialCesiumChloride: 'Cesiumchloride',
+    materialCesiumChlorideNote: 'Interpenetrerende eenvoudige kubische ionstructuur met achtvoudige coördinatie.',
+    materialZincSulfide: 'Zinksulfide',
+    materialZincSulfideNote: 'Sfaleriet, ook zinkblende genoemd, met tetraëdrische coördinatie.',
+    materialGalliumNitride: 'Galliumnitride',
+    materialGalliumNitrideNote: 'Wurtziet-halfgeleider gebruikt in leds en vermogenselektronica.',
+    materialStrontiumTitanate: 'Strontiumtitanaat',
+    materialStrontiumTitanateNote: 'Kubisch perovskietoxide gebruikt als substraat en diëlektrisch model.',
+    materialRutileTitania: 'Rutiel-titania',
+    materialRutileTitaniaNote: 'Rutiel-TiO2-structuur met octaëdrische titaniumcoördinatie.',
   },
   seo: [
     {

package/src/tool/crystal-lattice-structure-finder/i18n/pl.ts

@@ -93,6 +93,45 @@ export const content: ToolLocaleContent = {
     materialTitaniumNote: 'Faza HCP tytanu w temperaturze pokojowej.',
     materialHalite: 'Aproksymacja halitu',
     materialHaliteNote: 'Sól kamienna modelowana przez konwencjonalną komórkę FCC z czterema jednostkami wzoru NaCl.',
+    shortSimpleCubic: 'SC',
+    shortFaceCenteredCubic: 'FCC',
+    shortHexagonalClosePacked: 'HCP',
+    shortBodyCenteredCubic: 'BCC',
+    shortDiamondCubic: 'DC',
+    shortRockSalt: 'NaCl',
+    shortCesiumChloride: 'CsCl',
+    shortZincBlende: 'ZnS',
+    shortWurtzite: 'WZ',
+    shortPerovskite: 'ABO3',
+    shortRutile: 'TiO2',
+    latticeBodyCenteredCubic: 'Regularna przestrzennie centrowana',
+    latticeCesiumChloride: 'Chlorek cezu',
+    latticeDiamondCubic: 'Regularna diamentowa',
+    latticeFaceCenteredCubic: 'Regularna ściennie centrowana',
+    latticeHexagonalClosePacked: 'Heksagonalna zwarta',
+    latticePerovskite: 'Perowskit regularny',
+    latticeRockSalt: 'Sól kamienna',
+    latticeRutile: 'Rutyl',
+    latticeWurtzite: 'Wurcyt',
+    latticeZincBlende: 'Blenda cynkowa',
+    materialAlphaIron: 'Żelazo alfa',
+    materialAlphaIronNote: 'Faza żelaza BCC w temperaturze pokojowej.',
+    materialTungsten: 'Wolfram',
+    materialTungstenNote: 'Gęsty metal ogniotrwały BCC o bardzo wysokiej temperaturze topnienia.',
+    materialSilicon: 'Krzem',
+    materialSiliconNote: 'Półprzewodnik o strukturze diamentowej używany w układach scalonych.',
+    materialDiamond: 'Diament',
+    materialDiamondNote: 'Kowalencyjna sieć węglowa w strukturze regularnej diamentowej.',
+    materialCesiumChloride: 'Chlorek cezu',
+    materialCesiumChlorideNote: 'Przenikająca się prosta struktura jonowa o koordynacji ośmiokrotnej.',
+    materialZincSulfide: 'Siarczek cynku',
+    materialZincSulfideNote: 'Sfalerit, zwany też blendą cynkową, o koordynacji tetraedrycznej.',
+    materialGalliumNitride: 'Azotek galu',
+    materialGalliumNitrideNote: 'Półprzewodnik wurcytowy używany w LED i elektronice mocy.',
+    materialStrontiumTitanate: 'Tytanian strontu',
+    materialStrontiumTitanateNote: 'Regularny tlenek perowskitowy używany jako podłoże i model dielektryczny.',
+    materialRutileTitania: 'Tytania rutylowa',
+    materialRutileTitaniaNote: 'Struktura rutylowa TiO2 z oktaedryczną koordynacją tytanu.',
   },
   seo: [
     {

