HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=107",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=105",
"results": [
{
"id": "mp-1193905",
"created_at": "2022-09-04T14:43:17.871543Z",
"structure_string": "Nb16 Co8 N4\n1.0\n0.000000 5.819892 5.819892\n5.819892 0.000000 5.819892\n5.819892 5.819892 0.000000\nNb Co N\n16 8 4\ndirect\n0.125000 0.625000 0.625000 Nb\n0.625000 0.125000 0.625000 Nb\n0.625000 0.625000 0.125000 Nb\n0.625000 0.625000 0.625000 Nb\n0.813997 0.813997 0.186003 Nb\n0.186003 0.186003 0.813997 Nb\n0.813997 0.186003 0.813997 Nb\n0.186003 0.813997 0.186003 Nb\n0.186003 0.813997 0.813997 Nb\n0.813997 0.186003 0.186003 Nb\n0.436003 0.436003 0.063997 Nb\n0.063997 0.063997 0.436003 Nb\n0.436003 0.063997 0.436003 Nb\n0.063997 0.436003 0.063997 Nb\n0.063997 0.436003 0.436003 Nb\n0.436003 0.063997 0.063997 Nb\n0.736314 0.421229 0.421229 Co\n0.421229 0.736314 0.421229 Co\n0.421229 0.421229 0.736314 Co\n0.421229 0.421229 0.421229 Co\n0.513686 0.828771 0.828771 Co\n0.828771 0.513686 0.828771 Co\n0.828771 0.828771 0.513686 Co\n0.828771 0.828771 0.828771 Co\n0.625000 0.125000 0.125000 N\n0.125000 0.625000 0.125000 N\n0.125000 0.125000 0.625000 N\n0.125000 0.125000 0.125000 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Nb",
"Co",
"N"
],
"chemical_system": "Co-N-Nb",
"density": 8.482670400891543,
"density_atomic": 0.07102042374010842,
"volume": 394.25278709210437,
"volume_molar": 8.479449210324871,
"formula_full": "Nb16 Co8 N4",
"formula_reduced": "Nb4Co2N",
"formula_anonymous": "AB2C4",
"energy": -266.39638951,
"energy_per_atom": -9.514156768214287,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -264.95238951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0058112,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:06.666000Z",
"spacegroup": 227
},
{
"id": "mp-2883",
"created_at": "2022-09-04T14:43:17.892906Z",
"structure_string": "Sm4 Sn4 O14\n1.0\n0.000000 5.318057 5.318057\n5.318057 0.000000 5.318057\n5.318057 5.318057 0.000000\nSm Sn O\n4 4 14\ndirect\n0.125000 0.125000 0.125000 Sm\n0.625000 0.125000 0.125000 Sm\n0.125000 0.125000 0.625000 Sm\n0.125000 0.625000 0.125000 Sm\n0.625000 0.625000 0.625000 Sn\n0.125000 0.625000 0.625000 Sn\n0.625000 0.625000 0.125000 Sn\n0.625000 0.125000 0.625000 Sn\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n0.289005 0.289005 0.710995 O\n0.539005 0.539005 0.960995 O\n0.710995 0.289005 0.710995 O\n0.710995 0.289005 0.289005 O\n0.289005 0.710995 0.710995 O\n0.289005 0.710995 0.289005 O\n0.710995 0.710995 0.289005 O\n0.960995 0.539005 0.539005 O\n0.539005 0.960995 0.960995 O\n0.960995 0.960995 0.539005 O\n0.960995 0.539005 0.960995 O\n0.539005 0.960995 0.539005 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sm",
"Sn",
"O"
],
"chemical_system": "O-Sm-Sn",
"density": 7.177847302250186,
"density_atomic": 0.07313642396736551,
"volume": 300.80770711207737,
"volume_molar": 8.234119790553558,
"formula_full": "Sm4 Sn4 O14",
"formula_reduced": "Sm2Sn2O7",
"formula_anonymous": "A2B2C7",
"energy": -170.16491725,
"energy_per_atom": -7.734768965909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.54691725,
"band_gap": 2.7353000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0021113,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.225000Z",
"spacegroup": 227
},
{
"id": "mp-1214021",
"created_at": "2022-09-04T14:43:18.076151Z",
