cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1662329
title: Materials Data on BaNb4O11 by Materials Project

description: BaNb4O11 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are six shorter (2.64 Å) and two longer (2.74 Å) Ba–O bond lengths. There are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Nb–O bond lengths are 2.02 Å. In the second Nb5+ site, Nb5+ is bonded in a 7-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.99–2.11 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+ and three equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+ and two Nb5+ atoms.
DOI: 10.17188/1662330
title: Materials Data on Pr3Rh4Pb13 by Materials Project

description: Pr3Rh4Pb13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Rh and twelve equivalent Pb atoms. All Pr–Rh bond lengths are 3.60 Å. There are four shorter (3.56 Å) and eight longer (3.59 Å) Pr–Pb bond lengths. Rh is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Pb atoms. All Rh–Pb bond lengths are 2.79 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to three equivalent Pr, two equivalent Rh, and four Pb atoms. There are a spread of Pb–Pb bond distances ranging from 3.16–3.50 Å. In the second Pb site, Pb is bonded in a cuboctahedral geometry to twelve equivalent Pb atoms.
DOI: 10.17188/1662331
title: Materials Data on Ni4P2O9 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: 10.17188/1662332
title: Materials Data on TeMo6 by Materials Project

description: TeMo6 is Parent of FeAs superconductors-derived structured and crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 8-coordinate geometry to eight Mo and two equivalent Te atoms. There are a spread of Mo–Mo bond distances ranging from 2.68–3.13 Å. There are one shorter (2.80 Å) and one longer (3.11 Å) Mo–Te bond lengths. In the second Mo site, Mo is bonded to twelve Mo atoms to form a mixture of distorted face and corner-sharing MoMo12 cuboctahedra. There are two shorter (2.67 Å) and two longer (2.68 Å) Mo–Mo bond lengths. Te is bonded in a 8-coordinate geometry to eight equivalent Mo atoms.
DOI: 10.17188/1662333
title: Materials Data on Sr2DyTaO6 by Materials Project

description: Sr2DyTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.96 Å. Dy3+ is bonded to six O2- atoms to form DyO6 octahedra that share corners with six equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 25–28°. There are four shorter (2.26 Å) and two longer (2.27 Å) Dy–O bond lengths. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent DyO6 octahedra. The corner-sharing octahedra tilt angles range from 25–28°. There are two shorter (2.01 Å) and four longer (2.02 Å) Ta–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Dy3+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Dy3+, and one Ta5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Dy3+, and one Ta5+ atom.
DOI: 10.17188/1662334
title: Materials Data on Cr4Se3N2 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: 10.17188/1662335
title: Materials Data on Ca5Mg by Materials Project

description: Ca5Mg crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are five inequivalent Ca sites. In the first Ca site, Ca is bonded to ten Ca and two equivalent Mg atoms to form distorted CaCa10Mg2 cuboctahedra that share corners with twelve CaCa10Mg2 cuboctahedra, edges with nine CaCa8Mg2 cuboctahedra, and faces with fourteen CaCa10Mg2 cuboctahedra. There are a spread of Ca–Ca bond distances ranging from 3.75–4.00 Å. Both Ca–Mg bond lengths are 3.65 Å. In the second Ca site, Ca is bonded in a 11-coordinate geometry to nine Ca and two equivalent Mg atoms. There are a spread of Ca–Ca bond distances ranging from 3.59–3.83 Å. Both Ca–Mg bond lengths are 3.75 Å. In the third Ca site, Ca is bonded to eight Ca and two equivalent Mg atoms to form distorted CaCa8Mg2 cuboctahedra that share corners with fourteen CaCa8Mg2 cuboctahedra, edges with five CaCa10Mg2 cuboctahedra, and faces with fourteen CaCa10Mg2 cuboctahedra. There are a spread of Ca–Ca bond distances ranging from 3.83–3.99 Å. Both Ca–Mg bond lengths are 3.64 Å. In the fourth Ca site, Ca is bonded to eleven Ca and one Mg atom to form a mixture of distorted corner, edge, and face-sharing CaCa11Mg cuboctahedra. There are two shorter (3.82 Å) and two longer (3.84 Å) Ca–Ca bond lengths. The Ca–Mg bond length is 3.71 Å. In the fifth Ca site, Ca is bonded to ten Ca and two equivalent Mg atoms to form distorted CaCa10Mg2 cuboctahedra that share corners with fourteen CaCa8Mg2 cuboctahedra, edges with nine CaCa10Mg2 cuboctahedra, and faces with thirteen CaCa10Mg2 cuboctahedra. Both Ca–Ca bond lengths are 3.82 Å. Both Ca–Mg bond lengths are 3.69 Å. Mg is bonded in a 9-coordinate geometry to nine Ca atoms.
DOI: 10.17188/1662336
title: Materials Data on Tc3Mo by Materials Project

