cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1692699
title: Materials Data on Nd23Mg4Ru7 by Materials Project

description: Mg4Nd23Ru7 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to three equivalent Mg and nine Nd atoms to form face-sharing MgNd9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.12 Å. There are a spread of Mg–Nd bond distances ranging from 3.44–3.72 Å. In the second Mg site, Mg is bonded to three Mg and nine Nd atoms to form a mixture of corner and face-sharing MgNd9Mg3 cuboctahedra. Both Mg–Mg bond lengths are 3.17 Å. There are a spread of Mg–Nd bond distances ranging from 3.43–3.74 Å. There are nine inequivalent Nd sites. In the first Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two Mg and two equivalent Ru atoms. Both Nd–Ru bond lengths are 2.85 Å. In the second Nd site, Nd is bonded in a distorted T-shaped geometry to three Ru atoms. There are two shorter (2.92 Å) and one longer (3.00 Å) Nd–Ru bond lengths. In the third Nd site, Nd is bonded in a bent 150 degrees geometry to two equivalent Mg and two Ru atoms. There are one shorter (2.79 Å) and one longer (2.86 Å) Nd–Ru bond lengths. In the fourth Nd site, Nd is bonded in a 3-coordinate geometry to three Mg and three Ru atoms. There are two shorter (2.92 Å) and one longer (2.93 Å) Nd–Ru bond lengths. In the fifth Nd site, Nd is bonded in a 3-coordinate geometry to one Mg and two equivalent Ru atoms. Both Nd–Ru bond lengths are 3.62 Å. In the sixth Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Ru atoms. All Nd–Ru bond lengths are 2.98 Å. In the seventh Nd site, Nd is bonded in a distorted water-like geometry to one Mg and four Ru atoms. There are two shorter (2.92 Å) and two longer (3.62 Å) Nd–Ru bond lengths. In the eighth Nd site, Nd is bonded in a 4-coordinate geometry to two equivalent Mg and two Ru atoms. There are one shorter (3.47 Å) and one longer (3.63 Å) Nd–Ru bond lengths. In the ninth Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Ru atoms. All Nd–Ru bond lengths are 2.90 Å. There are three inequivalent Ru sites. In the first Ru site, Ru is bonded in a 6-coordinate geometry to nine Nd atoms. In the second Ru site, Ru is bonded in a 6-coordinate geometry to eight Nd atoms. In the third Ru site, Ru is bonded in a 6-coordinate geometry to nine Nd atoms.
DOI: 10.17188/1692700
title: Materials Data on Gd2AgIr by Materials Project

description: Gd2IrAg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Ag atoms. All Gd–Ir bond lengths are 3.08 Å. All Gd–Ag bond lengths are 3.08 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Gd atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.
DOI: 10.17188/1692701
title: Materials Data on Al2Si2CNO10 by Materials Project

description: Al2Si2O9CNO crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of four cyanic acid molecules and two Al2Si2O9 sheets oriented in the (0, 0, 1) direction. In each Al2Si2O9 sheet, there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with two SiO4 tetrahedra and edges with three equivalent AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.88–1.98 Å. In the second Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with two SiO4 tetrahedra and edges with three equivalent AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.88–1.98 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two AlO6 octahedra and corners with three equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–54°. There is three shorter (1.62 Å) and one longer (1.65 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two AlO6 octahedra and corners with three equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–54°. There is three shorter (1.62 Å) and one longer (1.65 Å) Si–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Al3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Al3+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to two Al3+ atoms. In the fourth O2- site, O2- is bonded in a water-like geometry to two Al3+ atoms. In the fifth O2- site, O2- is bonded in a water-like geometry to two Al3+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Si4+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Si4+ atoms. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Al3+ and one Si4+ atom.
DOI: 10.17188/1692703
title: Materials Data on K3AlF6 by Materials Project

description: K3AlF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, 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 KF6 octahedra, and faces with four equivalent AlF6 octahedra. All K–F bond lengths are 3.10 Å. In the second K1+ site, K1+ is bonded to six equivalent F1- atoms to form KF6 octahedra that share corners with six equivalent AlF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–F bond lengths are 2.52 Å. Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent KF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–F bond lengths are 1.84 Å. F1- is bonded in a 2-coordinate geometry to five K1+ and one Al3+ atom.
DOI: 10.17188/1692704
title: Materials Data on CdAg2Sn3S8 by Materials Project