package/src/tool/crystal-lattice-structure-finder/i18n/pt.ts

@@ -93,6 +93,45 @@ export const content: ToolLocaleContent = {
     materialTitaniumNote: 'Fase HC do titânio à temperatura ambiente.',
     materialHalite: 'Aproximação da halita',
     materialHaliteNote: 'O sal-gema é modelado através de sua célula CFC convencional com quatro unidades de fórmula NaCl.',
+    shortSimpleCubic: 'SC',
+    shortFaceCenteredCubic: 'FCC',
+    shortHexagonalClosePacked: 'HCP',
+    shortBodyCenteredCubic: 'BCC',
+    shortDiamondCubic: 'DC',
+    shortRockSalt: 'NaCl',
+    shortCesiumChloride: 'CsCl',
+    shortZincBlende: 'ZnS',
+    shortWurtzite: 'WZ',
+    shortPerovskite: 'ABO3',
+    shortRutile: 'TiO2',
+    latticeBodyCenteredCubic: 'Cúbica de corpo centrado',
+    latticeCesiumChloride: 'Cloreto de césio',
+    latticeDiamondCubic: 'Cúbica do diamante',
+    latticeFaceCenteredCubic: 'Cúbica de face centrada',
+    latticeHexagonalClosePacked: 'Hexagonal compacta',
+    latticePerovskite: 'Perovskita cúbica',
+    latticeRockSalt: 'Sal-gema',
+    latticeRutile: 'Rutilo',
+    latticeWurtzite: 'Wurtzita',
+    latticeZincBlende: 'Blenda de zinco',
+    materialAlphaIron: 'Ferro alfa',
+    materialAlphaIronNote: 'Fase do ferro cúbica de corpo centrado em temperatura ambiente.',
+    materialTungsten: 'Tungstênio',
+    materialTungstenNote: 'Metal refratário BCC denso com ponto de fusão muito alto.',
+    materialSilicon: 'Silício',
+    materialSiliconNote: 'Semicondutor cúbico do diamante usado em circuitos integrados.',
+    materialDiamond: 'Diamante',
+    materialDiamondNote: 'Rede covalente de carbono na estrutura cúbica do diamante.',
+    materialCesiumChloride: 'Cloreto de césio',
+    materialCesiumChlorideNote: 'Estrutura iônica cúbica simples interpenetrada com coordenação oito.',
+    materialZincSulfide: 'Sulfeto de zinco',
+    materialZincSulfideNote: 'Esfalerita, também chamada blenda de zinco, com coordenação tetraédrica.',
+    materialGalliumNitride: 'Nitreto de gálio',
+    materialGalliumNitrideNote: 'Semicondutor wurtzita usado em LEDs e eletrônica de potência.',
+    materialStrontiumTitanate: 'Titanato de estrôncio',
+    materialStrontiumTitanateNote: 'Óxido perovskita cúbico usado como substrato e modelo dielétrico.',
+    materialRutileTitania: 'Titânia rutilo',
+    materialRutileTitaniaNote: 'Estrutura TiO2 rutilo com coordenação octaédrica do titânio.',
   },
   seo: [
     {

