cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1719452
title: Materials Data on Er2SbO2 by Materials Project

description: Er2SbO2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Er3+ is bonded in a 4-coordinate geometry to four equivalent Sb2- and four equivalent O2- atoms. There are two shorter (3.41 Å) and two longer (3.60 Å) Er–Sb bond lengths. There are one shorter (2.20 Å) and three longer (2.21 Å) Er–O bond lengths. Sb2- is bonded in a body-centered cubic geometry to eight equivalent Er3+ atoms. O2- is bonded to four equivalent Er3+ atoms to form a mixture of corner and edge-sharing OEr4 tetrahedra.
DOI: 10.17188/1719453
title: Materials Data on MgSc2Zn by Materials Project

description: MgSc2Zn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgSc2Zn ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to two equivalent Sc atoms. Both Mg–Sc bond lengths are 3.08 Å. Sc is bonded in a linear geometry to one Mg and one Zn atom. The Sc–Zn bond length is 2.78 Å. Zn is bonded in a linear geometry to two equivalent Sc atoms.
DOI: 10.17188/1719455
title: Materials Data on Sr4Mn3BO10 by Materials Project

description: Sr4Mn3BO3O7 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.63–3.21 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.59–2.88 Å. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to five O2- atoms to form corner-sharing MnO5 trigonal bipyramids. There are a spread of Mn–O bond distances ranging from 1.93–2.20 Å. In the second Mn3+ site, Mn3+ is bonded to five O2- atoms to form corner-sharing MnO5 square pyramids. There are a spread of Mn–O bond distances ranging from 1.93–2.07 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.39 Å) and one longer (1.43 Å) B–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Mn3+, and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Sr2+ and one B3+ atom. In the third O2- site, O2- is bonded to four Sr2+ and two Mn3+ atoms to form a mixture of distorted edge and corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 5°. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to four Sr2+ and two equivalent Mn3+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to four Sr2+ and two equivalent Mn3+ atoms. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two equivalent Mn3+ atoms.
DOI: 10.17188/1719456
title: Materials Data on Mg3Si4 by Materials Project

description: Mg3Si4 is Magnesium tetraboride-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.88–3.18 Å. In the second Mg site, Mg is bonded in a 5-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.71–3.21 Å. In the third Mg site, Mg is bonded in a 6-coordinate geometry to one Mg and six Si atoms. The Mg–Mg bond length is 2.92 Å. There are a spread of Mg–Si bond distances ranging from 2.94–3.11 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to one Mg and nine Si atoms. There are a spread of Mg–Si bond distances ranging from 2.76–3.14 Å. In the fifth Mg site, Mg is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.70–2.95 Å. In the sixth Mg site, Mg is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.70–3.01 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Mg and one Si atom. The Si–Si bond length is 2.59 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to five Mg and three Si atoms. There are one shorter (2.43 Å) and one longer (2.44 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 6-coordinate geometry to four Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.39–2.51 Å. In the fourth Si site, Si is bonded in a 8-coordinate geometry to four Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.44–2.63 Å. In the fifth Si site, Si is bonded in a 10-coordinate geometry to six Mg and four Si atoms. There are one shorter (2.70 Å) and one longer (2.72 Å) Si–Si bond lengths. In the sixth Si site, Si is bonded in a 7-coordinate geometry to four Mg and three Si atoms. In the seventh Si site, Si is bonded in a 8-coordinate geometry to five Mg and three Si atoms. In the eighth Si site, Si is bonded in a 8-coordinate geometry to six Mg and two equivalent Si atoms.
DOI: 10.17188/1719458
title: Materials Data on Eu3As4 by Materials Project

description: Eu3As4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight As+1.50- atoms. There are a spread of Eu–As bond distances ranging from 3.12–3.23 Å. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight As+1.50- atoms. There are a spread of Eu–As bond distances ranging from 3.12–3.26 Å. There are two inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded in a 7-coordinate geometry to six Eu2+ and one As+1.50- atom. The As–As bond length is 2.53 Å. In the second As+1.50- site, As+1.50- is bonded in a 8-coordinate geometry to six Eu2+ and two As+1.50- atoms. The As–As bond length is 2.63 Å.
DOI: 10.17188/1719459
title: Materials Data on Rb2LiRhCl6 by Materials Project