"structure_string": "Ca4 Zn4 F8\n1.0\n0.000000 5.300214 5.300214\n5.300214 0.000000 5.300214\n5.300214 5.300214 0.000000\nCa Zn F\n4 4 8\ndirect\n0.625000 0.625000 0.625000 Ca\n0.625000 0.625000 0.125000 Ca\n0.125000 0.625000 0.625000 Ca\n0.625000 0.125000 0.625000 Ca\n0.125000 0.125000 0.125000 Zn\n0.125000 0.125000 0.625000 Zn\n0.625000 0.125000 0.125000 Zn\n0.125000 0.625000 0.125000 Zn\n0.842063 0.473810 0.842063 F\n0.473810 0.842063 0.842063 F\n0.407937 0.407937 0.407937 F\n0.407937 0.776190 0.407937 F\n0.407937 0.407937 0.776190 F\n0.776190 0.407937 0.407937 F\n0.842063 0.842063 0.842063 F\n0.842063 0.842063 0.473810 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"F"
],
"chemical_system": "Ca-F-Zn",
"density": 3.2003816210352336,
"density_atomic": 0.053729125530786154,
"volume": 297.7900690163325,
"volume_molar": 11.208335703415433,
"formula_full": "Ca4 Zn4 F8",
"formula_reduced": "CaZnF2",
"formula_anonymous": "ABC2",
"energy": -72.04343919,
"energy_per_atom": -4.502714949375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.34743919,
"band_gap": 2.1738,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.95e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.711000Z",
"spacegroup": 227
},
{
"id": "mp-2019",
"created_at": "2022-09-04T14:43:18.280468Z",
"structure_string": "La2 Ru4\n1.0\n0.000000 3.863696 3.863696\n3.863696 0.000000 3.863696\n3.863696 3.863696 0.000000\nLa Ru\n2 4\ndirect\n0.500000 0.500000 0.500000 La\n0.750000 0.750000 0.750000 La\n0.125000 0.125000 0.125000 Ru\n0.625000 0.125000 0.125000 Ru\n0.125000 0.625000 0.125000 Ru\n0.125000 0.125000 0.625000 Ru\n",
"nsites": 6,
"nelements": 2,
"elements": [
"La",
"Ru"
],
"chemical_system": "La-Ru",
"density": 9.818667150990734,
"density_atomic": 0.05201306061560198,
"volume": 115.35564200581236,
"volume_molar": 11.578131893652847,
"formula_full": "La2 Ru4",
"formula_reduced": "LaRu2",
"formula_anonymous": "AB2",
"energy": -47.76122776,
"energy_per_atom": -7.960204626666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.76122776,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000382,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.058000Z",
"spacegroup": 227
},
{
"id": "mp-1209426",
"created_at": "2022-09-04T14:43:21.793479Z",
"structure_string": "Pr8 Pt2\n1.0\n-5.702350 -5.702350 0.000000\n-5.702350 0.000000 -5.702350\n0.000000 -5.702350 -5.702350\nPr Pt\n8 2\ndirect\n0.610513 0.610513 0.610513 Pr\n0.168461 0.610513 0.610513 Pr\n0.610513 0.168461 0.610513 Pr\n0.581539 0.139487 0.139487 Pr\n0.139487 0.139487 0.139487 Pr\n0.610513 0.610513 0.168461 Pr\n0.139487 0.581539 0.139487 Pr\n0.139487 0.139487 0.581539 Pr\n0.000000 0.000000 0.000000 Pt\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Pr",
"Pt"
],
"chemical_system": "Pr-Pt",
"density": 6.794631821762362,
"density_atomic": 0.026965494836377633,
"volume": 370.8442978954557,
"volume_molar": 22.332765619698062,
"formula_full": "Pr8 Pt2",
"formula_reduced": "Pr4Pt",
"formula_anonymous": "AB4",
"energy": -50.64917213,
"energy_per_atom": -5.064917212999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.64917213,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0072023,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.692000Z",
"spacegroup": 227
},
{
"id": "mp-505421",
"created_at": "2022-09-04T14:43:18.816882Z",
