cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1689561
title: Materials Data on SrTb2Fe2O7 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: 10.17188/1689565
title: Materials Data on Fe2S2O13 by Materials Project

description: (FeSO5)4(O2)3 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of three oxygen molecules and one FeSO5 ribbon oriented in the (0, 1, 0) direction. In the FeSO5 ribbon, there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to five O atoms to form distorted FeO5 trigonal bipyramids that share corners with two equivalent FeO4 tetrahedra, corners with three SO4 tetrahedra, and an edgeedge with one FeO5 trigonal bipyramid. There are a spread of Fe–O bond distances ranging from 1.94–2.01 Å. In the second Fe site, Fe is bonded to four O atoms to form FeO4 tetrahedra that share corners with two SO4 tetrahedra and corners with two equivalent FeO5 trigonal bipyramids. There are a spread of Fe–O bond distances ranging from 1.70–1.94 Å. There are two inequivalent S sites. In the first S site, S is bonded to four O atoms to form SO4 tetrahedra that share a cornercorner with one FeO4 tetrahedra and a cornercorner with one FeO5 trigonal bipyramid. There are a spread of S–O bond distances ranging from 1.45–1.55 Å. In the second S site, S is bonded to four O atoms to form SO4 tetrahedra that share a cornercorner with one FeO4 tetrahedra and corners with two equivalent FeO5 trigonal bipyramids. There are a spread of S–O bond distances ranging from 1.45–1.52 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Fe atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Fe and one S atom. In the third O site, O is bonded in a single-bond geometry to one S atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Fe and one S atom. In the fifth O site, O is bonded in a single-bond geometry to one S atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Fe and one S atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one Fe and one S atom. In the eighth O site, O is bonded in a single-bond geometry to one S atom. In the ninth O site, O is bonded in a bent 150 degrees geometry to one Fe and one S atom. In the tenth O site, O is bonded in a trigonal planar geometry to three Fe atoms.
DOI: 10.17188/1689567
title: Materials Data on Mn2N by Materials Project

description: Mn2N is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Mn2N sheet oriented in the (0, 0, 1) direction. Mn is bonded in a distorted T-shaped geometry to three equivalent N atoms. All Mn–N bond lengths are 1.98 Å. N is bonded to six equivalent Mn atoms to form edge-sharing NMn6 octahedra.
DOI: 10.17188/1689568
title: Materials Data on Th2CuTe6 by Materials Project

description: Th2CuTe6 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded in a 8-coordinate geometry to eight Te+1.67- atoms. There are a spread of Th–Te bond distances ranging from 3.20–3.36 Å. In the second Th4+ site, Th4+ is bonded in a 8-coordinate geometry to eight Te+1.67- atoms. There are a spread of Th–Te bond distances ranging from 3.19–3.35 Å. Cu2+ is bonded to four Te+1.67- atoms to form corner-sharing CuTe4 tetrahedra. There are three shorter (2.60 Å) and one longer (2.61 Å) Cu–Te bond lengths. There are six inequivalent Te+1.67- sites. In the first Te+1.67- site, Te+1.67- is bonded to four Th4+ atoms to form a mixture of distorted edge and corner-sharing TeTh4 trigonal pyramids. In the second Te+1.67- site, Te+1.67- is bonded to four Th4+ atoms to form a mixture of distorted edge and corner-sharing TeTh4 trigonal pyramids. In the third Te+1.67- site, Te+1.67- is bonded in a 3-coordinate geometry to two equivalent Th4+ and one Cu2+ atom. In the fourth Te+1.67- site, Te+1.67- is bonded in a distorted L-shaped geometry to two equivalent Th4+ atoms. In the fifth Te+1.67- site, Te+1.67- is bonded in a 3-coordinate geometry to two equivalent Th4+ and one Cu2+ atom. In the sixth Te+1.67- site, Te+1.67- is bonded in a 2-coordinate geometry to two equivalent Th4+ and two equivalent Cu2+ atoms.
DOI: 10.17188/1689569
title: Materials Data on Cs2NaSbI6 by Materials Project

description: Cs2NaSbI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, faces with four equivalent NaI6 octahedra, and faces with four equivalent SbI6 octahedra. All Cs–I bond lengths are 4.39 Å. Na1+ is bonded to six equivalent I1- atoms to form NaI6 octahedra that share corners with six equivalent SbI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–I bond lengths are 3.17 Å. Sb3+ is bonded to six equivalent I1- atoms to form SbI6 octahedra that share corners with six equivalent NaI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–I bond lengths are 3.03 Å. I1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Na1+, and one Sb3+ atom.
DOI: 10.17188/1689570
title: Materials Data on Sr3Th by Materials Project

