cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1283928
title: Materials Data on CuS2 by Materials Project

description: CuS2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Cu3+ is bonded to four equivalent S+1.50- atoms to form corner-sharing CuS4 tetrahedra. There are two shorter (2.24 Å) and two longer (2.31 Å) Cu–S bond lengths. S+1.50- is bonded in a 2-coordinate geometry to two equivalent Cu3+ and one S+1.50- atom. The S–S bond length is 2.02 Å.
DOI: 10.17188/1283931
title: Materials Data on HCl by Materials Project

description: HCl is Zincblende, Sphalerite structured and crystallizes in the orthorhombic Imm2 space group. The structure is zero-dimensional and consists of two hydrochloric acid molecules. H1+ is bonded in a single-bond geometry to one Cl1- atom. The H–Cl bond length is 1.28 Å. Cl1- is bonded in a single-bond geometry to one H1+ atom.
DOI: 10.17188/1283932
title: Materials Data on Bi2O3 by Materials Project

description: Bi2O3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.26–2.66 Å. In the second Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.20–2.75 Å. In the third Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.73 Å. In the fourth Bi3+ site, Bi3+ is bonded to five O2- atoms to form corner-sharing BiO5 trigonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.23–2.38 Å. In the fifth Bi3+ site, Bi3+ is bonded to five O2- atoms to form corner-sharing BiO5 trigonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.24–2.37 Å. In the sixth Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.81 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the second O2- site, O2- is bonded to four Bi3+ atoms to form distorted corner-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi3+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the fifth O2- site, O2- is bonded to four Bi3+ atoms to form distorted corner-sharing OBi4 tetrahedra. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi3+ atoms. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to three Bi3+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the ninth O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi3+ atoms.
DOI: 10.17188/1283936
title: Materials Data on Zr10C9 by Materials Project

description: Zr10C9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are five inequivalent Zr+3.60+ sites. In the first Zr+3.60+ site, Zr+3.60+ is bonded to six C4- atoms to form ZrC6 octahedra that share corners with three ZrC6 octahedra, corners with three equivalent ZrC5 square pyramids, edges with four ZrC6 octahedra, and edges with eight ZrC5 square pyramids. The corner-sharing octahedra tilt angles range from 1–2°. There are a spread of Zr–C bond distances ranging from 2.34–2.42 Å. In the second Zr+3.60+ site, Zr+3.60+ is bonded to five C4- atoms to form ZrC5 square pyramids that share corners with two equivalent ZrC6 octahedra, corners with seven ZrC5 square pyramids, edges with six ZrC6 octahedra, and edges with two ZrC5 square pyramids. The corner-sharing octahedra tilt angles range from 2–3°. There are a spread of Zr–C bond distances ranging from 2.26–2.41 Å. In the third Zr+3.60+ site, Zr+3.60+ is bonded to five C4- atoms to form ZrC5 square pyramids that share a cornercorner with one ZrC6 octahedra, corners with eight ZrC5 square pyramids, edges with five ZrC6 octahedra, and edges with three ZrC5 square pyramids. The corner-sharing octahedral tilt angles are 2°. There are a spread of Zr–C bond distances ranging from 2.28–2.38 Å. In the fourth Zr+3.60+ site, Zr+3.60+ is bonded to five C4- atoms to form ZrC5 square pyramids that share corners with four ZrC6 octahedra, corners with five ZrC5 square pyramids, edges with four ZrC6 octahedra, and edges with four ZrC5 square pyramids. The corner-sharing octahedra tilt angles range from 1–4°. There are a spread of Zr–C bond distances ranging from 2.24–2.39 Å. In the fifth Zr+3.60+ site, Zr+3.60+ is bonded to six C4- atoms to form ZrC6 octahedra that share corners with two equivalent ZrC6 octahedra, corners with four ZrC5 square pyramids, edges with five ZrC6 octahedra, and edges with seven ZrC5 square pyramids. The corner-sharing octahedra tilt angles range from 1–2°. There are a spread of Zr–C bond distances ranging from 2.35–2.41 Å. There are five inequivalent C4- sites. In the first C4- site, C4- is bonded to six Zr+3.60+ atoms to form a mixture of corner and edge-sharing CZr6 octahedra. The corner-sharing octahedra tilt angles range from 1–5°. In the second C4- site, C4- is bonded to six Zr+3.60+ atoms to form a mixture of corner and edge-sharing CZr6 octahedra. The corner-sharing octahedra tilt angles range from 1–4°. In the third C4- site, C4- is bonded to six Zr+3.60+ atoms to form a mixture of corner and edge-sharing CZr6 octahedra. The corner-sharing octahedra tilt angles range from 2–5°. In the fourth C4- site, C4- is bonded to six Zr+3.60+ atoms to form a mixture of corner and edge-sharing CZr6 octahedra. The corner-sharing octahedra tilt angles range from 1–4°. In the fifth C4- site, C4- is bonded to six Zr+3.60+ atoms to form a mixture of corner and edge-sharing CZr6 octahedra. The corner-sharing octahedra tilt angles range from 1–5°.
DOI: 10.17188/1283938
title: Materials Data on Ce13O24 (SG:1) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1283940
title: Materials Data on UO3 by Materials Project