package/src/tool/crystal-lattice-structure-finder/i18n/ru.ts

@@ -93,6 +93,45 @@ export const content: ToolLocaleContent = {
     materialTitaniumNote: 'ГПУ-фаза титана при комнатной температуре.',
     materialHalite: 'Приближение галита',
     materialHaliteNote: 'Каменная соль моделируется через её conventional ГЦК-ячейку с четырьмя формульными единицами NaCl.',
+    shortSimpleCubic: 'SC',
+    shortFaceCenteredCubic: 'FCC',
+    shortHexagonalClosePacked: 'HCP',
+    shortBodyCenteredCubic: 'BCC',
+    shortDiamondCubic: 'DC',
+    shortRockSalt: 'NaCl',
+    shortCesiumChloride: 'CsCl',
+    shortZincBlende: 'ZnS',
+    shortWurtzite: 'WZ',
+    shortPerovskite: 'ABO3',
+    shortRutile: 'TiO2',
+    latticeBodyCenteredCubic: 'Объёмно-центрированная кубическая',
+    latticeCesiumChloride: 'Хлорид цезия',
+    latticeDiamondCubic: 'Кубическая алмазная',
+    latticeFaceCenteredCubic: 'Гранецентрированная кубическая',
+    latticeHexagonalClosePacked: 'Гексагональная плотноупакованная',
+    latticePerovskite: 'Кубический перовскит',
+    latticeRockSalt: 'Каменная соль',
+    latticeRutile: 'Рутил',
+    latticeWurtzite: 'Вюрцит',
+    latticeZincBlende: 'Цинковая обманка',
+    materialAlphaIron: 'Альфа-железо',
+    materialAlphaIronNote: 'ОЦК-фаза железа при комнатной температуре.',
+    materialTungsten: 'Вольфрам',
+    materialTungstenNote: 'Плотный ОЦК тугоплавкий металл с очень высокой температурой плавления.',
+    materialSilicon: 'Кремний',
+    materialSiliconNote: 'Полупроводник с алмазной кубической структурой для интегральных схем.',
+    materialDiamond: 'Алмаз',
+    materialDiamondNote: 'Ковалентная углеродная сеть с алмазной кубической структурой.',
+    materialCesiumChloride: 'Хлорид цезия',
+    materialCesiumChlorideNote: 'Взаимопроникающая простая кубическая ионная структура с восьмикратной координацией.',
+    materialZincSulfide: 'Сульфид цинка',
+    materialZincSulfideNote: 'Сфалерит, также называемый цинковой обманкой, с тетраэдрической координацией.',
+    materialGalliumNitride: 'Нитрид галлия',
+    materialGalliumNitrideNote: 'Полупроводник вюрцитной структуры для светодиодов и силовой электроники.',
+    materialStrontiumTitanate: 'Титанат стронция',
+    materialStrontiumTitanateNote: 'Кубический перовскитный оксид, используемый как подложка и диэлектрическая модель.',
+    materialRutileTitania: 'Рутильный диоксид титана',
+    materialRutileTitaniaNote: 'Структура рутила TiO2 с октаэдрической координацией титана.',
   },
   seo: [
     {

package/src/tool/crystal-lattice-structure-finder/i18n/sv.ts

@@ -93,6 +93,45 @@ export const content: ToolLocaleContent = {
     materialTitaniumNote: 'HCP-fas av titan vid rumstemperatur.',
     materialHalite: 'Halitapproximation',
     materialHaliteNote: 'Bergssalt modelleras via dess konventionella FCC-cell med fyra NaCl-formelenheter.',
+    shortSimpleCubic: 'SC',
+    shortFaceCenteredCubic: 'FCC',
+    shortHexagonalClosePacked: 'HCP',
+    shortBodyCenteredCubic: 'BCC',
+    shortDiamondCubic: 'DC',
+    shortRockSalt: 'NaCl',
+    shortCesiumChloride: 'CsCl',
+    shortZincBlende: 'ZnS',
+    shortWurtzite: 'WZ',
+    shortPerovskite: 'ABO3',
+    shortRutile: 'TiO2',
+    latticeBodyCenteredCubic: 'Kubisk rymdcentrerad',
+    latticeCesiumChloride: 'Cesiumklorid',
+    latticeDiamondCubic: 'Diamantkubisk',
+    latticeFaceCenteredCubic: 'Kubisk ytcentrerad',
+    latticeHexagonalClosePacked: 'Hexagonal tätpackad',
+    latticePerovskite: 'Kubisk perovskit',
+    latticeRockSalt: 'Bergsalt',
+    latticeRutile: 'Rutil',
+    latticeWurtzite: 'Wurtzit',
+    latticeZincBlende: 'Zinkblände',
+    materialAlphaIron: 'Alfa-järn',
+    materialAlphaIronNote: 'Kubisk rymdcentrerad järnfas vid rumstemperatur.',
+    materialTungsten: 'Volfram',
+    materialTungstenNote: 'Tät BCC-refraktärmetall med mycket hög smältpunkt.',
+    materialSilicon: 'Kisel',
+    materialSiliconNote: 'Diamantkubisk halvledare som används i integrerade kretsar.',
+    materialDiamond: 'Diamant',
+    materialDiamondNote: 'Kovalent kolnätverk i diamantkubisk struktur.',
+    materialCesiumChloride: 'Cesiumklorid',
+    materialCesiumChlorideNote: 'Interpenetrerande enkel kubisk jonstruktur med åttafaldig koordination.',
+    materialZincSulfide: 'Zinksulfid',
+    materialZincSulfideNote: 'Sfalerit, även kallad zinkblände, med tetraedrisk koordination.',
+    materialGalliumNitride: 'Galliumnitrid',
+    materialGalliumNitrideNote: 'Wurtzit-halvledare som används i LED och kraftelektronik.',
+    materialStrontiumTitanate: 'Strontiumtitanat',
+    materialStrontiumTitanateNote: 'Kubisk perovskitoxid som används som substrat och dielektrisk modell.',
+    materialRutileTitania: 'Rutil-titania',
+    materialRutileTitaniaNote: 'Rutil-TiO2-struktur med oktaedrisk titankoordinering.',
   },
   seo: [
     {

