cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1706869
title: Materials Data on MgSi(OF)6 by Materials Project

description: MgO6SiF6 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two SiF6 clusters and one MgO6 sheet oriented in the (1, 0, 0) direction. In each SiF6 cluster, Si is bonded in an octahedral geometry to six F atoms. There is two shorter (1.67 Å) and four longer (1.75 Å) Si–F bond length. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Si atom. In the second F site, F is bonded in a single-bond geometry to one Si atom. In the third F site, F is bonded in a single-bond geometry to one Si atom. In the MgO6 sheet, Mg is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.02–2.60 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Mg and one O atom. The O–O bond length is 1.22 Å. In the second O site, O is bonded in a single-bond geometry to one Mg atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Mg and one O atom.
DOI: 10.17188/1706870
title: Materials Data on Sr2YTlCo2O7 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: 10.17188/1706871
title: Materials Data on SrH6C6S2N2O7 by Materials Project

description: SrC5N2H6S2O5CO2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four formic acid molecules and two SrC5N2H6S2O5 ribbons oriented in the (1, 0, 0) direction. In each SrC5N2H6S2O5 ribbon, Sr2+ is bonded in a 8-coordinate geometry to one N3- and seven O2- atoms. The Sr–N bond length is 2.99 Å. There are a spread of Sr–O bond distances ranging from 2.53–2.92 Å. There are five inequivalent C+2.67+ sites. In the first C+2.67+ site, C+2.67+ is bonded in a distorted single-bond geometry to one N3- and one S2- atom. The C–N bond length is 1.36 Å. The C–S bond length is 1.73 Å. In the second C+2.67+ site, C+2.67+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the third C+2.67+ site, C+2.67+ is bonded in a distorted single-bond geometry to one N3- and one S2- atom. The C–N bond length is 1.32 Å. The C–S bond length is 1.75 Å. In the fourth C+2.67+ site, C+2.67+ is bonded in a distorted single-bond geometry to one N3- and one S2- atom. The C–N bond length is 1.35 Å. The C–S bond length is 1.72 Å. In the fifth C+2.67+ site, C+2.67+ is bonded in a distorted single-bond geometry to one N3- and one S2- atom. The C–N bond length is 1.32 Å. The C–S bond length is 1.74 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted water-like geometry to one Sr2+ and two C+2.67+ atoms. In the second N3- site, N3- is bonded in a water-like geometry to two C+2.67+ atoms. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to two C+2.67+ atoms. In the second S2- site, S2- is bonded in a distorted L-shaped geometry to two C+2.67+ atoms. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one C+2.67+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Sr2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Sr2+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a water-like geometry to two equivalent Sr2+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one C+2.67+ atom.
DOI: 10.17188/1706872
title: Materials Data on LiVFeP2(HO5)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
DOI: 10.17188/1706873
title: Materials Data on MgSi7N10 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: 10.17188/1706874
title: Materials Data on MgTi2 by Materials Project

description: MgTi2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Ti atoms to form MgMg3Ti9 cuboctahedra that share corners with six equivalent MgMg3Ti9 cuboctahedra, corners with six equivalent TiMg5Ti7 cuboctahedra, edges with four equivalent MgMg3Ti9 cuboctahedra, edges with five equivalent TiMg5Ti7 cuboctahedra, faces with six equivalent MgMg3Ti9 cuboctahedra, and faces with eight equivalent TiMg5Ti7 cuboctahedra. There are one shorter (2.89 Å) and two longer (2.93 Å) Mg–Mg bond lengths. There are a spread of Mg–Ti bond distances ranging from 3.00–3.18 Å. There are two inequivalent Ti sites. In the first Ti site, Ti is bonded to five equivalent Mg and seven Ti atoms to form TiMg5Ti7 cuboctahedra that share corners with six equivalent MgMg3Ti9 cuboctahedra, corners with six equivalent TiMg5Ti7 cuboctahedra, edges with five equivalent MgMg3Ti9 cuboctahedra, edges with six equivalent TiMg5Ti7 cuboctahedra, faces with five equivalent TiMg5Ti7 cuboctahedra, and faces with eight equivalent MgMg3Ti9 cuboctahedra. There are a spread of Ti–Ti bond distances ranging from 2.80–2.93 Å. In the second Ti site, Ti is bonded in a 12-coordinate geometry to four equivalent Mg and seven Ti atoms. There are two shorter (2.80 Å) and two longer (2.93 Å) Ti–Ti bond lengths.
DOI: 10.17188/1706875
title: Materials Data on MnVH4O2F5 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: 10.17188/1706876
title: Materials Data on Rb2AlAgF6 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: 10.17188/1706877
title: Materials Data on Fe4Si by Materials Project