description: UO3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are five inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share a cornercorner with one UO8 hexagonal bipyramid and corners with five UO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of U–O bond distances ranging from 2.06–2.10 Å. In the second U6+ site, U6+ is bonded to eight O2- atoms to form UO8 hexagonal bipyramids that share corners with two equivalent UO8 hexagonal bipyramids, a cornercorner with one UO6 octahedra, and edges with two equivalent UO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 1°. There are a spread of U–O bond distances ranging from 2.10–2.39 Å. In the third U6+ site, U6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 1.94–2.72 Å. In the fourth U6+ site, U6+ is bonded to five O2- atoms to form distorted UO5 trigonal bipyramids that share a cornercorner with one UO6 octahedra and corners with four equivalent UO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 2°. There are a spread of U–O bond distances ranging from 2.06–2.21 Å. In the fifth U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with five UO6 octahedra and a cornercorner with one UO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of U–O bond distances ranging from 2.06–2.11 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two U6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two U6+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two U6+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two U6+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent U6+ atoms. In the sixth O2- site, O2- is bonded in a linear geometry to two equivalent U6+ atoms. In the seventh O2- site, O2- is bonded in a linear geometry to two equivalent U6+ atoms. In the eighth O2- site, O2- is bonded in a linear geometry to two equivalent U6+ atoms. In the ninth O2- site, O2- is bonded in a linear geometry to two equivalent U6+ atoms. In the tenth O2- site, O2- is bonded in a linear geometry to two equivalent U6+ atoms. In the eleventh O2- site, O2- is bonded in a linear geometry to two equivalent U6+ atoms. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one O2- atom. The O–O bond length is 1.48 Å. In the thirteenth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent U6+ and one O2- atom. In the fourteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three U6+ atoms.
DOI: 10.17188/1283941
title: Materials Data on MoCl3 by Materials Project

description: MoCl3 is Aluminum trichloride-like structured and crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four MoCl3 sheets oriented in the (0, 0, 1) direction. Mo3+ is bonded to six Cl1- atoms to form edge-sharing MoCl6 octahedra. There are a spread of Mo–Cl bond distances ranging from 2.46–2.49 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Mo3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Mo3+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Mo3+ atoms.
DOI: 10.17188/1283942
title: Materials Data on Fe2S by Materials Project

description: FeFeS crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are fourteen inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted bent 150 degrees geometry to two S atoms. There are one shorter (2.23 Å) and one longer (2.28 Å) Fe–S bond lengths. In the second Fe site, Fe is bonded in a 2-coordinate geometry to three S atoms. There are a spread of Fe–S bond distances ranging from 2.30–2.64 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to four S atoms. There are a spread of Fe–S bond distances ranging from 2.26–2.62 Å. In the fourth Fe site, Fe is bonded in a 3-coordinate geometry to three S atoms. There are a spread of Fe–S bond distances ranging from 2.30–2.32 Å. In the fifth Fe site, Fe is bonded in a 3-coordinate geometry to three S atoms. There are a spread of Fe–S bond distances ranging from 2.15–2.21 Å. In the sixth Fe site, Fe is bonded in a 3-coordinate geometry to three S atoms. There are one shorter (2.23 Å) and two longer (2.29 Å) Fe–S bond lengths. In the seventh Fe site, Fe is bonded in a 3-coordinate geometry to three S atoms. There are one shorter (2.28 Å) and two longer (2.37 Å) Fe–S bond lengths. In the eighth Fe site, Fe is bonded in a 3-coordinate geometry to three S atoms. All Fe–S bond lengths are 2.25 Å. In the ninth Fe site, Fe is bonded in a 3-coordinate geometry to three S atoms. There are two shorter (2.24 Å) and one longer (2.34 Å) Fe–S bond lengths. In the tenth Fe site, Fe is bonded in a 4-coordinate geometry to four S atoms. There are a spread of Fe–S bond distances ranging from 2.25–2.56 Å. In the eleventh Fe site, Fe is bonded in a 3-coordinate geometry to three S atoms. There are a spread of Fe–S bond distances ranging from 2.32–2.48 Å. In the twelfth Fe site, Fe is bonded in a distorted trigonal non-coplanar geometry to three S atoms. There are a spread of Fe–S bond distances ranging from 2.16–2.20 Å. In the thirteenth Fe site, Fe is bonded in a distorted rectangular see-saw-like geometry to four S atoms. There are a spread of Fe–S bond distances ranging from 2.20–2.22 Å. In the fourteenth Fe site, Fe is bonded in a 1-coordinate geometry to three equivalent S atoms. There are a spread of Fe–S bond distances ranging from 2.34–2.60 Å. There are seven inequivalent S sites. In the first S site, S is bonded in a 5-coordinate geometry to five Fe atoms. In the second S site, S is bonded in a 5-coordinate geometry to five Fe atoms. In the third S site, S is bonded in a 7-coordinate geometry to seven Fe atoms. In the fourth S site, S is bonded in a 6-coordinate geometry to six Fe atoms. In the fifth S site, S is bonded in a 7-coordinate geometry to seven Fe atoms. In the sixth S site, S is bonded in a 6-coordinate geometry to six Fe atoms. In the seventh S site, S is bonded in a 5-coordinate geometry to eight Fe atoms.
DOI: 10.6084/m9.figshare.13667789
title: 3 tables for Analysing Teaching needs to Develop Digital Technology Innovation for Learning Process Post COVID-19 Outbreak