description: MoTc3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mo5+ is bonded to twelve Tc+1.67- atoms to form MoTc12 cuboctahedra that share corners with four equivalent MoTc12 cuboctahedra, corners with eight equivalent TcTc8Mo4 cuboctahedra, edges with eight equivalent MoTc12 cuboctahedra, edges with sixteen equivalent TcTc8Mo4 cuboctahedra, faces with four equivalent MoTc12 cuboctahedra, and faces with fourteen TcTc8Mo4 cuboctahedra. All Mo–Tc bond lengths are 2.77 Å. There are two inequivalent Tc+1.67- sites. In the first Tc+1.67- site, Tc+1.67- is bonded to four equivalent Mo5+ and eight Tc+1.67- atoms to form TcTc8Mo4 cuboctahedra that share corners with twelve equivalent TcTc8Mo4 cuboctahedra, edges with eight equivalent MoTc12 cuboctahedra, edges with sixteen TcTc8Mo4 cuboctahedra, faces with four equivalent MoTc12 cuboctahedra, and faces with fourteen TcTc8Mo4 cuboctahedra. All Tc–Tc bond lengths are 2.77 Å. In the second Tc+1.67- site, Tc+1.67- is bonded to four equivalent Mo5+ and eight equivalent Tc+1.67- atoms to form TcTc8Mo4 cuboctahedra that share corners with four equivalent TcTc8Mo4 cuboctahedra, corners with eight equivalent MoTc12 cuboctahedra, edges with twenty-four TcTc8Mo4 cuboctahedra, faces with six equivalent MoTc12 cuboctahedra, and faces with twelve TcTc8Mo4 cuboctahedra.
DOI: 10.17188/1662337
title: Materials Data on Ba3Cr2O8 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: 10.17188/1662338
title: Materials Data on CeCdCu by Materials Project

description: CeCuCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Cu and six equivalent Cd atoms. There are four shorter (3.05 Å) and one longer (3.09 Å) Ce–Cu bond lengths. There are two shorter (3.26 Å) and four longer (3.38 Å) Ce–Cd bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Cd atoms. All Cu–Cd bond lengths are 2.77 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Cd atoms. All Cu–Cd bond lengths are 2.87 Å. Cd is bonded in a 12-coordinate geometry to six equivalent Ce and four Cu atoms.
DOI: 10.17188/1662339
title: Materials Data on ZnWF6 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: 10.17188/1662340
title: Materials Data on Cs2Cr4Cu(HO4)4 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: 10.17188/1662341
title: Materials Data on Pt(IN)2 by Materials Project

description: Pt(NI)2 crystallizes in the tetragonal P4/mnc space group. The structure is one-dimensional and consists of two Pt(NI)2 ribbons oriented in the (0, 0, 1) direction. there are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded to two equivalent Pt2+ and four equivalent I1- atoms to form corner-sharing PtPt2I4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Pt–Pt bond lengths are 2.48 Å. All Pt–I bond lengths are 2.64 Å. In the second Pt2+ site, Pt2+ is bonded in a square co-planar geometry to two equivalent Pt2+ and four equivalent N atoms. All Pt–N bond lengths are 2.04 Å. N is bonded in a 1-coordinate geometry to one Pt2+ and two equivalent I1- atoms. Both N–I bond lengths are 2.55 Å. I1- is bonded in a distorted T-shaped geometry to one Pt2+ and two equivalent N atoms.
DOI: 10.17188/1662342
title: Materials Data on La3NbSb5 by Materials Project

description: La3NbSb5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine Sb+2.80- atoms. There are a spread of La–Sb bond distances ranging from 3.22–3.48 Å. Nb5+ is bonded to six equivalent Sb+2.80- atoms to form face-sharing NbSb6 octahedra. All Nb–Sb bond lengths are 2.92 Å. There are two inequivalent Sb+2.80- sites. In the first Sb+2.80- site, Sb+2.80- is bonded to five equivalent La3+ and two equivalent Nb5+ atoms to form a mixture of distorted face, edge, and corner-sharing SbLa5Nb2 pentagonal bipyramids. In the second Sb+2.80- site, Sb+2.80- is bonded in a 8-coordinate geometry to six equivalent La3+ and two equivalent Sb+2.80- atoms. Both Sb–Sb bond lengths are 3.16 Å.
DOI: 10.17188/1662344
title: Materials Data on H7WC7NO5 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: 10.17188/1662345
title: Materials Data on Li2VCrP2(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: 10.17188/1662346
title: Materials Data on Li4Ti3Mn3(WO8)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: 10.17188/1662347
title: Materials Data on CuAs2 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: 10.17188/1662348
title: Materials Data on Li3Mn2(CO3)4 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: 10.17188/1662349
title: Materials Data on Rb4Mo5(PO11)2 by Materials Project