description: Rb2LiRhCl6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with six equivalent RbCl12 cuboctahedra, corners with three equivalent LiCl6 octahedra, corners with three equivalent RhCl6 octahedra, faces with eight equivalent RbCl12 cuboctahedra, faces with three equivalent LiCl6 octahedra, and faces with three equivalent RhCl6 octahedra. The corner-sharing octahedra tilt angles range from 12–20°. There are a spread of Rb–Cl bond distances ranging from 3.57–3.88 Å. Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with two equivalent RhCl6 octahedra. All Li–Cl bond lengths are 2.54 Å. Rh3+ is bonded to six equivalent Cl1- atoms to form RhCl6 octahedra that share corners with six equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with two equivalent LiCl6 octahedra. All Rh–Cl bond lengths are 2.37 Å. Cl1- is bonded in a 2-coordinate geometry to four equivalent Rb1+, one Li1+, and one Rh3+ atom.
DOI: 10.17188/1719460
title: Materials Data on SmGaPt by Materials Project

description: SmPtGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 1-coordinate geometry to five equivalent Pt and six equivalent Ga atoms. There are a spread of Sm–Pt bond distances ranging from 2.96–3.14 Å. There are a spread of Sm–Ga bond distances ranging from 3.13–3.29 Å. Pt is bonded in a 9-coordinate geometry to five equivalent Sm and four equivalent Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.63–2.78 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Pt atoms.
DOI: 10.17188/1719461
title: Materials Data on Mn3SbN by Materials Project

description: Mn3SbN is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a linear geometry to four equivalent Sb3- and two equivalent N3- atoms. All Mn–Sb bond lengths are 2.77 Å. Both Mn–N bond lengths are 1.95 Å. In the second Mn2+ site, Mn2+ is bonded in a linear geometry to four equivalent Sb3- and two equivalent N3- atoms. All Mn–Sb bond lengths are 2.76 Å. Both Mn–N bond lengths are 1.96 Å. Sb3- is bonded to twelve Mn2+ atoms to form SbMn12 cuboctahedra that share corners with twelve equivalent SbMn12 cuboctahedra, faces with six equivalent SbMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. N3- is bonded to six Mn2+ atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent SbMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1719462
title: Materials Data on Ir2S3 by Materials Project

description: Ir2S3 is Corundum-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ir3+ is bonded to six S2- atoms to form a mixture of edge, corner, and face-sharing IrS6 octahedra. The corner-sharing octahedra tilt angles range from 49–71°. There are a spread of Ir–S bond distances ranging from 2.33–2.43 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Ir3+ atoms to form a mixture of distorted edge and corner-sharing SIr4 tetrahedra. In the second S2- site, S2- is bonded to four equivalent Ir3+ atoms to form a mixture of distorted edge and corner-sharing SIr4 trigonal pyramids.
DOI: 10.17188/1719463
title: Materials Data on LaEuB12 by Materials Project

description: EuLaB12 is Calcium hexaboride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Eu3+ is bonded in a 1-coordinate geometry to twenty-four B+0.50- atoms. All Eu–B bond lengths are 3.05 Å. La3+ is bonded in a 8-coordinate geometry to twenty-four B+0.50- atoms. All La–B bond lengths are 3.05 Å. There are three inequivalent B+0.50- sites. In the first B+0.50- site, B+0.50- is bonded in a 1-coordinate geometry to two equivalent Eu3+, two equivalent La3+, and five B+0.50- atoms. There is one shorter (1.66 Å) and four longer (1.76 Å) B–B bond length. In the second B+0.50- site, B+0.50- is bonded in a 1-coordinate geometry to four equivalent La3+ and five B+0.50- atoms. The B–B bond length is 1.66 Å. In the third B+0.50- site, B+0.50- is bonded in a 1-coordinate geometry to four equivalent Eu3+ and five B+0.50- atoms. The B–B bond length is 1.66 Å.
DOI: 10.17188/1719464
title: Materials Data on Sm3AlFeS7 by Materials Project