"structure_string": "Mn4 Cu2 O8\n1.0\n0.000000 4.259023 4.259023\n4.259023 0.000000 4.259023\n4.259023 4.259023 0.000000\nMn Cu O\n4 2 8\ndirect\n0.625000 0.625000 0.125000 Mn\n0.625000 0.125000 0.625000 Mn\n0.125000 0.625000 0.625000 Mn\n0.625000 0.625000 0.625000 Mn\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Cu\n0.863988 0.863988 0.863988 O\n0.841964 0.386012 0.386012 O\n0.386012 0.386012 0.841964 O\n0.386012 0.841964 0.386012 O\n0.863988 0.863988 0.408036 O\n0.863988 0.408036 0.863988 O\n0.386012 0.386012 0.386012 O\n0.408036 0.863988 0.863988 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Mn-O",
"density": 5.10312110400582,
"density_atomic": 0.09060832119690204,
"volume": 154.5111951646961,
"volume_molar": 6.646344044840224,
"formula_full": "Mn4 Cu2 O8",
"formula_reduced": "Mn2CuO4",
"formula_anonymous": "AB2C4",
"energy": -107.74262772,
"energy_per_atom": -7.69590198,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.57462772,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0016066,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:06.654000Z",
"spacegroup": 227
},
{
"id": "mp-1193869",
"created_at": "2022-09-04T14:43:18.846850Z",
"structure_string": "Co12 Mo12 C2\n1.0\n0.000000 5.432302 5.432302\n5.432302 0.000000 5.432302\n5.432302 5.432302 0.000000\nCo Mo C\n12 12 2\ndirect\n0.417380 0.417380 0.747861 Co\n0.417380 0.747861 0.417380 Co\n0.747861 0.417380 0.417380 Co\n0.417380 0.417380 0.417380 Co\n0.832620 0.832620 0.502139 Co\n0.832620 0.502139 0.832620 Co\n0.502139 0.832620 0.832620 Co\n0.832620 0.832620 0.832620 Co\n0.625000 0.625000 0.125000 Co\n0.625000 0.125000 0.625000 Co\n0.125000 0.625000 0.625000 Co\n0.625000 0.625000 0.625000 Co\n0.051868 0.051868 0.448132 Mo\n0.448132 0.051868 0.448132 Mo\n0.051868 0.448132 0.448132 Mo\n0.448132 0.448132 0.051868 Mo\n0.051868 0.448132 0.051868 Mo\n0.448132 0.051868 0.051868 Mo\n0.198132 0.198132 0.801868 Mo\n0.801868 0.198132 0.801868 Mo\n0.198132 0.801868 0.801868 Mo\n0.801868 0.801868 0.198132 Mo\n0.198132 0.801868 0.198132 Mo\n0.801868 0.198132 0.198132 Mo\n0.250000 0.250000 0.250000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Co",
"Mo",
"C"
],
"chemical_system": "C-Co-Mo",
"density": 9.749948218169244,
"density_atomic": 0.08109454375878149,
"volume": 320.6134321112638,
"volume_molar": 7.426073914310518,
"formula_full": "Co12 Mo12 C2",
"formula_reduced": "Co6Mo6C",
"formula_anonymous": "AB6C6",
"energy": -235.23842959,
"energy_per_atom": -9.047631907307693,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -235.23842959,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.125594,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.755000Z",
"spacegroup": 227
},
{
"id": "mp-1190246",
"created_at": "2022-09-04T14:43:20.031381Z",
"structure_string": "Ir4 Pb4 O14\n1.0\n0.000000 5.210088 5.210088\n5.210088 0.000000 5.210088\n5.210088 5.210088 0.000000\nIr Pb O\n4 4 14\ndirect\n0.125000 0.625000 0.625000 Ir\n0.625000 0.125000 0.625000 Ir\n0.625000 0.625000 0.125000 Ir\n0.625000 0.625000 0.625000 Ir\n0.625000 0.125000 0.125000 Pb\n0.125000 0.625000 0.125000 Pb\n0.125000 0.125000 0.625000 Pb\n0.125000 0.125000 0.125000 Pb\n0.702487 0.702487 0.297513 O\n0.297513 0.297513 0.702487 O\n0.702487 0.297513 0.702487 O\n0.297513 0.702487 0.297513 O\n0.297513 0.702487 0.702487 O\n0.702487 0.297513 0.297513 O\n0.547513 0.547513 0.952487 O\n0.952487 0.952487 0.547513 O\n0.547513 0.952487 0.547513 O\n0.952487 0.547513 0.952487 O\n0.952487 0.547513 0.547513 O\n0.547513 0.952487 0.952487 O\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ir",
