cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1697135
title: Materials Data on Tb4GaSbS9 by Materials Project

description: Tb4GaSbS9 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. there are four inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Tb–S bond distances ranging from 2.72–3.03 Å. In the second Tb3+ site, Tb3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Tb–S bond distances ranging from 2.73–2.86 Å. In the third Tb3+ site, Tb3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Tb–S bond distances ranging from 2.73–2.84 Å. In the fourth Tb3+ site, Tb3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Tb–S bond distances ranging from 2.71–2.81 Å. Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.29–2.33 Å. Sb3+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.48–2.86 Å. There are ten inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to two equivalent Ga3+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to two Tb3+ and one Ga3+ atom. In the third S2- site, S2- is bonded to four Tb3+ atoms to form distorted STb4 trigonal pyramids that share a cornercorner with one STb3Ga tetrahedra, corners with four STb4 trigonal pyramids, an edgeedge with one STb3Ga tetrahedra, and edges with two STb4 trigonal pyramids. In the fourth S2- site, S2- is bonded to four Tb3+ atoms to form distorted STb4 trigonal pyramids that share a cornercorner with one STb3Ga tetrahedra, corners with four STb4 trigonal pyramids, an edgeedge with one STb3Ga tetrahedra, and edges with two STb4 trigonal pyramids. In the fifth S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Tb3+ atoms. In the sixth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Tb3+ and one Sb3+ atom. In the seventh S2- site, S2- is bonded to four Tb3+ atoms to form distorted STb4 trigonal pyramids that share a cornercorner with one STb3Ga tetrahedra, corners with four STb4 trigonal pyramids, an edgeedge with one STb3Ga tetrahedra, and edges with two STb4 trigonal pyramids. In the eighth S2- site, S2- is bonded in a 3-coordinate geometry to one Tb3+ and two equivalent Sb3+ atoms. In the ninth S2- site, S2- is bonded in a 4-coordinate geometry to two Tb3+, one Ga3+, and one Sb3+ atom. In the tenth S2- site, S2- is bonded to three Tb3+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing STb3Ga tetrahedra.
DOI: 10.17188/1697136
title: Materials Data on HoMgPd by Materials Project

description: MgHoPd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four Pd atoms. There are two shorter (2.74 Å) and two longer (2.88 Å) Mg–Pd bond lengths. Ho is bonded in a 5-coordinate geometry to five Pd atoms. There are four shorter (3.03 Å) and one longer (3.08 Å) Ho–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Ho atoms. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Ho atoms.
DOI: 10.17188/1697137
title: Materials Data on Ba2AlCuF9 by Materials Project

description: Ba2CuAlF9 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Ba–F bond distances ranging from 2.66–3.13 Å. In the second Ba2+ site, Ba2+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Ba–F bond distances ranging from 2.66–3.15 Å. Cu2+ is bonded to five F1- atoms to form distorted CuF5 trigonal bipyramids that share corners with two equivalent AlF6 octahedra. The corner-sharing octahedra tilt angles range from 38–46°. There are a spread of Cu–F bond distances ranging from 1.89–2.07 Å. Al3+ is bonded to six F1- atoms to form AlF6 octahedra that share corners with two equivalent CuF5 trigonal bipyramids. There are a spread of Al–F bond distances ranging from 1.77–1.89 Å. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three Ba2+ and one Cu2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two Ba2+ and one Al3+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to three Ba2+ and one Cu2+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to three Ba2+ and one Al3+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one Cu2+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one Al3+ atom. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Ba2+, one Cu2+, and one Al3+ atom. In the eighth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one Al3+ atom. In the ninth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Cu2+, and one Al3+ atom.
DOI: 10.17188/1697138
title: Materials Data on ZnRe2(MoS4)2 by Materials Project