package/src/tool/crystal-lattice-structure-finder/i18n/tr.ts

@@ -93,6 +93,45 @@ export const content: ToolLocaleContent = {
     materialTitaniumNote: 'Havacılık uygulamalarında yaygın olarak kullanılan güçlü bir HSP metali.',
     materialHalite: 'Halit',
     materialHaliteNote: 'Dört NaCl birimi için YMK türevli geleneksel hücreye sahip iyonik kaya tuzu.',
+    shortSimpleCubic: 'SC',
+    shortFaceCenteredCubic: 'FCC',
+    shortHexagonalClosePacked: 'HCP',
+    shortBodyCenteredCubic: 'BCC',
+    shortDiamondCubic: 'DC',
+    shortRockSalt: 'NaCl',
+    shortCesiumChloride: 'CsCl',
+    shortZincBlende: 'ZnS',
+    shortWurtzite: 'WZ',
+    shortPerovskite: 'ABO3',
+    shortRutile: 'TiO2',
+    latticeBodyCenteredCubic: 'Hacim merkezli kübik',
+    latticeCesiumChloride: 'Sezyum klorür',
+    latticeDiamondCubic: 'Elmas kübik',
+    latticeFaceCenteredCubic: 'Yüzey merkezli kübik',
+    latticeHexagonalClosePacked: 'Hegzagonal sıkı paket',
+    latticePerovskite: 'Kübik perovskit',
+    latticeRockSalt: 'Kaya tuzu',
+    latticeRutile: 'Rutil',
+    latticeWurtzite: 'Wurtzit',
+    latticeZincBlende: 'Çinko blendi',
+    materialAlphaIron: 'Alfa demir',
+    materialAlphaIronNote: 'Oda sıcaklığındaki hacim merkezli kübik demir fazı.',
+    materialTungsten: 'Tungsten',
+    materialTungstenNote: 'Çok yüksek erime noktasına sahip yoğun BCC refrakter metal.',
+    materialSilicon: 'Silisyum',
+    materialSiliconNote: 'Entegre devrelerde kullanılan elmas kübik yarı iletken.',
+    materialDiamond: 'Elmas',
+    materialDiamondNote: 'Elmas kübik yapıda kovalent karbon ağı.',
+    materialCesiumChloride: 'Sezyum klorür',
+    materialCesiumChlorideNote: 'Sekizli koordinasyona sahip iç içe geçmiş basit kübik iyonik yapı.',
+    materialZincSulfide: 'Çinko sülfür',
+    materialZincSulfideNote: 'Sfalerit, çinko blendi olarak da bilinir, tetrahedral koordinasyona sahiptir.',
+    materialGalliumNitride: 'Galyum nitrür',
+    materialGalliumNitrideNote: 'LED ve güç elektroniğinde kullanılan wurtzit yarı iletken.',
+    materialStrontiumTitanate: 'Stronsiyum titanat',
+    materialStrontiumTitanateNote: 'Altlık ve dielektrik model olarak kullanılan kübik perovskit oksit.',
+    materialRutileTitania: 'Rutil titanya',
+    materialRutileTitaniaNote: 'Titanyumun oktahedral koordinasyonuna sahip rutil TiO2 yapısı.',
   },
   seo: [
     {