"Pb",
"O"
],
"chemical_system": "Ir-O-Pb",
"density": 10.69427019301216,
"density_atomic": 0.07777813208906038,
"volume": 282.8558543268788,
"volume_molar": 7.742717134302359,
"formula_full": "Ir4 Pb4 O14",
"formula_reduced": "Ir2Pb2O7",
"formula_anonymous": "A2B2C7",
"energy": -150.83604537,
"energy_per_atom": -6.856183880454545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.21804537,
"band_gap": 0.1520000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.486000Z",
"spacegroup": 227
},
{
"id": "mp-510430",
"created_at": "2022-09-04T14:43:20.695557Z",
"structure_string": "Li26 In6\n1.0\n0.000000 6.635082 6.635082\n6.635082 0.000000 6.635082\n6.635082 6.635082 0.000000\nLi In\n26 6\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.125000 0.625000 0.125000 Li\n0.125000 0.125000 0.625000 Li\n0.625000 0.125000 0.125000 Li\n0.125000 0.125000 0.125000 Li\n0.381160 0.856520 0.381160 Li\n0.868840 0.868840 0.393480 Li\n0.393480 0.868840 0.868840 Li\n0.868840 0.868840 0.868840 Li\n0.856520 0.381160 0.381160 Li\n0.381160 0.381160 0.381160 Li\n0.381160 0.381160 0.856520 Li\n0.868840 0.393480 0.868840 Li\n0.003201 0.003201 0.496799 Li\n0.753201 0.246799 0.246799 Li\n0.246799 0.753201 0.753201 Li\n0.753201 0.753201 0.246799 Li\n0.753201 0.246799 0.753201 Li\n0.246799 0.753201 0.246799 Li\n0.496799 0.003201 0.496799 Li\n0.496799 0.003201 0.003201 Li\n0.003201 0.496799 0.496799 Li\n0.003201 0.496799 0.003201 Li\n0.246799 0.246799 0.753201 Li\n0.496799 0.496799 0.003201 Li\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 In\n0.625000 0.125000 0.625000 In\n0.625000 0.625000 0.125000 In\n0.125000 0.625000 0.625000 In\n0.625000 0.625000 0.625000 In\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Li",
"In"
],
"chemical_system": "In-Li",
"density": 2.471080343874379,
"density_atomic": 0.05477483767482657,
"volume": 584.2098554443835,
"volume_molar": 10.994356196454156,
"formula_full": "Li26 In6",
"formula_reduced": "Li13In3",
"formula_anonymous": "A3B13",
"energy": -72.73591208,
"energy_per_atom": -2.2729972525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.73591208,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002745,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:14.552000Z",
"spacegroup": 227
},
{
"id": "mp-3778",
"created_at": "2022-09-04T14:43:21.136447Z",
"structure_string": "Mg6 Al36 Cr4\n1.0\n0.000000 7.243093 7.243093\n7.243093 0.000000 7.243093\n7.243093 7.243093 0.000000\nMg Al Cr\n6 36 4\ndirect\n0.125000 0.125000 0.125000 Mg\n0.625000 0.125000 0.125000 Mg\n0.125000 0.125000 0.625000 Mg\n0.125000 0.625000 0.125000 Mg\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.450480 0.182943 0.450480 Al\n0.610531 0.889469 0.889469 Al\n0.889469 0.610531 0.610531 Al\n0.889469 0.610531 0.889469 Al\n0.360531 0.360531 0.639469 Al\n0.610531 0.610531 0.889469 Al\n0.450480 0.182943 0.916098 Al\n0.799520 0.799520 0.067057 Al\n0.067057 0.333902 0.799520 Al\n0.799520 0.333902 0.799520 Al\n0.333902 0.799520 0.067057 Al\n0.333902 0.799520 0.799520 Al\n0.067057 0.799520 0.799520 Al\n0.916098 0.182943 0.450480 Al\n0.182943 0.916098 0.450480 Al\n0.182943 0.450480 0.916098 Al\n0.450480 