description: Sm3FeAlS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Sm3+ is bonded to seven S2- atoms to form distorted SmS7 pentagonal bipyramids that share a cornercorner with one FeS6 octahedra, corners with six equivalent SmS7 pentagonal bipyramids, corners with two equivalent AlS4 tetrahedra, an edgeedge with one FeS6 octahedra, edges with four equivalent SmS7 pentagonal bipyramids, an edgeedge with one AlS4 tetrahedra, and a faceface with one FeS6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are a spread of Sm–S bond distances ranging from 2.83–3.01 Å. Fe2+ is bonded to six equivalent S2- atoms to form FeS6 octahedra that share corners with three equivalent SmS7 pentagonal bipyramids, edges with three equivalent SmS7 pentagonal bipyramids, faces with two equivalent FeS6 octahedra, and faces with three equivalent SmS7 pentagonal bipyramids. There are three shorter (2.46 Å) and three longer (2.56 Å) Fe–S bond lengths. Al3+ is bonded to four S2- atoms to form AlS4 tetrahedra that share corners with six equivalent SmS7 pentagonal bipyramids and edges with three equivalent SmS7 pentagonal bipyramids. There are one shorter (2.24 Å) and three longer (2.26 Å) Al–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Sm3+ and two equivalent Fe2+ atoms to form distorted SSm3Fe2 square pyramids that share corners with two equivalent SSm3Fe2 square pyramids, corners with three equivalent SSm3Al tetrahedra, edges with four equivalent SSm3Fe2 square pyramids, and faces with two equivalent SSm3Fe2 square pyramids. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Sm3+ and one Al3+ atom. In the third S2- site, S2- is bonded to three equivalent Sm3+ and one Al3+ atom to form distorted corner-sharing SSm3Al tetrahedra.
DOI: 10.17188/1719465
title: Materials Data on BiPO4 by Materials Project

description: BiPO4 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.29–2.77 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Bi3+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Bi3+ and one P5+ atom.
DOI: 10.17188/1719466
title: Materials Data on RbSb3 by Materials Project

description: RbSb3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb1+ is bonded in a 11-coordinate geometry to eleven Sb+0.33- atoms. There are a spread of Rb–Sb bond distances ranging from 3.30–3.61 Å. There are two inequivalent Sb+0.33- sites. In the first Sb+0.33- site, Sb+0.33- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Sb+0.33- atom. The Sb–Sb bond length is 2.91 Å. In the second Sb+0.33- site, Sb+0.33- is bonded in a trigonal planar geometry to three equivalent Rb1+ atoms.
DOI: 10.17188/1719467
title: Materials Data on PrAs2Pd3 by Materials Project

description: PrPd3As2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 11-coordinate geometry to eleven Pd and six As atoms. There are a spread of Pr–Pd bond distances ranging from 3.25–3.64 Å. There are a spread of Pr–As bond distances ranging from 3.17–3.28 Å. In the second Pr site, Pr is bonded to six Pd and six As atoms to form PrAs6Pd6 cuboctahedra that share edges with four equivalent PdPr4As4Pd4 cuboctahedra and faces with two equivalent PrAs6Pd6 cuboctahedra. There are four shorter (3.19 Å) and two longer (3.22 Å) Pr–Pd bond lengths. There are two shorter (3.21 Å) and four longer (3.22 Å) Pr–As bond lengths. There are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to three Pr, five Pd, and four As atoms. There are a spread of Pd–Pd bond distances ranging from 2.86–3.02 Å. There are two shorter (2.58 Å) and two longer (2.67 Å) Pd–As bond lengths. In the second Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent Pr, five Pd, and four As atoms. There are two shorter (2.97 Å) and two longer (2.98 Å) Pd–Pd bond lengths. There are a spread of Pd–As bond distances ranging from 2.45–2.71 Å. In the third Pd site, Pd is bonded in a 12-coordinate geometry to three Pr, five Pd, and four As atoms. The Pd–Pd bond length is 2.80 Å. There are a spread of Pd–As bond distances ranging from 2.50–2.77 Å. In the fourth Pd site, Pd is bonded to four equivalent Pr, four equivalent Pd, and four As atoms to form distorted PdPr4As4Pd4 cuboctahedra that share edges with four equivalent PrAs6Pd6 cuboctahedra and faces with two equivalent PdPr4As4Pd4 cuboctahedra. There are two shorter (2.49 Å) and two longer (2.76 Å) Pd–As bond lengths. In the fifth Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent Pr, one Pd, and four As atoms. There are a spread of Pd–As bond distances ranging from 2.52–2.62 Å. There are three inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to three Pr and six Pd atoms. In the second As site, As is bonded in a 9-coordinate geometry to four Pr and five Pd atoms. In the third As site, As is bonded in a 9-coordinate geometry to two equivalent Pr and seven Pd atoms.
DOI: 10.17188/1719468
title: Materials Data on Li3Cr4(PO4)6 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: 10.17188/1719469
title: Materials Data on Nb4Ag2O11 by Materials Project