description: Sr3Th is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to eight Sr and four equivalent Th atoms to form distorted SrSr8Th4 cuboctahedra that share corners with twelve equivalent SrSr8Th4 cuboctahedra, edges with eight equivalent ThSr12 cuboctahedra, edges with sixteen SrSr8Th4 cuboctahedra, faces with four equivalent ThSr12 cuboctahedra, and faces with fourteen SrSr8Th4 cuboctahedra. There are four shorter (4.00 Å) and four longer (4.07 Å) Sr–Sr bond lengths. All Sr–Th bond lengths are 4.00 Å. In the second Sr site, Sr is bonded to eight equivalent Sr and four equivalent Th atoms to form SrSr8Th4 cuboctahedra that share corners with four equivalent SrSr8Th4 cuboctahedra, corners with eight equivalent ThSr12 cuboctahedra, edges with twenty-four SrSr8Th4 cuboctahedra, faces with six equivalent ThSr12 cuboctahedra, and faces with twelve SrSr8Th4 cuboctahedra. All Sr–Th bond lengths are 4.07 Å. Th is bonded to twelve Sr atoms to form ThSr12 cuboctahedra that share corners with four equivalent ThSr12 cuboctahedra, corners with eight equivalent SrSr8Th4 cuboctahedra, edges with eight equivalent ThSr12 cuboctahedra, edges with sixteen equivalent SrSr8Th4 cuboctahedra, faces with four equivalent ThSr12 cuboctahedra, and faces with fourteen SrSr8Th4 cuboctahedra.
DOI: 10.17188/1689571
title: Materials Data on U2PtC2 by Materials Project

description: U2PtC2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U5+ is bonded to five equivalent C4- atoms to form a mixture of distorted edge and corner-sharing UC5 square pyramids. There are one shorter (2.29 Å) and four longer (2.50 Å) U–C bond lengths. Pt2- is bonded in a linear geometry to two equivalent C4- atoms. Both Pt–C bond lengths are 2.11 Å. C4- is bonded to five equivalent U5+ and one Pt2- atom to form a mixture of edge and corner-sharing CU5Pt octahedra. The corner-sharing octahedra tilt angles range from 0–11°.
DOI: 10.17188/1689572
title: Materials Data on CoTe(PbO3)2 by Materials Project

description: Pb2CoTeO6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 14–18°. There are four shorter (2.13 Å) and two longer (2.14 Å) Co–O bond lengths. Pb2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Pb–O bond distances ranging from 2.61–3.16 Å. Te4+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 14–18°. There is two shorter (1.95 Å) and four longer (1.96 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Co4+, four equivalent Pb2+, and one Te4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Co4+, four equivalent Pb2+, and one Te4+ atom.
DOI: 10.17188/1689573
title: Materials Data on NaMnIO6 by Materials Project

description: NaMnO6I is Hydrophilite-derived structured and crystallizes in the trigonal P312 space group. The structure is three-dimensional. Na is bonded to six equivalent O atoms to form NaO6 octahedra that share corners with six equivalent MnO6 octahedra and corners with six equivalent IO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. All Na–O bond lengths are 2.51 Å. Mn is bonded to six equivalent O atoms to form MnO6 octahedra that share corners with six equivalent NaO6 octahedra and edges with three equivalent IO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Mn–O bond lengths are 1.94 Å. O is bonded in a distorted trigonal planar geometry to one Na, one Mn, and one I atom. The O–I bond length is 1.91 Å. I is bonded to six equivalent O atoms to form IO6 octahedra that share corners with six equivalent NaO6 octahedra and edges with three equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 52°.
DOI: 10.17188/1689574
title: Materials Data on Zr3CoSe6 by Materials Project

description: Zr3CoSe6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Zr+3.33+ sites. In the first Zr+3.33+ site, Zr+3.33+ is bonded to six equivalent Se2- atoms to form ZrSe6 octahedra that share corners with six equivalent CoSe6 octahedra and edges with six equivalent ZrSe6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Zr–Se bond lengths are 2.72 Å. In the second Zr+3.33+ site, Zr+3.33+ is bonded to six equivalent Se2- atoms to form ZrSe6 octahedra that share corners with three equivalent CoSe6 octahedra, edges with six ZrSe6 octahedra, and a faceface with one CoSe6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are three shorter (2.72 Å) and three longer (2.73 Å) Zr–Se bond lengths. Co2+ is bonded to six equivalent Se2- atoms to form CoSe6 octahedra that share corners with twelve ZrSe6 octahedra and faces with two equivalent ZrSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–49°. All Co–Se bond lengths are 2.56 Å. Se2- is bonded in a rectangular see-saw-like geometry to three Zr+3.33+ and one Co2+ atom.
DOI: 10.17188/1689575
title: Materials Data on AmV2O2 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: 10.17188/1689576
title: Materials Data on Rb2ScHgF6 by Materials Project