0.450480 0.916098 Al\n0.450480 0.916098 0.450480 Al\n0.916098 0.450480 0.182943 Al\n0.450480 0.450480 0.182943 Al\n0.639469 0.360531 0.639469 Al\n0.067057 0.799520 0.333902 Al\n0.799520 0.799520 0.333902 Al\n0.799520 0.333902 0.067057 Al\n0.799520 0.067057 0.333902 Al\n0.333902 0.067057 0.799520 Al\n0.799520 0.067057 0.799520 Al\n0.916098 0.450480 0.450480 Al\n0.182943 0.450480 0.450480 Al\n0.450480 0.916098 0.182943 Al\n0.889469 0.889469 0.610531 Al\n0.639469 0.360531 0.360531 Al\n0.360531 0.639469 0.639469 Al\n0.639469 0.639469 0.360531 Al\n0.360531 0.639469 0.360531 Al\n0.610531 0.889469 0.610531 Al\n0.625000 0.625000 0.625000 Cr\n0.125000 0.625000 0.625000 Cr\n0.625000 0.625000 0.125000 Cr\n0.625000 0.125000 0.625000 Cr\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Mg",
"density": 2.8954221287958872,
"density_atomic": 0.06052790628324127,
"volume": 759.9800294552118,
"volume_molar": 9.949362417757024,
"formula_full": "Mg6 Al36 Cr4",
"formula_reduced": "Mg3(Al9Cr)2",
"formula_anonymous": "A2B3C18",
"energy": -187.62887737,
"energy_per_atom": -4.0788886384782606,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.62887737,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4009654,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.048000Z",
"spacegroup": 227
},
{
"id": "mp-1214184",
"created_at": "2022-09-04T14:43:21.216739Z",
"structure_string": "Be2 Ag8\n1.0\n-4.525266 -4.525266 0.000000\n-4.525266 0.000000 -4.525266\n0.000000 -4.525266 -4.525266\nBe Ag\n2 8\ndirect\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 Be\n0.610296 0.610296 0.610296 Ag\n0.169112 0.610296 0.610296 Ag\n0.610296 0.169112 0.610296 Ag\n0.580888 0.139704 0.139704 Ag\n0.139704 0.139704 0.139704 Ag\n0.610296 0.610296 0.169112 Ag\n0.139704 0.580888 0.139704 Ag\n0.139704 0.139704 0.580888 Ag\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Be",
"Ag"
],
"chemical_system": "Ag-Be",
"density": 7.893104738413197,
"density_atomic": 0.053955741656333905,
"volume": 185.33708726856307,
"volume_molar": 11.16126027579691,
"formula_full": "Be2 Ag8",
"formula_reduced": "BeAg4",
"formula_anonymous": "AB4",
"energy": -25.16762988,
"energy_per_atom": -2.516762988,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.16762988,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063398,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.078000Z",
"spacegroup": 227
},
{
"id": "mp-276",
"created_at": "2022-09-04T14:43:23.559019Z",
"structure_string": "Tb2 Ni4\n1.0\n0.000000 3.584166 3.584166\n3.584166 0.000000 3.584166\n3.584166 3.584166 0.000000\nTb Ni\n2 4\ndirect\n0.250000 0.250000 0.250000 Tb\n0.000000 0.000000 0.000000 Tb\n0.625000 0.625000 0.125000 Ni\n0.625000 0.125000 0.625000 Ni\n0.125000 0.625000 0.625000 Ni\n0.625000 0.625000 0.625000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tb",
"Ni"
],
"chemical_system": "Ni-Tb",
"density": 9.965170470659148,
"density_atomic": 0.06515637400575067,
"volume": 92.08615567634938,
"volume_molar": 9.24259652550415,
"formula_full": "Tb2 Ni4",
"formula_reduced": "TbNi2",
"formula_anonymous": "AB2",
"energy": -34.98371251,
"energy_per_atom": -5.830618751666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.98371251,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001044,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:17.930000Z",
"spacegroup": 227
}
]
}