description: Ag2Nb4O11 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Nb–O bond distances ranging from 1.97–2.50 Å. In the second Nb5+ site, Nb5+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Nb–O bond distances ranging from 1.97–2.51 Å. In the third Nb5+ site, Nb5+ is bonded to seven O2- atoms to form distorted corner-sharing NbO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 45–47°. There are a spread of Nb–O bond distances ranging from 1.90–2.33 Å. In the fourth Nb5+ site, Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. There are a spread of Nb–O bond distances ranging from 1.91–2.16 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ag–O bond distances ranging from 2.57–2.89 Å. In the second Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ag–O bond distances ranging from 2.59–2.94 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Nb5+ and two Ag1+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Nb5+ and two Ag1+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three Nb5+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to three Nb5+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Nb5+ and one Ag1+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Nb5+ and one Ag1+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to three Nb5+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two Nb5+ and two Ag1+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Nb5+ and two Ag1+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to two Nb5+ and two Ag1+ atoms. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to two Nb5+ and two Ag1+ atoms.
DOI: 10.17188/1719470
title: Materials Data on CsRb2BiF6 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: 10.17188/1719471
title: Materials Data on LiZn13 by Materials Project

description: Li(Zn)13 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional and consists of eight lithium molecules and one Zn framework. In the Zn framework, there are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a cuboctahedral geometry to twelve equivalent Zn atoms. All Zn–Zn bond lengths are 2.66 Å. In the second Zn site, Zn is bonded in a 10-coordinate geometry to ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.93 Å.
DOI: 10.17188/1719472
title: Materials Data on Mg16TaAl12 by Materials Project

description: Mg16TaAl12 is gamma-brass-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to three equivalent Mg, one Ta, and twelve Al atoms. All Mg–Mg bond lengths are 3.12 Å. The Mg–Ta bond length is 3.02 Å. There are a spread of Mg–Al bond distances ranging from 3.15–3.23 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. There are two shorter (3.02 Å) and one longer (3.04 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 3.08–3.12 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to six Mg, one Ta, and five Al atoms. There are four shorter (3.12 Å) and two longer (3.17 Å) Mg–Mg bond lengths. The Mg–Ta bond length is 3.03 Å. There are a spread of Mg–Al bond distances ranging from 2.90–3.09 Å. In the fourth Mg site, Mg is bonded in a 3-coordinate geometry to seven Mg, one Ta, and five Al atoms. There are two shorter (3.11 Å) and two longer (3.13 Å) Mg–Mg bond lengths. The Mg–Ta bond length is 3.56 Å. There are a spread of Mg–Al bond distances ranging from 2.85–3.18 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. Both Mg–Mg bond lengths are 3.15 Å. There are a spread of Mg–Al bond distances ranging from 2.91–3.15 Å. Ta is bonded in a 10-coordinate geometry to seven Mg and six equivalent Al atoms. All Ta–Al bond lengths are 2.96 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. There are one shorter (2.72 Å) and two longer (2.78 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. Both Al–Al bond lengths are 2.73 Å. In the third Al site, Al is bonded in a distorted q6 geometry to seven Mg, one Ta, and three Al atoms. There are one shorter (2.63 Å) and one longer (2.67 Å) Al–Al bond lengths.
DOI: 10.17188/1719474
title: Materials Data on La2CoO4 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: 10.17188/1719475
title: Materials Data on AlBi(WO4)2 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