description: ZnMo2Re2S8 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Mo4+ is bonded to six S2- atoms to form distorted MoS6 pentagonal pyramids that share corners with three equivalent ZnS4 tetrahedra, edges with four equivalent ReS6 octahedra, and edges with two equivalent MoS6 pentagonal pyramids. There are a spread of Mo–S bond distances ranging from 2.35–2.61 Å. Re3+ is bonded to six S2- atoms to form distorted ReS6 octahedra that share corners with three equivalent ZnS4 tetrahedra, edges with two equivalent ReS6 octahedra, and edges with four equivalent MoS6 pentagonal pyramids. There are a spread of Re–S bond distances ranging from 2.34–2.55 Å. Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with six equivalent ReS6 octahedra and corners with six equivalent MoS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 65°. There are two shorter (2.30 Å) and two longer (2.34 Å) Zn–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to one Mo4+, two equivalent Re3+, and one Zn2+ atom to form a mixture of distorted edge and corner-sharing SZnRe2Mo tetrahedra. In the second S2- site, S2- is bonded to two equivalent Mo4+, one Re3+, and one Zn2+ atom to form a mixture of distorted edge and corner-sharing SZnReMo2 tetrahedra. In the third S2- site, S2- is bonded in a 3-coordinate geometry to one Mo4+ and two equivalent Re3+ atoms. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Mo4+ and one Re3+ atom.
DOI: 10.17188/1697139
title: Materials Data on Y11Sn10 by Materials Project

description: Sn10Y11 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Y sites. In the first Y site, Y is bonded to seven Sn atoms to form a mixture of distorted corner, edge, and face-sharing YSn7 pentagonal bipyramids. There are a spread of Y–Sn bond distances ranging from 3.08–3.47 Å. In the second Y site, Y is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Y–Sn bond distances ranging from 2.94–3.59 Å. In the third Y site, Y is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Y–Sn bond distances ranging from 3.42–3.84 Å. In the fourth Y site, Y is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Y–Sn bond distances ranging from 3.08–3.29 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to eight Y atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to nine Y atoms. In the third Sn site, Sn is bonded in a 11-coordinate geometry to seven Y and four Sn atoms. There are two shorter (3.02 Å) and two longer (3.27 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a 8-coordinate geometry to eight Y atoms. In the fifth Sn site, Sn is bonded in a 2-coordinate geometry to eight Y and two Sn atoms. The Sn–Sn bond length is 2.91 Å.
DOI: 10.17188/1697140
title: Materials Data on MgGaCo2 by Materials Project

description: MgCo2Ga crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgCo2Ga ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to two equivalent Co atoms. Both Mg–Co bond lengths are 2.67 Å. Co is bonded in a linear geometry to one Mg and one Ga atom. The Co–Ga bond length is 2.37 Å. Ga is bonded in a linear geometry to two equivalent Co atoms.
DOI: 10.17188/1697141
title: Materials Data on EuInPd by Materials Project

description: EuPdIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Eu is bonded in a 11-coordinate geometry to five Pd and six equivalent In atoms. There are one shorter (3.14 Å) and four longer (3.16 Å) Eu–Pd bond lengths. There are two shorter (3.38 Å) and four longer (3.48 Å) Eu–In bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Eu and six equivalent In atoms. All Pd–In bond lengths are 2.87 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent In atoms. All Pd–In bond lengths are 2.93 Å. In is bonded in a 12-coordinate geometry to six equivalent Eu and four Pd atoms.
DOI: 10.17188/1697142
title: Materials Data on Al(SiO3)2 by Materials Project

description: Al(SiO3)2 is quartz (beta)-derived structured and crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. Al is bonded to four equivalent O atoms to form AlO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.75 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent AlO4 tetrahedra and corners with two equivalent SiO4 tetrahedra. There is two shorter (1.61 Å) and two longer (1.63 Å) Si–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the second O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom.
DOI: 10.17188/1697143
title: Materials Data on Mn(N3O8)2 by Materials Project