package/src/tool/crystal-lattice-structure-finder/i18n/zh.ts

@@ -93,6 +93,45 @@ export const content: ToolLocaleContent = {
     materialTitaniumNote: '航空航天应用中广泛使用的高强度HCP金属。',
     materialHalite: '岩盐',
     materialHaliteNote: '具有四个NaCl单元的FCC衍生传统晶胞的离子型石盐。',
+    shortSimpleCubic: 'SC',
+    shortFaceCenteredCubic: 'FCC',
+    shortHexagonalClosePacked: 'HCP',
+    shortBodyCenteredCubic: 'BCC',
+    shortDiamondCubic: 'DC',
+    shortRockSalt: 'NaCl',
+    shortCesiumChloride: 'CsCl',
+    shortZincBlende: 'ZnS',
+    shortWurtzite: 'WZ',
+    shortPerovskite: 'ABO3',
+    shortRutile: 'TiO2',
+    latticeBodyCenteredCubic: '体心立方',
+    latticeCesiumChloride: '氯化铯',
+    latticeDiamondCubic: '金刚石立方',
+    latticeFaceCenteredCubic: '面心立方',
+    latticeHexagonalClosePacked: '六方密堆积',
+    latticePerovskite: '立方钙钛矿',
+    latticeRockSalt: '岩盐',
+    latticeRutile: '金红石',
+    latticeWurtzite: '纤锌矿',
+    latticeZincBlende: '闪锌矿',
+    materialAlphaIron: 'α铁',
+    materialAlphaIronNote: '室温下的体心立方铁相。',
+    materialTungsten: '钨',
+    materialTungstenNote: '致密的BCC难熔金属，熔点很高。',
+    materialSilicon: '硅',
+    materialSiliconNote: '用于集成电路的金刚石立方半导体。',
+    materialDiamond: '金刚石',
+    materialDiamondNote: '金刚石立方结构中的共价碳网络。',
+    materialCesiumChloride: '氯化铯',
+    materialCesiumChlorideNote: '相互穿插的简单立方离子结构，配位数为八。',
+    materialZincSulfide: '硫化锌',
+    materialZincSulfideNote: '闪锌矿结构，具有四面体配位。',
+    materialGalliumNitride: '氮化镓',
+    materialGalliumNitrideNote: '用于LED和功率电子的纤锌矿半导体。',
+    materialStrontiumTitanate: '钛酸锶',
+    materialStrontiumTitanateNote: '常用作衬底和介电模型的立方钙钛矿氧化物。',
+    materialRutileTitania: '金红石二氧化钛',
+    materialRutileTitaniaNote: '具有钛八面体配位的金红石TiO2结构。',
   },
   seo: [
     {

package/src/tool/crystal-lattice-structure-finder/logic.ts

@@ -19,9 +19,13 @@ export function calculateTheoreticalDensity(material: MaterialPreset): DensityRe
   const lattice = getLattice(material.latticeId);
   const cToA = material.cToA ?? lattice.cToA ?? 1;
   const atomsPerCell = material.atomsPerFormulaUnit ?? lattice.atomsPerCell;
-  const volumeA3 = material.latticeId === 'hexagonal-close-packed'
-    ? (3 * Math.sqrt(3) / 2) * material.latticeA ** 2 * material.latticeA * cToA
-    : material.latticeA ** 3;
+  let volumeA3 = material.latticeA ** 3;
+  if (lattice.cellGeometry === 'hexagonal') {
+    volumeA3 = (3 * Math.sqrt(3) / 2) * material.latticeA ** 2 * material.latticeA * cToA;
+  }
+  if (lattice.cellGeometry === 'tetragonal') {
+    volumeA3 = material.latticeA ** 2 * material.latticeA * cToA;
+  }
   const cellVolumeCm3 = volumeA3 * ANGSTROM_TO_CM ** 3;
   const cellMassG = (atomsPerCell * material.atomicMass) / AVOGADRO;
 

