cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1758862
title: Materials Data on K2NaAuF6 by Materials Project

description: K2NaAuF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent AuF6 octahedra. All K–F bond lengths are 3.10 Å. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent AuF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.24 Å. Au3+ is bonded to six equivalent F1- atoms to form AuF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–F bond lengths are 2.14 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+, one Na1+, and one Au3+ atom.
DOI: 10.17188/1758863
title: Materials Data on MgBi by Materials Project

description: MgBi crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to four Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.14–3.26 Å. In the second Mg site, Mg is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.10–3.40 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to six Mg atoms. In the second Bi site, Bi is bonded in a 4-coordinate geometry to four Mg atoms.
DOI: 10.17188/1758864
title: Materials Data on SiCCl3 by Materials Project

description: SiCCl3 is beta Polonium structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two SiCCl3 clusters. there are two inequivalent Si sites. In the first Si site, Si is bonded to one C and three Cl atoms to form corner-sharing SiCCl3 tetrahedra. The Si–C bond length is 1.89 Å. All Si–Cl bond lengths are 2.04 Å. In the second Si site, Si is bonded in a tetrahedral geometry to one C and three Cl atoms. The Si–C bond length is 1.90 Å. All Si–Cl bond lengths are 2.04 Å. There are three inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to two equivalent Si and one C atom. The C–C bond length is 1.31 Å. In the second C site, C is bonded in a distorted trigonal planar geometry to one Si and two C atoms. There is one shorter (1.33 Å) and one longer (1.49 Å) C–C bond length. In the third C site, C is bonded in a linear geometry to two C atoms. There are five inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Si atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Si atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Si atom. In the fourth Cl site, Cl is bonded in a single-bond geometry to one Si atom. In the fifth Cl site, Cl is bonded in a single-bond geometry to one Si atom.
DOI: 10.17188/1758865
title: Materials Data on Eu2Ta2O7 by Materials Project

description: Eu2Ta2O7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are four shorter (2.49 Å) and two longer (2.52 Å) Eu–O bond lengths. In the second Eu2+ site, Eu2+ is bonded to twelve O2- atoms to form EuO12 cuboctahedra that share corners with six equivalent EuO12 cuboctahedra, faces with four equivalent EuO12 cuboctahedra, and faces with eight TaO6 octahedra. There are a spread of Eu–O bond distances ranging from 2.63–2.86 Å. There are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with four TaO6 octahedra and faces with two equivalent EuO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 9–14°. There are a spread of Ta–O bond distances ranging from 1.91–2.12 Å. In the second Ta5+ site, Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six TaO6 octahedra and faces with six equivalent EuO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are a spread of Ta–O bond distances ranging from 1.94–2.06 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Eu2+ and one Ta5+ atom to form a mixture of distorted corner and edge-sharing OEu3Ta tetrahedra. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Eu2+ and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Eu2+ and two Ta5+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to three equivalent Eu2+ and two equivalent Ta5+ atoms. In the fifth O2- site, O2- is bonded in a distorted linear geometry to four equivalent Eu2+ and two equivalent Ta5+ atoms.
DOI: 10.17188/1758866
title: Materials Data on La2Zn5Sn by Materials Project

description: La2Zn5Sn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 11-coordinate geometry to thirteen Zn and two equivalent Sn atoms. There are a spread of La–Zn bond distances ranging from 3.19–3.34 Å. Both La–Sn bond lengths are 3.41 Å. In the second La site, La is bonded in a 6-coordinate geometry to ten Zn and four equivalent Sn atoms. There are a spread of La–Zn bond distances ranging from 3.27–3.67 Å. All La–Sn bond lengths are 3.37 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to four La and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.98 Å. In the second Zn site, Zn is bonded in a 1-coordinate geometry to five La, four Zn, and one Sn atom. The Zn–Zn bond length is 2.58 Å. The Zn–Sn bond length is 2.73 Å. In the third Zn site, Zn is bonded in a 1-coordinate geometry to five La, six Zn, and one Sn atom. The Zn–Sn bond length is 2.67 Å. Sn is bonded in a 9-coordinate geometry to six La and three Zn atoms.
DOI: 10.17188/1758867
title: Materials Data on ZrMnGe2 by Materials Project

description: ZrMnGe2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Zr–Ge bond distances ranging from 2.79–3.03 Å. In the second Zr site, Zr is bonded to seven Ge atoms to form a mixture of distorted edge and corner-sharing ZrGe7 pentagonal bipyramids. There are a spread of Zr–Ge bond distances ranging from 2.79–2.94 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.46–2.56 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.52–2.58 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to six Zr, two equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Zr, two equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.62 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to five Zr and four Mn atoms. In the fourth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Zr and four Mn atoms. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to three Zr, three Mn, and one Ge atom. The Ge–Ge bond length is 2.56 Å.
DOI: 10.17188/1758868
title: Materials Data on Na3B6BrO10 by Materials Project