description: Ag2CdSn3S8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with three equivalent CdS6 octahedra and corners with nine equivalent SnS6 octahedra. The corner-sharing octahedra tilt angles range from 56–60°. There are three shorter (2.52 Å) and one longer (2.60 Å) Ag–S bond lengths. Cd2+ is bonded to six equivalent S2- atoms to form CdS6 octahedra that share corners with six equivalent AgS4 tetrahedra and edges with six equivalent SnS6 octahedra. All Cd–S bond lengths are 2.70 Å. Sn4+ is bonded to six S2- atoms to form SnS6 octahedra that share corners with six equivalent AgS4 tetrahedra, edges with two equivalent CdS6 octahedra, and edges with four equivalent SnS6 octahedra. There are four shorter (2.59 Å) and two longer (2.67 Å) Sn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one Ag1+ and three equivalent Sn4+ atoms. In the second S2- site, S2- is bonded to one Ag1+, one Cd2+, and two equivalent Sn4+ atoms to form a mixture of distorted corner and edge-sharing SCdAgSn2 trigonal pyramids.
DOI: 10.17188/1692705
title: Materials Data on Li3NiPCO7 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: 10.17188/1692706
title: Materials Data on YbCdGe by Materials Project

description: YbCdGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 5-coordinate geometry to six equivalent Cd and five Ge atoms. There are two shorter (3.24 Å) and four longer (3.49 Å) Yb–Cd bond lengths. There are one shorter (3.08 Å) and four longer (3.12 Å) Yb–Ge bond lengths. Cd is bonded in a 12-coordinate geometry to six equivalent Yb, two equivalent Cd, and four Ge atoms. Both Cd–Cd bond lengths are 3.23 Å. There are two shorter (2.76 Å) and two longer (2.90 Å) Cd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Yb and six equivalent Cd atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Cd atoms.
DOI: 10.17188/1692707
title: Materials Data on Ga4Ni3Pt by Materials Project

description: PtNi3Ga4 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Pt is bonded in a 7-coordinate geometry to six equivalent Ni and seven Ga atoms. There are three shorter (2.91 Å) and three longer (2.93 Å) Pt–Ni bond lengths. There are four shorter (2.52 Å) and three longer (2.67 Å) Pt–Ga bond lengths. Ni is bonded in a 9-coordinate geometry to two equivalent Pt and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.43–2.66 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 7-coordinate geometry to one Pt and six equivalent Ni atoms. In the second Ga site, Ga is bonded in a 7-coordinate geometry to two equivalent Pt and five equivalent Ni atoms.
DOI: 10.17188/1692708
title: Materials Data on SiH27C10N3F2 by Materials Project

description: CH2CH2CH2NHCH2CH2NHCH2CH2NH2SiC3H9F2 is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3 space group. The structure is zero-dimensional and consists of two tris(dimethylamino)methane molecules and two SiC3H9F2 clusters. In each SiC3H9F2 cluster, Si4+ is bonded in a trigonal bipyramidal geometry to three equivalent C2- and two F1- atoms. All Si–C bond lengths are 1.90 Å. There is one shorter (1.82 Å) and one longer (1.84 Å) Si–F bond length. C2- is bonded to one Si4+ and three H1+ atoms to form distorted corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom.
DOI: 10.17188/1692709
title: Materials Data on Zn2Ga2S5 by Materials Project

description: Zn2Ga2S5 crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two Zn2Ga2S5 sheets oriented in the (0, 0, 1) direction. there are two 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 GaS6 octahedra and corners with six equivalent ZnS4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. There are three shorter (2.28 Å) and one longer (2.53 Å) Zn–S bond lengths. In the second Zn2+ site, Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with three equivalent GaS6 octahedra, corners with three equivalent GaS4 tetrahedra, and corners with six equivalent ZnS4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are one shorter (2.23 Å) and three longer (2.36 Å) Zn–S bond lengths. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six S2- atoms to form GaS6 octahedra that share corners with six ZnS4 tetrahedra and edges with six equivalent GaS6 octahedra. There are three shorter (2.47 Å) and three longer (2.57 Å) Ga–S bond lengths. In the second Ga3+ site, Ga3+ is bonded to four S2- atoms to form GaS4 tetrahedra that share corners with three equivalent ZnS4 tetrahedra and corners with six equivalent GaS4 tetrahedra. There are one shorter (2.30 Å) and three longer (2.33 Å) Ga–S bond lengths. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to three equivalent Zn2+ atoms. In the second S2- site, S2- is bonded to one Zn2+ and three equivalent Ga3+ atoms to form a mixture of distorted corner and edge-sharing SZnGa3 tetrahedra. In the third S2- site, S2- is bonded to one Zn2+ and three equivalent Ga3+ atoms to form a mixture of distorted corner and edge-sharing SZnGa3 trigonal pyramids. In the fourth S2- site, S2- is bonded to three equivalent Zn2+ and one Ga3+ atom to form SZn3Ga tetrahedra that share corners with six equivalent SZn3Ga tetrahedra and corners with three equivalent SZnGa3 trigonal pyramids. In the fifth S2- site, S2- is bonded in a trigonal non-coplanar geometry to three equivalent Ga3+ atoms.
DOI: 10.17188/1692710
title: Materials Data on HfTiFe4 by Materials Project