description: Rb2ScHgF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent ScF6 octahedra, and faces with four equivalent HgF6 octahedra. All Rb–F bond lengths are 3.28 Å. Sc2+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent HgF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–F bond lengths are 2.03 Å. Hg2+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent ScF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.59 Å. F1- is bonded in a 1-coordinate geometry to four equivalent Rb1+, one Sc2+, and one Hg2+ atom.
DOI: 10.17188/1689577
title: Materials Data on ZrMnSi2 by Materials Project

description: ZrMnSi2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are a spread of Zr–Si bond distances ranging from 2.74–2.91 Å. In the second Zr4+ site, Zr4+ is bonded to seven Si4- atoms to form ZrSi7 pentagonal bipyramids that share corners with two equivalent MnSi6 octahedra, corners with two equivalent ZrSi7 pentagonal bipyramids, edges with three equivalent ZrSi7 pentagonal bipyramids, and faces with two equivalent MnSi6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Zr–Si bond distances ranging from 2.71–2.84 Å. There are two inequivalent Mn4+ sites. In the first Mn4+ site, Mn4+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are a spread of Mn–Si bond distances ranging from 2.35–2.50 Å. In the second Mn4+ site, Mn4+ is bonded to six Si4- atoms to form distorted MnSi6 octahedra that share corners with two equivalent ZrSi7 pentagonal bipyramids, edges with two equivalent MnSi6 octahedra, and faces with two equivalent ZrSi7 pentagonal bipyramids. There are two shorter (2.45 Å) and four longer (2.47 Å) Mn–Si bond lengths. There are five inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six Zr4+, two equivalent Mn4+, and one Si4- atom. The Si–Si bond length is 2.48 Å. In the second Si4- site, Si4- is bonded in a 2-coordinate geometry to four equivalent Zr4+ and two equivalent Mn4+ atoms. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to five Zr4+ and four Mn4+ atoms. In the fourth Si4- site, Si4- is bonded in a 6-coordinate geometry to two equivalent Zr4+ and four Mn4+ atoms. In the fifth Si4- site, Si4- is bonded in a 7-coordinate geometry to three Zr4+, three Mn4+, and one Si4- atom. The Si–Si bond length is 2.36 Å.
DOI: 10.17188/1689578
title: Materials Data on Fe2O3F 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: 10.17188/1689579
title: Materials Data on Li2MnSiO4 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: 10.17188/1689580
title: Materials Data on Yb3Dy by Materials Project

description: Yb3Dy is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Dy atoms to form YbYb8Dy4 cuboctahedra that share corners with four equivalent DyYb12 cuboctahedra, corners with fourteen equivalent YbYb8Dy4 cuboctahedra, edges with six equivalent DyYb12 cuboctahedra, edges with twelve equivalent YbYb8Dy4 cuboctahedra, faces with four equivalent DyYb12 cuboctahedra, and faces with sixteen equivalent YbYb8Dy4 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.67–3.85 Å. There are two shorter (3.69 Å) and two longer (3.76 Å) Yb–Dy bond lengths. Dy is bonded to twelve equivalent Yb atoms to form DyYb12 cuboctahedra that share corners with six equivalent DyYb12 cuboctahedra, corners with twelve equivalent YbYb8Dy4 cuboctahedra, edges with eighteen equivalent YbYb8Dy4 cuboctahedra, faces with eight equivalent DyYb12 cuboctahedra, and faces with twelve equivalent YbYb8Dy4 cuboctahedra.
DOI: 10.17188/1689581
title: Materials Data on Nd2O3 by Materials Project

description: Nd2O3 crystallizes in the orthorhombic Pmmm space group. The structure is two-dimensional and consists of one NdO ribbon oriented in the (0, 1, 0) direction and one NdO2 sheet oriented in the (0, 0, 1) direction. In the NdO ribbon, Nd3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Nd–O bond lengths are 2.29 Å. O2- is bonded in a linear geometry to two equivalent Nd3+ atoms. In the NdO2 sheet, Nd3+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.24 Å) and two longer (2.29 Å) Nd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Nd3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Nd3+ atoms.
DOI: 10.17188/1689582
title: Materials Data on Sn4P3NO12 by Materials Project

description: Sn4P3NO12 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. there are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.09–2.13 Å. In the second Sn3+ site, Sn3+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sn–O bond lengths are 2.11 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. N3- is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.95 Å) and three longer (3.12 Å) N–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn3+, one P5+, and one N3- atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Sn3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Sn3+, one P5+, and one N3- atom.
DOI: 10.17188/1689583
title: Materials Data on Rb2MoSO4 by Materials Project