description: Na3B6O10Br crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- and two equivalent Br1- atoms to form distorted NaBr2O4 octahedra that share corners with two equivalent NaBr2O4 octahedra and edges with two equivalent BO4 tetrahedra. The corner-sharing octahedral tilt angles are 69°. There are two shorter (2.43 Å) and two longer (2.59 Å) Na–O bond lengths. Both Na–Br bond lengths are 3.02 Å. In the second Na1+ site, Na1+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Br1- atoms. There are a spread of Na–O bond distances ranging from 2.54–2.91 Å. There are one shorter (3.22 Å) and one longer (3.43 Å) Na–Br bond lengths. In the third Na1+ site, Na1+ is bonded in a distorted square co-planar geometry to four O2- and two equivalent Br1- atoms. There are two shorter (2.32 Å) and two longer (2.55 Å) Na–O bond lengths. Both Na–Br bond lengths are 3.36 Å. There are four inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.36 Å) and two longer (1.38 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.38 Å) B–O bond length. In the third B3+ site, B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with two BO4 tetrahedra and an edgeedge with one NaBr2O4 octahedra. There are a spread of B–O bond distances ranging from 1.45–1.52 Å. In the fourth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.53 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Na1+ and two B3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the third O2- site, O2- is bonded to two Na1+ and two B3+ atoms to form distorted corner-sharing ONa2B2 tetrahedra. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three B3+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Na1+ and two B3+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two B3+ atoms. Br1- is bonded in a 6-coordinate geometry to six Na1+ atoms.
DOI: 10.17188/1758869
title: Materials Data on Mn3(ZnN)8 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: 10.17188/1758870
title: Materials Data on BaLaMn2O6 by Materials Project

description: BaLaMn2O6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, and faces with eight equivalent MnO6 octahedra. There are ten shorter (2.80 Å) and two longer (2.81 Å) Ba–O bond lengths. La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent MnO6 octahedra. There are ten shorter (2.80 Å) and two longer (2.81 Å) La–O bond lengths. Mn+3.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–O bond lengths are 1.98 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent La3+, and two equivalent Mn+3.50+ atoms. Both O–Mn bond lengths are 1.98 Å. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent La3+, and two equivalent Mn+3.50+ atoms. Both O–Mn bond lengths are 1.98 Å. In the third O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent La3+, and two equivalent Mn+3.50+ atoms. Both O–Mn bond lengths are 1.98 Å. In the fourth O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent La3+, and two equivalent Mn+3.50+ atoms. Both O–Mn bond lengths are 1.98 Å. In the fifth O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent La3+, and two equivalent Mn+3.50+ atoms. In the sixth O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent La3+, and two equivalent Mn+3.50+ atoms. In the seventh O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent La3+, and two equivalent Mn+3.50+ atoms. In the eighth O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent La3+, and two equivalent Mn+3.50+ atoms. In the ninth O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent La3+, and two equivalent Mn+3.50+ atoms. In the tenth O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent La3+, and two equivalent Mn+3.50+ atoms.
DOI: 10.17188/1758871
title: Materials Data on LiFeF3 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: 10.17188/1758872
title: Materials Data on Tm2C by Materials Project

description: Tm2C is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Tm2C sheets oriented in the (0, 0, 1) direction. Tm is bonded in a distorted T-shaped geometry to three equivalent C atoms. All Tm–C bond lengths are 2.44 Å. C is bonded to six equivalent Tm atoms to form edge-sharing CTm6 octahedra.
DOI: 10.17188/1758873
title: Materials Data on HgSeNO3 by Materials Project

description: (HgSeO3)2N2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four ammonia molecules and two HgSeO3 ribbons oriented in the (0, 1, 0) direction. In each HgSeO3 ribbon, Hg2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Hg–O bond distances ranging from 2.17–2.93 Å. Se1- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.73–1.75 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Hg2+ and one Se1- atom. In the second O2- site, O2- is bonded in a water-like geometry to one Hg2+ and one Se1- atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Hg2+ and one Se1- atom.
DOI: 10.17188/1758874
title: Materials Data on TiZn2Pt by Materials Project

description: TiPtZn2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TiPtZn2 ribbons oriented in the (1, 0, 0) direction. Ti is bonded in a linear geometry to two equivalent Zn atoms. Both Ti–Zn bond lengths are 2.68 Å. Pt is bonded in a linear geometry to two equivalent Zn atoms. Both Pt–Zn bond lengths are 2.40 Å. Zn is bonded in a linear geometry to one Ti and one Pt atom.
DOI: 10.17188/1758875
title: Materials Data on CeTh2O6 by Materials Project