description: Fe4Si crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to two equivalent Fe and four equivalent Si atoms. Both Fe–Fe bond lengths are 2.49 Å. There are two shorter (2.34 Å) and two longer (2.70 Å) Fe–Si bond lengths. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight Fe atoms. There are two shorter (2.49 Å) and four longer (2.54 Å) Fe–Fe bond lengths. Si is bonded to eight equivalent Fe and four equivalent Si atoms to form a mixture of distorted corner and face-sharing SiFe8Si4 cuboctahedra. All Si–Si bond lengths are 2.54 Å.
DOI: 10.17188/1706878
title: Materials Data on Li2VCr3O8 by Materials Project

description: Li2VCr3O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent CrO6 octahedra, edges with two equivalent LiO6 octahedra, edges with two equivalent VO6 octahedra, and edges with four CrO6 octahedra. The corner-sharing octahedra tilt angles range from 9–12°. There are a spread of Li–O bond distances ranging from 2.16–2.21 Å. V5+ is bonded to six O2- atoms to form VO6 octahedra that share edges with four equivalent LiO6 octahedra and edges with six CrO6 octahedra. There is four shorter (1.89 Å) and two longer (1.93 Å) V–O bond length. There are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with two equivalent LiO6 octahedra, edges with two equivalent VO6 octahedra, and edges with four CrO6 octahedra. The corner-sharing octahedra tilt angles range from 9–12°. There are two shorter (2.01 Å) and four longer (2.05 Å) Cr–O bond lengths. In the second Cr3+ site, Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share edges with two equivalent VO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with four equivalent CrO6 octahedra. There are two shorter (1.98 Å) and four longer (2.02 Å) Cr–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one V5+, and two equivalent Cr3+ atoms to form OLi2VCr2 square pyramids that share corners with five equivalent OLi2VCr2 square pyramids and edges with four equivalent OLi2Cr3 square pyramids. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, one V5+, and two Cr3+ atoms. In the third O2- site, O2- is bonded to two equivalent Li1+ and three Cr3+ atoms to form OLi2Cr3 square pyramids that share corners with five equivalent OLi2Cr3 square pyramids and edges with four equivalent OLi2VCr2 square pyramids.
DOI: 10.17188/1706879
title: Materials Data on VHO3 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: 10.17188/1706880
title: Materials Data on MgFeP2O7 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: 10.17188/1706881
title: Materials Data on Li4Mn8O13F3 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: 10.17188/1706882
title: Materials Data on Li4Mn3SnO8 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: 10.17188/1706883
title: Materials Data on BeHgO3 by Materials Project

description: BeHgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be is bonded to six equivalent O atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.83 Å. Hg is bonded to twelve equivalent O atoms to form HgO12 cuboctahedra that share corners with twelve equivalent HgO12 cuboctahedra, faces with six equivalent HgO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All Hg–O bond lengths are 2.59 Å. O is bonded in a linear geometry to two equivalent Be and four equivalent Hg atoms.
DOI: 10.17188/1706884
title: Materials Data on Rb3ScBr6 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: 10.17188/1706885
title: Materials Data on Na3Ga3Si3O16 by Materials Project

description: Na3Ga3Si3O16 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.29–2.62 Å. Ga is bonded to four O atoms to form GaO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.82–1.86 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four equivalent GaO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. There are six inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent O atoms. All O–O bond lengths are 1.35 Å. In the second O site, O is bonded in a T-shaped geometry to two equivalent Na and one O atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Ga and one Si atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Ga, and one Si atom. In the fifth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Ga, and one Si atom. In the sixth O site, O is bonded in a trigonal planar geometry to one Na, one Ga, and one Si atom.
DOI: 10.17188/1706886
title: Materials Data on KY3O6 by Materials Project

description: YKY2O4O2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of four water molecules; two yttrium molecules; and one KY2O4 sheet oriented in the (0, 0, 1) direction. In the KY2O4 sheet, K is bonded in a distorted square co-planar geometry to four equivalent O atoms. All K–O bond lengths are 2.73 Å. Y is bonded in a linear geometry to two equivalent O atoms. Both Y–O bond lengths are 1.97 Å. O is bonded in a linear geometry to one K and one Y atom.
DOI: 10.17188/1706887
title: Materials Data on Rb(WO3)4 by Materials Project