description: HfTiFe4 is Hexagonal Laves-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to three equivalent Hf, one Ti, and twelve Fe atoms. All Hf–Hf bond lengths are 3.02 Å. The Hf–Ti bond length is 2.97 Å. There are a spread of Hf–Fe bond distances ranging from 2.85–2.91 Å. Ti is bonded in a 12-coordinate geometry to one Hf, three equivalent Ti, and twelve Fe atoms. All Ti–Ti bond lengths are 2.95 Å. There are a spread of Ti–Fe bond distances ranging from 2.75–2.86 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent Hf and six equivalent Fe atoms to form FeHf6Fe6 cuboctahedra that share corners with twelve equivalent FeHf3Ti3Fe6 cuboctahedra, edges with six equivalent FeHf6Fe6 cuboctahedra, and faces with twenty FeTi6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.47 Å. In the second Fe site, Fe is bonded to six equivalent Ti and six equivalent Fe atoms to form FeTi6Fe6 cuboctahedra that share corners with twelve equivalent FeHf3Ti3Fe6 cuboctahedra, edges with six equivalent FeTi6Fe6 cuboctahedra, and faces with twenty FeHf6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.41 Å. In the third Fe site, Fe is bonded to three equivalent Hf, three equivalent Ti, and six Fe atoms to form FeHf3Ti3Fe6 cuboctahedra that share corners with eighteen FeHf6Fe6 cuboctahedra, edges with six equivalent FeHf3Ti3Fe6 cuboctahedra, and faces with eighteen FeHf6Fe6 cuboctahedra. There are two shorter (2.40 Å) and two longer (2.48 Å) Fe–Fe bond lengths.
DOI: 10.17188/1692711
title: Materials Data on Mg2Ni3As by Materials Project

description: Mg2Ni3As crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Mg, nine equivalent Ni, and three equivalent As atoms. There are one shorter (2.80 Å) and three longer (3.06 Å) Mg–Mg bond lengths. There are three shorter (2.77 Å) and six longer (2.88 Å) Mg–Ni bond lengths. All Mg–As bond lengths are 2.94 Å. Ni is bonded to six equivalent Mg, four equivalent Ni, and two equivalent As atoms to form distorted NiMg6Ni4As2 cuboctahedra that share corners with four equivalent AsMg6Ni6 cuboctahedra, corners with fourteen equivalent NiMg6Ni4As2 cuboctahedra, edges with six equivalent NiMg6Ni4As2 cuboctahedra, faces with six equivalent AsMg6Ni6 cuboctahedra, and faces with twelve equivalent NiMg6Ni4As2 cuboctahedra. All Ni–Ni bond lengths are 2.52 Å. Both Ni–As bond lengths are 2.37 Å. As is bonded to six equivalent Mg and six equivalent Ni atoms to form AsMg6Ni6 cuboctahedra that share corners with six equivalent AsMg6Ni6 cuboctahedra, corners with twelve equivalent NiMg6Ni4As2 cuboctahedra, edges with six equivalent AsMg6Ni6 cuboctahedra, and faces with eighteen equivalent NiMg6Ni4As2 cuboctahedra.
DOI: 10.17188/1692712
title: Materials Data on MgCoP2O7 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: 10.17188/1692713
title: Materials Data on CrCuO3 by Materials Project

description: CrCuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr5+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent CrO6 octahedra and faces with eight equivalent CuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–O bond lengths are 1.85 Å. Cu1+ is bonded to twelve equivalent O2- atoms to form CuO12 cuboctahedra that share corners with twelve equivalent CuO12 cuboctahedra, faces with six equivalent CuO12 cuboctahedra, and faces with eight equivalent CrO6 octahedra. All Cu–O bond lengths are 2.62 Å. O2- is bonded in a distorted linear geometry to two equivalent Cr5+ and four equivalent Cu1+ atoms.
DOI: 10.17188/1692714
title: Materials Data on K3Er by Materials Project