description: Rb2MoO4S crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of six hydrogen sulfide molecules and three Rb2MoO4 sheets oriented in the (0, 0, 1) direction. In each Rb2MoO4 sheet, there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 3.01–3.20 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.95 Å) and three longer (3.58 Å) Rb–O bond lengths. Mo2+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Mo–O bond lengths are 1.78 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one Mo2+ atom. In the second O2- site, O2- is bonded to four Rb1+ atoms to form corner-sharing ORb4 trigonal pyramids.
DOI: 10.6084/m9.figshare.13675546
title: Extended data Table 6

description: <b><i>BBS9</i> alleles </b>
DOI: 10.17188/1689584
title: Materials Data on CrP2H14C9O4 by Materials Project

description: Cr(CO)4C5P2H14 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four bis(dimethylphosphino)methane molecules and four Cr(CO)4 clusters. In each Cr(CO)4 cluster, Cr3+ is bonded in a rectangular see-saw-like geometry to four C+2.11- atoms. There are a spread of Cr–C bond distances ranging from 1.86–1.89 Å. There are four inequivalent C+2.11- sites. In the first C+2.11- site, C+2.11- is bonded in a linear geometry to one Cr3+ and one O2- atom. The C–O bond length is 1.18 Å. In the second C+2.11- site, C+2.11- is bonded in a linear geometry to one Cr3+ and one O2- atom. The C–O bond length is 1.17 Å. In the third C+2.11- site, C+2.11- is bonded in a linear geometry to one Cr3+ and one O2- atom. The C–O bond length is 1.17 Å. In the fourth C+2.11- site, C+2.11- is bonded in a linear geometry to one Cr3+ and one O2- atom. The C–O bond length is 1.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.11- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.11- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.11- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.11- atom.
DOI: 10.17188/1689585
title: Materials Data on Ho2Ga8Fe by Materials Project

description: Ho2FeGa8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ho is bonded to twelve Ga atoms to form HoGa12 cuboctahedra that share corners with eight equivalent HoGa12 cuboctahedra, edges with four equivalent GaHo4Ga8 cuboctahedra, faces with four equivalent GaHo4Ga8 cuboctahedra, and faces with five equivalent HoGa12 cuboctahedra. There are a spread of Ho–Ga bond distances ranging from 2.99–3.03 Å. Fe is bonded in a body-centered cubic geometry to eight Ga atoms. All Fe–Ga bond lengths are 2.47 Å. There are six inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Ho and four equivalent Ga atoms. All Ga–Ga bond lengths are 3.07 Å. In the second Ga site, Ga is bonded to four equivalent Ho and eight Ga atoms to form distorted GaHo4Ga8 cuboctahedra that share corners with eight equivalent GaHo4Ga8 cuboctahedra, edges with four equivalent HoGa12 cuboctahedra, faces with four equivalent HoGa12 cuboctahedra, and faces with five equivalent GaHo4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.95 Å. In the third Ga site, Ga is bonded in a 11-coordinate geometry to two equivalent Ho, two equivalent Fe, and seven Ga atoms. There are one shorter (2.54 Å) and four longer (3.00 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to two equivalent Ho, two equivalent Fe, and seven Ga atoms. The Ga–Ga bond length is 2.54 Å. In the fifth Ga site, Ga is bonded in a 11-coordinate geometry to two equivalent Ho, two equivalent Fe, and seven Ga atoms. Both Ga–Ho bond lengths are 2.99 Å. There are two shorter (2.95 Å) and four longer (3.00 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded in a 11-coordinate geometry to two equivalent Ho, two equivalent Fe, and seven Ga atoms. Both Ga–Ho bond lengths are 2.99 Å. Both Ga–Ga bond lengths are 2.95 Å.
DOI: 10.6084/m9.figshare.13675540
title: Extended data Table 5

description: <b><i>WDR19</i> alleles</b>
DOI: 10.17188/1689586
title: Materials Data on Pr3Br by Materials Project

description: Pr3Br crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded in a distorted see-saw-like geometry to four equivalent Br atoms. There are two shorter (3.47 Å) and two longer (3.61 Å) Pr–Br bond lengths. Br is bonded to twelve equivalent Pr atoms to form a mixture of face and corner-sharing BrPr12 cuboctahedra.
DOI: 10.17188/1689587
title: Materials Data on Sr2FeWO6 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: 10.6084/m9.figshare.13675471
title: Extended Data Table 3

description: <b><i>TMEM231</i> alleles</b>