description: Rb4Mo5(PO11)2 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are three 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 3.16–3.52 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.58 Å. In the third 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 2.89–3.44 Å. There are three inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.41 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.34 Å. In the third Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.50 Å. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.62 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+ and two Mo6+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+, one Mo6+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to three Rb1+ and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Mo6+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Rb1+ and two equivalent Mo6+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent P5+ atoms. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, two Mo6+, and one P5+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one Mo6+ atom. In the eleventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two Mo6+ atoms. In the twelfth O2- site, O2- is bonded in a single-bond geometry to three Rb1+ and one Mo6+ atom.
DOI: 10.17188/1662350
title: Materials Data on CaV4(CoO4)3 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: 10.17188/1662351
title: Materials Data on Li2CoGeO4 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: 10.17188/1662352
title: Materials Data on Mg(NiGe)6 by Materials Project

description: Mg(NiGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Ni and eight Ge atoms to form distorted face-sharing MgNi12Ge8 hexagonal bipyramids. All Mg–Ni bond lengths are 3.21 Å. There are two shorter (2.66 Å) and six longer (2.95 Å) Mg–Ge bond lengths. Ni is bonded in a 12-coordinate geometry to two equivalent Mg, four equivalent Ni, and six Ge atoms. All Ni–Ni bond lengths are 2.55 Å. There are a spread of Ni–Ge bond distances ranging from 2.45–2.65 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Mg and six equivalent Ni atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Ni atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Mg, six equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.52 Å.
DOI: 10.17188/1662353
title: Materials Data on Mg6NbH16 by Materials Project

description: Mg6NbH16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded in a body-centered cubic geometry to eight H+0.88- atoms. There are four shorter (1.98 Å) and four longer (2.12 Å) Mg–H bond lengths. Nb2+ is bonded in a body-centered cubic geometry to eight equivalent H+0.88- atoms. All Nb–H bond lengths are 1.90 Å. There are two inequivalent H+0.88- sites. In the first H+0.88- site, H+0.88- is bonded to three equivalent Mg2+ and one Nb2+ atom to form a mixture of edge and corner-sharing HMg3Nb tetrahedra. In the second H+0.88- site, H+0.88- is bonded in a trigonal planar geometry to three equivalent Mg2+ atoms.
DOI: 10.17188/1662354
title: Materials Data on Tl3In by Materials Project

description: Tl3In crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a distorted body-centered cubic geometry to six Tl and two equivalent In atoms. There are four shorter (3.45 Å) and two longer (3.50 Å) Tl–Tl bond lengths. Both Tl–In bond lengths are 3.25 Å. In the second Tl site, Tl is bonded in a body-centered cubic geometry to eight Tl atoms. All Tl–Tl bond lengths are 3.45 Å. In is bonded in a distorted body-centered cubic geometry to four equivalent Tl atoms.
DOI: 10.17188/1662355
title: Materials Data on ZnFe(SiO3)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: 10.17188/1662356
title: Materials Data on Sm(Fe5Mo)2 by Materials Project

description: SmFe10Mo2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to two equivalent Mo and eighteen Fe atoms. Both Sm–Mo bond lengths are 3.10 Å. There are a spread of Sm–Fe bond distances ranging from 3.04–3.27 Å. Mo is bonded in a 10-coordinate geometry to one Sm, one Mo, and twelve Fe atoms. The Mo–Mo bond length is 2.43 Å. There are a spread of Mo–Fe bond distances ranging from 2.62–2.94 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Sm, two equivalent Mo, and eight Fe atoms to form a mixture of distorted corner, edge, and face-sharing FeSm2Fe8Mo2 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.38–2.64 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Sm, two equivalent Mo, and eight Fe atoms. There are two shorter (2.66 Å) and two longer (2.73 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Sm, two equivalent Mo, and eight Fe atoms. Both Fe–Fe bond lengths are 2.64 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Sm, four equivalent Mo, and nine Fe atoms. The Fe–Fe bond length is 2.42 Å.
DOI: 10.17188/1662357
title: Materials Data on FeH21C7S3N by Materials Project

description: FeH9(CS)3N(CH3)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tetramethylammonium molecules and two FeH9(CS)3 clusters. In each FeH9(CS)3 cluster, Fe2+ is bonded to four S2- atoms to form edge-sharing FeS4 tetrahedra. There are a spread of Fe–S bond distances ranging from 2.29–2.36 Å. There are three inequivalent C2- sites. In the first C2- site, C2- is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. All C–H bond lengths are 1.10 Å. The C–S bond length is 1.83 Å. In the second C2- site, C2- is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. All C–H bond lengths are 1.10 Å. The C–S bond length is 1.84 Å. In the third C2- site, C2- is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. All C–H bond lengths are 1.10 Å. The C–S bond length is 1.83 Å. There are nine 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. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to one Fe2+ and one C2- atom. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to two equivalent Fe2+ and one C2- atom. In the third S2- site, S2- is bonded in a water-like geometry to one Fe2+ and one C2- atom.
DOI: 10.17188/1662358
title: Materials Data on Li3Mn(CoO3)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