description: Table 1: Teaching Needs, Developing of Innovative Digital Technology, Analyse of Teaching and Learning Process(Reliability and Correlation) -- valid<br>Table 2. Descriptive Statistics of Frequency of Online Learning or Learning by Technology.<br>Table 3. Relationship between X1, X2, X3 and YX1- Teaching NeedX2- Development Digital TechnologyX3- Analysing Teaching needs by using digital technologyY - Learning Process<br><br>
DOI: 10.6084/m9.figshare.13667789.v1
title: 3 tables for Analysing Teaching needs to Develop Digital Technology Innovation for Learning Process Post COVID-19 Outbreak

description: Table 1: Teaching Needs, Developing of Innovative Digital Technology, Analyse of Teaching and Learning Process(Reliability and Correlation) -- valid<br>Table 2. Descriptive Statistics of Frequency of Online Learning or Learning by Technology.<br>Table 3. Relationship between X1, X2, X3 and YX1- Teaching NeedX2- Development Digital TechnologyX3- Analysing Teaching needs by using digital technologyY - Learning Process<br><br>
DOI: 10.17188/1283943
title: Materials Data on SN by Materials Project

description: NS crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of four NS clusters and four NS ribbons oriented in the (1, 0, 0) direction. In two of the NS clusters, N1+ is bonded in a single-bond geometry to one S1- atom. The N–S bond length is 1.48 Å. S1- is bonded in a single-bond geometry to one N1+ atom. In two of the NS clusters, there are three inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a distorted single-bond geometry to one S1- atom. The N–S bond length is 1.61 Å. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S1- atoms. There is one shorter (1.60 Å) and one longer (1.61 Å) N–S bond length. In the third N1+ site, N1+ is bonded in a bent 150 degrees geometry to two S1- atoms. There is one shorter (1.57 Å) and one longer (1.60 Å) N–S bond length. There are three inequivalent S1- sites. In the first S1- site, S1- is bonded in a water-like geometry to two N1+ atoms. In the second S1- site, S1- is bonded in a bent 120 degrees geometry to two N1+ atoms. In the third S1- site, S1- is bonded in a distorted single-bond geometry to one N1+ atom. In one of the NS ribbons, there are four inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S1- atoms. There is one shorter (1.58 Å) and one longer (1.69 Å) N–S bond length. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S1- atoms. There is one shorter (1.59 Å) and one longer (1.69 Å) N–S bond length. In the third N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S1- atoms. There is one shorter (1.59 Å) and one longer (1.72 Å) N–S bond length. In the fourth N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S1- atoms. There is one shorter (1.59 Å) and one longer (1.72 Å) N–S bond length. There are four inequivalent S1- sites. In the first S1- site, S1- is bonded in a distorted trigonal non-coplanar geometry to three N1+ atoms. In the second S1- site, S1- is bonded in a distorted trigonal non-coplanar geometry to three N1+ atoms. In the third S1- site, S1- is bonded in a distorted single-bond geometry to one N1+ atom. In the fourth S1- site, S1- is bonded in a distorted single-bond geometry to one N1+ atom. In three of the NS ribbons, there are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a bent 150 degrees geometry to two S1- atoms. There is one shorter (1.59 Å) and one longer (1.62 Å) N–S bond length. In the second N1+ site, N1+ is bonded in a bent 150 degrees geometry to two S1- atoms. There is one shorter (1.59 Å) and one longer (1.62 Å) N–S bond length. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a bent 120 degrees geometry to two N1+ atoms. In the second S1- site, S1- is bonded in a bent 120 degrees geometry to two N1+ atoms.
DOI: 10.17188/1283944
title: Materials Data on BeF2 by Materials Project