description: K3Er is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a distorted body-centered cubic geometry to four equivalent K and four equivalent Er atoms. All K–K bond lengths are 4.21 Å. All K–Er bond lengths are 4.21 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Er is bonded in a body-centered cubic geometry to eight equivalent K atoms.
DOI: 10.17188/1692715
title: Materials Data on RbP11 by Materials Project

description: RbP11 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one RbP11 sheet oriented in the (0, 0, 1) direction. Rb1+ is bonded in a 4-coordinate geometry to six P+0.09- atoms. There are a spread of Rb–P bond distances ranging from 3.52–3.93 Å. There are fifteen inequivalent P+0.09- sites. In the first P+0.09- site, P+0.09- is bonded in a distorted trigonal non-coplanar geometry to three P+0.09- atoms. There are two shorter (2.21 Å) and one longer (2.32 Å) P–P bond lengths. In the second P+0.09- site, P+0.09- is bonded to one Rb1+ and three P+0.09- atoms to form PRbP3 trigonal pyramids that share corners with four PRb2P2 tetrahedra and a cornercorner with one PRbP3 trigonal pyramid. There are one shorter (2.20 Å) and one longer (2.24 Å) P–P bond lengths. In the third P+0.09- site, P+0.09- is bonded in a trigonal non-coplanar geometry to three P+0.09- atoms. There are a spread of P–P bond distances ranging from 2.20–2.24 Å. In the fourth P+0.09- site, P+0.09- is bonded in a distorted rectangular see-saw-like geometry to one Rb1+ and three P+0.09- atoms. There are two shorter (2.23 Å) and one longer (2.27 Å) P–P bond lengths. In the fifth P+0.09- site, P+0.09- is bonded to two equivalent Rb1+ and two P+0.09- atoms to form distorted corner-sharing PRb2P2 tetrahedra. Both P–P bond lengths are 2.16 Å. In the sixth P+0.09- site, P+0.09- is bonded in a trigonal non-coplanar geometry to three P+0.09- atoms. There are one shorter (2.25 Å) and one longer (2.26 Å) P–P bond lengths. In the seventh P+0.09- site, P+0.09- is bonded in a trigonal non-coplanar geometry to three P+0.09- atoms. The P–P bond length is 2.25 Å. In the eighth P+0.09- site, P+0.09- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and three P+0.09- atoms. There are one shorter (2.16 Å) and two longer (2.24 Å) P–P bond lengths. In the ninth P+0.09- site, P+0.09- is bonded in a trigonal non-coplanar geometry to three P+0.09- atoms. The P–P bond length is 2.16 Å. In the tenth P+0.09- site, P+0.09- is bonded in a trigonal non-coplanar geometry to three P+0.09- atoms. In the eleventh P+0.09- site, P+0.09- is bonded to one Rb1+ and three P+0.09- atoms to form distorted PRbP3 tetrahedra that share corners with two PRb2P2 tetrahedra and corners with two equivalent PRbP3 trigonal pyramids. The P–P bond length is 2.30 Å. In the twelfth P+0.09- site, P+0.09- is bonded to two equivalent Rb1+ and two P+0.09- atoms to form PRb2P2 tetrahedra that share corners with four PRb2P2 tetrahedra and corners with two equivalent PRbP3 trigonal pyramids. In the thirteenth P+0.09- site, P+0.09- is bonded in a trigonal non-coplanar geometry to three P+0.09- atoms. In the fourteenth P+0.09- site, P+0.09- is bonded in a 4-coordinate geometry to three P+0.09- atoms. In the fifteenth P+0.09- site, P+0.09- is bonded in a distorted trigonal non-coplanar geometry to three P+0.09- atoms.
DOI: 10.17188/1692717
title: Materials Data on TlIn2Bi by Materials Project

description: TlIn2Bi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TlIn2Bi ribbons oriented in the (1, 0, 0) direction. Tl is bonded in a linear geometry to two equivalent In atoms. Both Tl–In bond lengths are 2.89 Å. In is bonded in a linear geometry to one Tl and one Bi atom. The In–Bi bond length is 2.73 Å. Bi is bonded in a linear geometry to two equivalent In atoms.
DOI: 10.17188/1692718
title: Materials Data on HfInPd2 by Materials Project

description: Pd2HfIn is alpha iridium vanadium-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Hf is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms. All Hf–Pd bond lengths are 2.81 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Hf and four equivalent In atoms. All Pd–In bond lengths are 2.98 Å. In is bonded in a 8-coordinate geometry to eight equivalent Pd atoms.
DOI: 10.17188/1692719
title: Materials Data on SrV4O9 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