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=is_magnetic&page=11539",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=11537",
"results": [
{
"id": "mp-1221928",
"created_at": "2022-09-04T14:42:50.311954Z",
"structure_string": "Mn1 Cu2 Sn3 S8\n1.0\n6.373896 -3.720298 0.000000\n6.373896 3.720298 0.000000\n4.202443 0.000000 6.066848\nMn Cu Sn S\n1 2 3 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.381399 0.381399 0.381399 Cu\n0.618601 0.618601 0.618601 Cu\n0.000000 0.500000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.758288 0.237099 0.758288 S\n0.749138 0.749138 0.749138 S\n0.762901 0.241712 0.241712 S\n0.241712 0.241712 0.762901 S\n0.241712 0.762901 0.241712 S\n0.250862 0.250862 0.250862 S\n0.237099 0.758288 0.758288 S\n0.758288 0.758288 0.237099 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mn",
"Cu",
"Sn",
"S"
],
"chemical_system": "Cu-Mn-S-Sn",
"density": 4.586333097129387,
"density_atomic": 0.04865777256277588,
"volume": 287.72381600365867,
"volume_molar": 12.376523714131237,
"formula_full": "Mn1 Cu2 Sn3 S8",
"formula_reduced": "MnCu2Sn3S8",
"formula_anonymous": "AB2C3D8",
"energy": -72.03010543,
"energy_per_atom": -5.145007530714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.00610543,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6820915,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.433000Z",
"spacegroup": 166
},
{
"id": "mp-1096267",
"created_at": "2022-09-04T14:42:51.534931Z",
"structure_string": "Ca1 Pb1 Au2\n1.0\n-5.546765 5.797597 9.138252\n5.546765 -5.797597 9.138252\n5.546765 5.797597 -9.138252\nCa Pb Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Pb\n0.000000 0.245413 0.245413 Au\n0.000000 0.754587 0.754587 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Pb",
"Au"
],
"chemical_system": "Au-Ca-Pb",
"density": 0.9058144478480741,
"density_atomic": 0.003402899161285556,
"volume": 1175.4682729090537,
"volume_molar": 176.97088495931038,
"formula_full": "Ca1 Pb1 Au2",
"formula_reduced": "CaPbAu2",
"formula_anonymous": "ABC2",
"energy": -9.04968026,
"energy_per_atom": -2.262420065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.04968026,
"band_gap": 0.7689000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9942516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.982000Z",
"spacegroup": 71
},
{
"id": "mp-1193240",
"created_at": "2022-09-04T14:42:43.631130Z",
"structure_string": "U2 Hg5 As2 O18\n1.0\n7.007717 0.000000 0.000000\n-0.642494 7.185482 0.000000\n-3.210170 -2.905448 8.693933\nU Hg As O\n2 5 2 18\ndirect\n0.628986 0.003419 0.210664 U\n0.371014 0.996581 0.789336 U\n0.000000 0.500000 0.500000 Hg\n0.927411 0.268014 0.043395 Hg\n0.072589 0.731986 0.956605 Hg\n0.392290 0.570910 0.311499 Hg\n0.607710 0.429090 0.688501 Hg\n0.772996 0.936559 0.604263 As\n0.227004 0.063441 0.395737 As\n0.788310 0.041563 0.469316 O\n0.211690 0.958437 0.530684 O\n0.006498 0.930461 0.733057 O\n0.993502 0.069539 0.266943 O\n0.642827 0.071496 0.705250 O\n0.357173 0.928504 0.294750 O\n0.649748 0.688068 0.520125 O\n0.350252 0.311932 0.479875 O\n0.043299 0.550734 0.318549 O\n0.956701 0.449266 0.681451 O\n0.194200 0.447330 0.080817 O\n0.805800 0.552670 0.919183 O\n0.678716 0.058076 0.998786 O\n0.321284 0.941924 0.001214 O\n0.625160 0.739746 0.162688 O\n0.374840 0.260254 0.837312 O\n0.618158 0.266707 0.269461 O\n0.381842 0.733293 0.730539 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
"U",
"Hg",
"As",
"O"
],
"chemical_system": "As-Hg-O-U",
"density": 7.270868014614998,
"density_atomic": 0.06167583166927551,
"volume": 437.7727753195478,
"volume_molar": 9.764182495815449,
"formula_full": "U2 Hg5 As2 O18",
"formula_reduced": "U2Hg5(AsO9)2",
"formula_anonymous": "A2B2C5D18",
"energy": -166.65167617,
"energy_per_atom": -6.172284302592593,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.28567617,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9967466,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.503000Z",