description: MnO8N2(NO2)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules; eight hydroxylamine, n-hydroxy- molecules; and two MnO8 clusters. In each MnO8 cluster, Mn2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.97–2.39 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Mn2+ and one O2- atom. The O–O bond length is 1.33 Å. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn2+ and one O2- atom. The O–O bond length is 1.23 Å. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Mn2+ and one O2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one O2- atom.
DOI: 10.17188/1697145
title: Materials Data on Cd2C9Br7N3 by Materials Project

description: CdBr3CdC9N3Br4 crystallizes in the hexagonal P6_3mc space group. The structure is one-dimensional and consists of two CdC9N3Br4 clusters and one CdBr3 ribbon oriented in the (0, 0, 1) direction. In each CdC9N3Br4 cluster, Cd2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are three shorter (2.63 Å) and one longer (2.67 Å) Cd–Br bond lengths. There are two inequivalent C+1.33+ sites. In the first C+1.33+ site, C+1.33+ is bonded in a single-bond geometry to one N3- and two equivalent Br1- atoms. The C–N bond length is 1.23 Å. Both C–Br bond lengths are 2.71 Å. In the second C+1.33+ site, C+1.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.50 Å. N3- is bonded in a 1-coordinate geometry to three C+1.33+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Cd2+ atom. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to one Cd2+ and two equivalent C+1.33+ atoms. In the CdBr3 ribbon, Cd2+ is bonded to six equivalent Br1- atoms to form face-sharing CdBr6 octahedra. There are three shorter (2.79 Å) and three longer (2.80 Å) Cd–Br bond lengths. Br1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms.
DOI: 10.17188/1697146
title: Materials Data on Zn3FeS4 by Materials Project

description: FeZn3S4 is Chalcopyrite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Fe2+ is bonded to four S2- atoms to form FeS4 tetrahedra that share corners with six equivalent FeS4 tetrahedra and corners with six ZnS4 tetrahedra. There are one shorter (2.33 Å) and three longer (2.35 Å) Fe–S bond lengths. There are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with three equivalent FeS4 tetrahedra and corners with nine ZnS4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.36 Å) Zn–S bond lengths. In the second Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.35 Å. In the third Zn2+ site, Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with three equivalent FeS4 tetrahedra and corners with nine ZnS4 tetrahedra. There are three shorter (2.35 Å) and one longer (2.36 Å) Zn–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the second S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the third S2- site, S2- is bonded to three equivalent Fe2+ and one Zn2+ atom to form corner-sharing SZnFe3 tetrahedra. In the fourth S2- site, S2- is bonded to one Fe2+ and three equivalent Zn2+ atoms to form corner-sharing SZn3Fe tetrahedra.
DOI: 10.17188/1697147
title: Materials Data on CuPS3 by Materials Project

description: CuPS3 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and corners with four equivalent PS4 tetrahedra. All Cu–S bond lengths are 2.32 Å. P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and an edgeedge with one PS4 tetrahedra. There are two shorter (2.04 Å) and two longer (2.14 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to two equivalent P5+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to two equivalent Cu1+ and one P5+ atom.
DOI: 10.17188/1697149
title: Materials Data on Dy2CoGe6 by Materials Project

description: Dy2CoGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.99–3.22 Å. In the second Dy site, Dy is bonded in a 4-coordinate geometry to four equivalent Co and ten Ge atoms. All Dy–Co bond lengths are 3.12 Å. There are a spread of Dy–Ge bond distances ranging from 3.03–3.33 Å. Co is bonded in a 9-coordinate geometry to four equivalent Dy and five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.28–2.35 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Dy, two equivalent Co, and five Ge atoms. There are one shorter (2.51 Å) and four longer (2.85 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Dy and five Ge atoms. All Ge–Ge bond lengths are 2.85 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Dy, two equivalent Co, and five Ge atoms. The Ge–Ge bond length is 2.52 Å. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Dy and five Ge atoms. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to six Dy, one Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.57 Å. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Dy and two equivalent Ge atoms.
DOI: 10.17188/1697150
title: Materials Data on K2ScCuF6 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: 10.17188/1697152
title: Materials Data on Na4Eu2P4Pb by Materials Project