package/src/tool/crystal-lattice-structure-finder/structures/README.md

@@ -0,0 +1,26 @@
+# Adding a crystal structure
+
+Each structure lives in its own file so the catalog can grow without editing the viewer.
+
+1. Copy one existing file, for example `body-centered-cubic.ts`.
+2. Change these fields:
+   - `id`: unique lowercase slug.
+   - `name`: label shown in the selector.
+   - `shortName`: compact label shown near the density.
+   - `cellGeometry`: `cubic`, `hexagonal`, or `tetragonal`.
+   - `coordinationNumber`: nearest-neighbor count.
+   - `atomsPerCell`: net atoms or formula units per conventional cell.
+   - `packingFactor`: decimal packing fraction. Use an estimate if the structure is not a hard-sphere metal.
+   - `radiusToA`: atomic radius divided by lattice parameter `a`.
+   - `cToA`: optional, only for non-cubic cells.
+   - `sites`: atom positions normalized from 0 to 1 inside the cell.
+3. Export the structure from the file.
+4. Add it to `structures/index.ts`.
+
+Site roles control color only:
+
+- `corner`: orange boundary atoms.
+- `face`: turquoise face or edge atoms.
+- `interior`: violet atoms inside the cell.
+
+If you also want a real material preset for the structure, add it to `MATERIAL_PRESETS` in `../data.ts` and point `latticeId` to the structure `id`.

package/src/tool/crystal-lattice-structure-finder/structures/body-centered-cubic.ts

@@ -0,0 +1,19 @@
+import type { LatticeStructure } from '../data';
+import { cubeCorners, cubeEdges, cubeVertices } from './shared';
+
+export const bodyCenteredCubic: LatticeStructure = {
+  id: 'body-centered-cubic',
+  name: 'Body-centered cubic',
+  shortName: 'BCC',
+  cellGeometry: 'cubic',
+  coordinationNumber: 8,
+  atomsPerCell: 2,
+  packingFactor: (Math.PI * Math.sqrt(3)) / 8,
+  radiusToA: Math.sqrt(3) / 4,
+  vertices: cubeVertices,
+  edges: cubeEdges,
+  sites: [
+    ...cubeCorners('bcc'),
+    { id: 'bcc-body-center', x: 0.5, y: 0.5, z: 0.5, role: 'interior' },
+  ],
+};

package/src/tool/crystal-lattice-structure-finder/structures/cesium-chloride.ts

@@ -0,0 +1,19 @@
+import type { LatticeStructure } from '../data';
+import { cubeCorners, cubeEdges, cubeVertices } from './shared';
+
+export const cesiumChloride: LatticeStructure = {
+  id: 'cesium-chloride',
+  name: 'Cesium chloride',
+  shortName: 'CsCl',
+  cellGeometry: 'cubic',
+  coordinationNumber: 8,
+  atomsPerCell: 1,
+  packingFactor: 0.732,
+  radiusToA: Math.sqrt(3) / 2,
+  vertices: cubeVertices,
+  edges: cubeEdges,
+  sites: [
+    ...cubeCorners('cscl'),
+    { id: 'cscl-body-center', x: 0.5, y: 0.5, z: 0.5, role: 'interior' },
+  ],
+};