description: Rb(WO3)4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to twelve O2- atoms to form RbO12 cuboctahedra that share edges with twelve WO6 octahedra and faces with two equivalent RbO12 cuboctahedra. There are eight shorter (3.35 Å) and four longer (3.36 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded to twelve O2- atoms to form RbO12 cuboctahedra that share edges with twelve WO6 octahedra and a faceface with one RbO12 cuboctahedra. There are a spread of Rb–O bond distances ranging from 3.28–3.45 Å. There are four inequivalent W+5.75+ sites. In the first W+5.75+ site, W+5.75+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six WO6 octahedra and edges with four RbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–31°. There are a spread of W–O bond distances ranging from 1.93–1.96 Å. In the second W+5.75+ site, W+5.75+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six WO6 octahedra and edges with two equivalent RbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–29°. There are a spread of W–O bond distances ranging from 1.93–1.95 Å. In the third W+5.75+ site, W+5.75+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six WO6 octahedra and edges with three RbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–31°. There are a spread of W–O bond distances ranging from 1.93–1.95 Å. In the fourth W+5.75+ site, W+5.75+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six WO6 octahedra and edges with three RbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–31°. There are a spread of W–O bond distances ranging from 1.93–1.97 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Rb1+ and two W+5.75+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Rb1+ and two W+5.75+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two Rb1+ and two W+5.75+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Rb1+ and two W+5.75+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to two W+5.75+ atoms. In the sixth O2- site, O2- is bonded in a linear geometry to two W+5.75+ atoms. In the seventh O2- site, O2- is bonded in a linear geometry to two equivalent W+5.75+ atoms. In the eighth O2- site, O2- is bonded in a linear geometry to two equivalent W+5.75+ atoms. In the ninth O2- site, O2- is bonded in a linear geometry to two equivalent W+5.75+ atoms. In the tenth O2- site, O2- is bonded in a linear geometry to two equivalent W+5.75+ atoms. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Rb1+ and two W+5.75+ atoms. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to two Rb1+ and two W+5.75+ atoms.
DOI: 10.17188/1706888
title: Materials Data on Li5Fe8(BO3)8 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1706889
title: Materials Data on Np2S5 by Materials Project

description: Np2S5 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Np5+ is bonded in a 10-coordinate geometry to ten S2- atoms. There are a spread of Np–S bond distances ranging from 2.77–2.96 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to four equivalent Np5+ and one S2- atom. The S–S bond length is 2.23 Å. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four equivalent Np5+ atoms. In the third S2- site, S2- is bonded to four equivalent Np5+ atoms to form distorted corner-sharing SNp4 trigonal pyramids.
DOI: 10.17188/1706890
title: Materials Data on MnTe by Materials Project

description: MnTe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent Te2- atoms to form a mixture of corner, edge, and face-sharing MnTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Mn–Te bond distances ranging from 2.81–2.86 Å. Te2- is bonded in a 6-coordinate geometry to six equivalent Mn2+ atoms.
DOI: 10.17188/1706891
title: Materials Data on Li(BC)2 by Materials Project

description: Li(BC)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Li(BC)2 sheet oriented in the (0, 0, 1) direction. Li1+ is bonded in a 6-coordinate geometry to six equivalent C+3.50- atoms. All Li–C bond lengths are 2.33 Å. B3+ is bonded in a trigonal planar geometry to three equivalent C+3.50- atoms. All B–C bond lengths are 1.57 Å. C+3.50- is bonded in a distorted trigonal planar geometry to three equivalent Li1+ and three equivalent B3+ atoms.
DOI: 10.17188/1706892
title: Materials Data on Na8(NiO2)9 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: 10.17188/1706894
title: Materials Data on Sr2AuO4 by Materials Project

description: Sr2AuO4 is Corundum-derived structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sr is bonded to six equivalent O atoms to form edge-sharing SrO6 octahedra. There are four shorter (2.50 Å) and two longer (2.56 Å) Sr–O bond lengths. Au is bonded in a distorted square co-planar geometry to four equivalent O atoms. All Au–O bond lengths are 2.08 Å. O is bonded to three equivalent Sr and one Au atom to form a mixture of corner and edge-sharing OSr3Au trigonal pyramids.
DOI: 10.17188/1706895
title: Materials Data on KU(SeO4)2 by Materials Project

description: KU(SeO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.85–3.19 Å. U5+ is bonded in a distorted pentagonal bipyramidal geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.82–2.46 Å. There are two inequivalent Se5+ sites. In the first Se5+ site, Se5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.72 Å. In the second Se5+ site, Se5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.72 Å) and two longer (1.74 Å) Se–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one U5+, and one Se5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one U5+, and one Se5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one U5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one U5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one Se5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one U5+, and one Se5+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one U5+ and one Se5+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one U5+, and one Se5+ atom.
DOI: 10.17188/1706896
title: Materials Data on ErWClO4 by Materials Project

description: ErWO4Cl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Er–O bond distances ranging from 2.27–2.69 Å. There are one shorter (2.71 Å) and one longer (2.74 Å) Er–Cl bond lengths. W6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.80–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Er3+ and one W6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Er3+ and one W6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Er3+ and one W6+ atom. Cl1- is bonded in a distorted water-like geometry to two equivalent Er3+ atoms.
DOI: 10.17188/1706897
title: Materials Data on Li3NiAsCO7 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