description: BeF2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one BeF2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded in a trigonal planar geometry to three F1- atoms. There are a spread of Be–F bond distances ranging from 1.41–1.54 Å. In the second Be2+ site, Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There is two shorter (1.56 Å) and two longer (1.57 Å) Be–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. In the second F1- site, F1- is bonded in a linear geometry to two Be2+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Be2+ atoms.
DOI: 10.17188/1283945
title: Materials Data on Cu2Se by Materials Project

description: Cu2Se crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three equivalent Se2- atoms. There are one shorter (2.41 Å) and two longer (2.45 Å) Cu–Se bond lengths. In the second Cu1+ site, Cu1+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.43–2.56 Å. Se2- is bonded in a 7-coordinate geometry to seven Cu1+ atoms.
DOI: 10.17188/1283946
title: Materials Data on Bi2O3 (SG:1) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1283947
title: Materials Data on Pd7O8 (SG:10) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1283948
title: Materials Data on I by Materials Project

description: I is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is zero-dimensional and consists of two hydriodic acid molecules. I is bonded in a 8-coordinate geometry to atoms.
DOI: 10.17188/1283949
title: Materials Data on GaSb by Materials Project

description: GaSb crystallizes in the triclinic P1 space group. The structure is three-dimensional. Ga3+ is bonded to six equivalent Sb3- atoms to form distorted GaSb6 octahedra that share corners with twelve equivalent SbGa6Sb2 hexagonal bipyramids, corners with six equivalent GaSb6 octahedra, and edges with twelve equivalent GaSb6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Ga–Sb bond distances ranging from 2.89–3.11 Å. Sb3- is bonded to six equivalent Ga3+ and two equivalent Sb3- atoms to form distorted SbGa6Sb2 hexagonal bipyramids that share corners with eight equivalent SbGa6Sb2 hexagonal bipyramids, corners with twelve equivalent GaSb6 octahedra, and edges with twelve equivalent SbGa6Sb2 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 59–121°. Both Sb–Sb bond lengths are 3.11 Å.
DOI: 10.17188/1283950
title: Materials Data on CaC2 by Materials Project

description: CaC2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent C1- atoms to form CaC6 octahedra that share corners with eight equivalent CaC6 octahedra, corners with six equivalent CCa3C tetrahedra, and edges with two equivalent CaC6 octahedra. The corner-sharing octahedral tilt angles are 75°. All Ca–C bond lengths are 2.62 Å. C1- is bonded to three equivalent Ca2+ and one C1- atom to form CCa3C tetrahedra that share corners with three equivalent CaC6 octahedra, corners with thirteen equivalent CCa3C tetrahedra, and an edgeedge with one CCa3C tetrahedra. The corner-sharing octahedra tilt angles range from 64–65°. The C–C bond length is 1.26 Å.
DOI: 10.17188/1283951
title: Materials Data on PtCl2 by Materials Project

description: PtCl2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one PtCl2 ribbon oriented in the (1, 0, 0) direction. Pt2+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Pt–Cl bond distances ranging from 2.27–2.52 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three equivalent Pt2+ atoms.
DOI: 10.17188/1283952
title: Materials Data on S by Materials Project

description: S is Copper structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. S is bonded to twelve equivalent S atoms to form a mixture of corner, edge, and face-sharing SS12 cuboctahedra. All S–S bond lengths are 2.82 Å.
DOI: 10.17188/1283954
title: Materials Data on V12P7 by Materials Project

description: V12P7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are four inequivalent V sites. In the first V site, V is bonded in a 5-coordinate geometry to five P atoms. There are a spread of V–P bond distances ranging from 2.48–2.63 Å. In the second V site, V is bonded in a 5-coordinate geometry to five P atoms. There are a spread of V–P bond distances ranging from 2.42–2.53 Å. In the third V site, V is bonded in a 4-coordinate geometry to four P atoms. There are a spread of V–P bond distances ranging from 2.33–2.43 Å. In the fourth V site, V is bonded in a 5-coordinate geometry to five P atoms. There are a spread of V–P bond distances ranging from 2.36–2.42 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 8-coordinate geometry to eight V atoms. In the second P site, P is bonded in a 8-coordinate geometry to eight V atoms. In the third P site, P is bonded in a 9-coordinate geometry to nine V atoms.
DOI: 10.17188/1283957
title: Materials Data on H2O by Materials Project

description: H2O crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of three hydrogen molecules, one hydrogen peroxide hydrate molecule, nine water molecules, one water molecule, and one water molecule.