package/src/tool/crystal-lattice-structure-finder/structures/diamond-cubic.ts

@@ -0,0 +1,23 @@
+import type { LatticeStructure } from '../data';
+import { cubeCorners, cubeEdges, cubeFaceCenters, cubeVertices, renamedSites } from './shared';
+
+export const diamondCubic: LatticeStructure = {
+  id: 'diamond-cubic',
+  name: 'Diamond cubic',
+  shortName: 'DC',
+  cellGeometry: 'cubic',
+  coordinationNumber: 4,
+  atomsPerCell: 8,
+  packingFactor: Math.PI * Math.sqrt(3) / 16,
+  radiusToA: Math.sqrt(3) / 8,
+  vertices: cubeVertices,
+  edges: cubeEdges,
+  sites: [
+    ...cubeCorners('diamond'),
+    ...renamedSites('diamond', cubeFaceCenters),
+    { id: 'diamond-tetra-a', x: 0.25, y: 0.25, z: 0.25, role: 'interior' },
+    { id: 'diamond-tetra-b', x: 0.75, y: 0.75, z: 0.25, role: 'interior' },
+    { id: 'diamond-tetra-c', x: 0.75, y: 0.25, z: 0.75, role: 'interior' },
+    { id: 'diamond-tetra-d', x: 0.25, y: 0.75, z: 0.75, role: 'interior' },
+  ],
+};

package/src/tool/crystal-lattice-structure-finder/structures/face-centered-cubic.ts

@@ -0,0 +1,16 @@
+import type { LatticeStructure } from '../data';
+import { cubeCorners, cubeEdges, cubeFaceCenters, cubeVertices, renamedSites } from './shared';
+
+export const faceCenteredCubic: LatticeStructure = {
+  id: 'face-centered-cubic',
+  name: 'Face-centered cubic',
+  shortName: 'FCC',
+  cellGeometry: 'cubic',
+  coordinationNumber: 12,
+  atomsPerCell: 4,
+  packingFactor: Math.PI / (3 * Math.sqrt(2)),
+  radiusToA: Math.sqrt(2) / 4,
+  vertices: cubeVertices,
+  edges: cubeEdges,
+  sites: [...cubeCorners('fcc'), ...renamedSites('fcc', cubeFaceCenters)],
+};

package/src/tool/crystal-lattice-structure-finder/structures/hexagonal-close-packed.ts

@@ -0,0 +1,30 @@
+import type { LatticeStructure } from '../data';
+import { hexEdges, hexVertices } from './shared';
+
+export const hexagonalClosePacked: LatticeStructure = {
+  id: 'hexagonal-close-packed',
+  name: 'Hexagonal close-packed',
+  shortName: 'HCP',
+  cellGeometry: 'hexagonal',
+  coordinationNumber: 12,
+  atomsPerCell: 6,
+  packingFactor: 0.74048,
+  radiusToA: 0.5,
+  cToA: 1.633,
+  vertices: hexVertices,
+  edges: hexEdges,
+  sites: [
+    ...hexVertices.map(([x, y, z], index) => ({
+      id: `hcp-boundary-${index}`,
+      x: (x + 1) / 2,
+      y: (y + 0.866) / 1.732,
+      z,
+      role: 'corner' as const,
+    })),
+    { id: 'hcp-center-bottom', x: 0.5, y: 0.5, z: 0, role: 'face' },
+    { id: 'hcp-center-top', x: 0.5, y: 0.5, z: 1, role: 'face' },
+    { id: 'hcp-interior-a', x: 0.33, y: 0.42, z: 0.5, role: 'interior' },
+    { id: 'hcp-interior-b', x: 0.67, y: 0.58, z: 0.5, role: 'interior' },
+    { id: 'hcp-interior-c', x: 0.5, y: 0.28, z: 0.5, role: 'interior' },
+  ],
+};

package/src/tool/crystal-lattice-structure-finder/structures/index.ts

@@ -0,0 +1,25 @@
+import { bodyCenteredCubic } from './body-centered-cubic';
+import { cesiumChloride } from './cesium-chloride';
+import { diamondCubic } from './diamond-cubic';
+import { faceCenteredCubic } from './face-centered-cubic';
+import { hexagonalClosePacked } from './hexagonal-close-packed';
+import { perovskite } from './perovskite';
+import { rockSalt } from './rock-salt';
+import { rutile } from './rutile';
+import { simpleCubic } from './simple-cubic';
+import { wurtzite } from './wurtzite';
+import { zincBlende } from './zinc-blende';
+
+export const LATTICE_STRUCTURES = [
+  simpleCubic,
+  bodyCenteredCubic,
+  faceCenteredCubic,
+  hexagonalClosePacked,
+  diamondCubic,
+  rockSalt,
+  cesiumChloride,
+  zincBlende,
+  wurtzite,
+  perovskite,
+  rutile,
+];