description: Na4Eu2PbP4 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three P3- atoms. There are a spread of Na–P bond distances ranging from 2.86–3.13 Å. In the second Na1+ site, Na1+ is bonded to four P3- atoms to form distorted NaP4 trigonal pyramids that share corners with three equivalent EuP5 square pyramids, corners with two equivalent PbP4 tetrahedra, corners with four NaP4 trigonal pyramids, an edgeedge with one EuP5 square pyramid, and an edgeedge with one PbP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.83–3.29 Å. In the third Na1+ site, Na1+ is bonded to four P3- atoms to form distorted NaP4 trigonal pyramids that share corners with three equivalent EuP5 square pyramids, corners with two equivalent PbP4 tetrahedra, corners with four NaP4 trigonal pyramids, an edgeedge with one EuP5 square pyramid, and an edgeedge with one PbP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.83–3.14 Å. In the fourth Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Na–P bond distances ranging from 2.92–3.34 Å. There are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to five P3- atoms to form distorted EuP5 square pyramids that share corners with two equivalent EuP5 square pyramids, a cornercorner with one PbP4 tetrahedra, corners with six NaP4 trigonal pyramids, edges with two equivalent PbP4 tetrahedra, and edges with two NaP4 trigonal pyramids. There are a spread of Eu–P bond distances ranging from 2.96–3.32 Å. In the second Eu3+ site, Eu3+ is bonded in a 6-coordinate geometry to six P3- atoms. There are a spread of Eu–P bond distances ranging from 2.91–3.63 Å. Pb2+ is bonded to four P3- atoms to form PbP4 tetrahedra that share a cornercorner with one EuP5 square pyramid, corners with four NaP4 trigonal pyramids, edges with two equivalent EuP5 square pyramids, and edges with two NaP4 trigonal pyramids. There are a spread of Pb–P bond distances ranging from 2.61–2.70 Å. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded in a 7-coordinate geometry to three Na1+, three Eu3+, and one Pb2+ atom. In the second P3- site, P3- is bonded in a 8-coordinate geometry to four Na1+, three Eu3+, and one Pb2+ atom. In the third P3- site, P3- is bonded in a 7-coordinate geometry to four Na1+, two equivalent Eu3+, and one Pb2+ atom. In the fourth P3- site, P3- is bonded in a 7-coordinate geometry to four Na1+, three Eu3+, and one Pb2+ atom.
DOI: 10.17188/1697154
title: Materials Data on Y2Hf2O7 by Materials Project

description: Y2Hf2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Y3+ is bonded to six O2- atoms to form distorted YO6 pentagonal pyramids that share corners with four equivalent HfO5 trigonal bipyramids, edges with three equivalent YO6 pentagonal pyramids, and edges with two equivalent HfO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.22–2.37 Å. Hf4+ is bonded to five O2- atoms to form distorted HfO5 trigonal bipyramids that share corners with four equivalent YO6 pentagonal pyramids, a cornercorner with one HfO5 trigonal bipyramid, edges with two equivalent YO6 pentagonal pyramids, and an edgeedge with one HfO5 trigonal bipyramid. There are a spread of Hf–O bond distances ranging from 1.95–2.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Y3+ and one Hf4+ atom. In the second O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Hf4+ atoms to form distorted edge-sharing OY2Hf2 trigonal pyramids. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Hf4+ atoms.
DOI: 10.17188/1697155
title: Materials Data on MgGa by Materials Project

description: MgGa is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Mg–Ga bond lengths are 2.91 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1697156
title: Materials Data on La2MgFeO6 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: 10.17188/1697157
title: Materials Data on CoPbO3 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: 10.17188/1697158
title: Materials Data on Li4Ni(PO3)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