description: Th2CeO6 is Fluorite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Th4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are seven shorter (2.42 Å) and one longer (2.45 Å) Th–O bond lengths. Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.37 Å) and six longer (2.40 Å) Ce–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Th4+ and one Ce4+ atom to form OCeTh3 tetrahedra that share corners with sixteen OCeTh3 tetrahedra and edges with six OCe3Th tetrahedra. In the second O2- site, O2- is bonded to one Th4+ and three equivalent Ce4+ atoms to form a mixture of edge and corner-sharing OCe3Th tetrahedra. In the third O2- site, O2- is bonded to four equivalent Th4+ atoms to form a mixture of edge and corner-sharing OTh4 tetrahedra.
DOI: 10.17188/1758876
title: Materials Data on K3VMo3H4O15 by Materials Project

description: K3VMo3H4O15 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.01 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.89–3.17 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.96–3.33 Å. V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.42 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.50 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.37 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one K1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a water-like geometry to two equivalent K1+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one V5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one V5+, and two equivalent Mo6+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one Mo6+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and two Mo6+ atoms. In the tenth O2- site, O2- is bonded to two equivalent V5+ and three Mo6+ atoms to form distorted edge-sharing OV2Mo3 square pyramids.
DOI: 10.17188/1758877
title: Materials Data on LiFe4(BO3)4 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: 10.17188/1758881
title: Materials Data on LaZnFeAgO6 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: 10.17188/1758882
title: Materials Data on C by Materials Project

description: C crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two phenanthrene molecules. there are fourteen inequivalent C sites. In the first C site, C is bonded in a bent 120 degrees geometry to two C atoms. There is one shorter (1.28 Å) and one longer (1.40 Å) C–C bond length. In the second C site, C is bonded in a bent 120 degrees geometry to two C atoms. The C–C bond length is 1.32 Å. In the third C site, C is bonded in a bent 120 degrees geometry to two C atoms. The C–C bond length is 1.27 Å. In the fourth C site, C is bonded in a bent 120 degrees geometry to two C atoms. The C–C bond length is 1.39 Å. In the fifth C site, C is bonded in a bent 120 degrees geometry to two C atoms. There is one shorter (1.27 Å) and one longer (1.39 Å) C–C bond length. In the sixth C site, C is bonded in a bent 120 degrees geometry to two C atoms. The C–C bond length is 1.32 Å. In the seventh C site, C is bonded in a bent 120 degrees geometry to two C atoms. The C–C bond length is 1.28 Å. In the eighth C site, C is bonded in a bent 120 degrees geometry to two C atoms. The C–C bond length is 1.40 Å. In the ninth C site, C is bonded in a bent 120 degrees geometry to two C atoms. There is one shorter (1.24 Å) and one longer (1.39 Å) C–C bond length. In the tenth C site, C is bonded in a bent 120 degrees geometry to two C atoms. The C–C bond length is 1.39 Å. In the eleventh C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.56 Å. In the twelfth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.45 Å. In the thirteenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.56 Å. In the fourteenth C site, C is bonded in a trigonal planar geometry to three C atoms.
DOI: 10.6073/pasta/88bcbaca9a95c36e8b409e462e9175de
title: SBC LTER: Reef: Kelp Forest Community Dynamics: Invertebrate and algal density

description: These data describe the density and size of a select group of about 50 species of benthic invertebrates and understory algae in fixed plots (either 1m x 1m or 20m x 1m) along permanent transects. These data are part of SBCLTER’s kelp forest monitoring program to track long-term patterns in species abundance and diversity of reef-associated organisms in the Santa Barbara Channel, California, USA. The sampling locations in this dataset are at nine reef sites along the mainland coast of the Santa Barbara Channel and at two sites on the north side of Santa Cruz Island. These sites reflect several oceanographic regimes in the channel and vary in distance from sources of terrestrial runoff. Sampling began in 2000, and these data are updated annually. The time period of data collection varied among the 11 kelp forest sites. Sampling at BULL, CARP, and NAPL began in 2000, sampling at the other 6 mainland sites (AHND, AQUE, IVEE, GOLB, ABUR, MOHK) began in 2001 (transects 3, 5, 6, 7, 8 at IVEE were added in 2011). Data collection at the two Santa Cruz Island sites (SCTW and SCDI) began in 2004. See Methods for more information. See Methods for more information.
DOI: 10.17188/1758884
title: Materials Data on SrMg by Materials Project

description: SrMg is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sr is bonded to four equivalent Mg atoms to form corner-sharing SrMg4 tetrahedra. All Sr–Mg bond lengths are 3.40 Å. Mg is bonded to four equivalent Sr atoms to form corner-sharing MgSr4 tetrahedra.
DOI: 10.17188/1758886
title: Materials Data on Cs3CeCl6 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