package/src/tool/crystal-lattice-structure-finder/structures/perovskite.ts

@@ -0,0 +1,20 @@
+import type { LatticeStructure } from '../data';
+import { cubeCorners, cubeEdges, cubeFaceCenters, cubeVertices, renamedSites } from './shared';
+
+export const perovskite: LatticeStructure = {
+  id: 'perovskite',
+  name: 'Cubic perovskite',
+  shortName: 'ABO3',
+  cellGeometry: 'cubic',
+  coordinationNumber: 6,
+  atomsPerCell: 1,
+  packingFactor: 0.64,
+  radiusToA: 0.5,
+  vertices: cubeVertices,
+  edges: cubeEdges,
+  sites: [
+    ...cubeCorners('perovskite'),
+    { id: 'perovskite-body-center', x: 0.5, y: 0.5, z: 0.5, role: 'interior' },
+    ...renamedSites('perovskite-oxygen', cubeFaceCenters),
+  ],
+};

package/src/tool/crystal-lattice-structure-finder/structures/rock-salt.ts

@@ -0,0 +1,23 @@
+import type { LatticeStructure } from '../data';
+import { cubeCorners, cubeEdges, cubeFaceCenters, cubeVertices, renamedSites } from './shared';
+
+export const rockSalt: LatticeStructure = {
+  id: 'rock-salt',
+  name: 'Rock salt',
+  shortName: 'NaCl',
+  cellGeometry: 'cubic',
+  coordinationNumber: 6,
+  atomsPerCell: 4,
+  packingFactor: 0.667,
+  radiusToA: 0.5,
+  vertices: cubeVertices,
+  edges: cubeEdges,
+  sites: [
+    ...cubeCorners('rock-salt'),
+    ...renamedSites('rock-salt', cubeFaceCenters),
+    { id: 'rock-salt-edge-a', x: 0.5, y: 0, z: 0, role: 'face' },
+    { id: 'rock-salt-edge-b', x: 0, y: 0.5, z: 0, role: 'face' },
+    { id: 'rock-salt-edge-c', x: 0, y: 0, z: 0.5, role: 'face' },
+    { id: 'rock-salt-center', x: 0.5, y: 0.5, z: 0.5, role: 'interior' },
+  ],
+};

package/src/tool/crystal-lattice-structure-finder/structures/rutile.ts

@@ -0,0 +1,25 @@
+import type { LatticeStructure } from '../data';
+import { cubeCorners, cubeEdges, cubeVertices } from './shared';
+
+export const rutile: LatticeStructure = {
+  id: 'rutile',
+  name: 'Rutile',
+  shortName: 'TiO2',
+  cellGeometry: 'tetragonal',
+  coordinationNumber: 6,
+  atomsPerCell: 2,
+  packingFactor: 0.58,
+  radiusToA: 0.31,
+  cToA: 0.644,
+  vertices: cubeVertices,
+  edges: cubeEdges,
+  sites: [
+    ...cubeCorners('rutile'),
+    { id: 'rutile-metal-a', x: 0, y: 0, z: 0, role: 'corner' },
+    { id: 'rutile-metal-b', x: 0.5, y: 0.5, z: 0.5, role: 'interior' },
+    { id: 'rutile-oxygen-a', x: 0.305, y: 0.305, z: 0, role: 'face' },
+    { id: 'rutile-oxygen-b', x: 0.695, y: 0.695, z: 0, role: 'face' },
+    { id: 'rutile-oxygen-c', x: 0.195, y: 0.805, z: 0.5, role: 'interior' },
+    { id: 'rutile-oxygen-d', x: 0.805, y: 0.195, z: 0.5, role: 'interior' },
+  ],
+};