"spacegroup": 2
},
{
"id": "mp-1079901",
"created_at": "2022-09-04T14:42:47.761910Z",
"structure_string": "Ba4 Cr2 Mo2 O12\n1.0\n-4.108343 -4.108441 -0.000017\n-0.000169 0.000222 -8.005691\n4.108244 -4.108341 0.000160\nBa Cr Mo O\n4 2 2 12\ndirect\n0.500047 0.250002 0.000045 Ba\n0.999996 0.749997 0.499886 Ba\n0.499994 0.749997 0.000012 Ba\n0.000045 0.250003 0.499931 Ba\n0.499939 0.500234 0.500375 Cr\n0.000025 0.999804 0.999900 Cr\n0.499986 0.000097 0.499904 Mo\n0.999972 0.499833 0.000161 Mo\n0.000004 0.256210 0.999918 O\n0.499990 0.756186 0.500049 O\n0.250089 0.500010 0.250099 O\n0.750128 0.999977 0.750112 O\n0.250121 0.500003 0.749875 O\n0.750131 0.999970 0.249848 O\n0.999962 0.743887 0.999937 O\n0.500037 0.243817 0.500019 O\n0.749871 0.500004 0.749876 O\n0.249876 0.999975 0.249855 O\n0.749908 0.500010 0.250094 O\n0.249879 0.999982 0.750103 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Cr",
"Mo",
"O"
],
"chemical_system": "Ba-Cr-Mo-O",
"density": 6.372916817232361,
"density_atomic": 0.0740061728147711,
"volume": 270.2477271734844,
"volume_molar": 8.137349265544,
"formula_full": "Ba4 Cr2 Mo2 O12",
"formula_reduced": "Ba2CrMoO6",
"formula_anonymous": "ABC2D6",
"energy": -161.25296889999998,
"energy_per_atom": -8.062648444999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -142.6069689,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.836000Z",
"spacegroup": 225
},
{
"id": "mp-975346",
"created_at": "2022-09-04T14:42:47.943732Z",
"structure_string": "Rb1 Mn1 O3\n1.0\n4.039265 0.000000 0.000000\n0.000000 4.039265 0.000000\n0.000000 0.000000 4.039265\nRb Mn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"O"
],
"chemical_system": "Mn-O-Rb",
"density": 4.747142635255059,
"density_atomic": 0.07586875634008468,
"volume": 65.90328141912995,
"volume_molar": 7.937576745037863,
"formula_full": "Rb1 Mn1 O3",
"formula_reduced": "RbMnO3",
"formula_anonymous": "ABC3",
"energy": -31.87687317,
"energy_per_atom": -6.375374634,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.14787317,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9943766,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.022000Z",
"spacegroup": 221
},
{
"id": "mp-1204612",
"created_at": "2022-09-04T14:42:50.342139Z",
"structure_string": "Ce16 C4 I24 N4\n1.0\n14.088599 0.000000 0.000000\n0.000000 14.088599 0.000000\n0.000000 0.000000 9.616453\nCe C I N\n16 4 24 4\ndirect\n0.909896 0.090104 0.500000 Ce\n0.090104 0.909896 0.500000 Ce\n0.409896 0.409896 0.000000 Ce\n0.590104 0.590104 0.000000 Ce\n0.586901 0.413099 0.309229 Ce\n0.413099 0.586901 0.309229 Ce\n0.086901 0.086901 0.809229 Ce\n0.913099 0.913099 0.809229 Ce\n0.413099 0.586901 0.690771 Ce\n0.586901 0.413099 0.690771 Ce\n0.913099 0.913099 0.190771 Ce\n0.086901 0.086901 0.190771 Ce\n0.347502 0.347502 0.500000 Ce\n0.652498 0.652498 0.500000 Ce\n0.847502 0.152498 0.000000 Ce\n0.152498 0.847502 0.000000 Ce\n0.464174 0.464174 0.500000 C\n0.535826 0.535826 0.500000 C\n0.964174 0.035826 0.000000 C\n0.035826 0.964174 0.000000 C\n0.719492 0.280508 0.500000 I\n0.280508 0.719492 0.500000 I\n0.219492 0.219492 0.000000 I\n0.780508 0.780508 0.000000 I\n0.170933 0.170933 0.500000 I\n0.829067 0.829067 0.500000 I\n0.670933 0.329067 0.000000 I\n0.329067 0.670933 0.000000 I\n0.735967 0.049348 0.248342 I\n0.264033 0.950652 0.248342 I\n0.235967 0.450652 0.748342 I\n0.764033 0.549348 0.748342 I\n0.264033 0.950652 0.751658 I\n0.735967 0.049348 0.751658 I\n0.764033 0.549348 0.251658 I\n0.235967 0.450652 0.251658 I\n0.049348 0.735967 0.248342 I\n0.950652 0.264033 0.248342 I\n0.450652 0.235967 0.748342 I\n0.549348 0.764033 0.748342 I\n0.950652 0.264033 0.751658 I\n0.049348 0.735967 0.751658 I\n0.549348 0.764033 0.251658 I\n0.450652 0.235967 0.251658 I\n0.500000 0.500000 0.151586 N\n0.000000 0.000000 0.651586 N\n0.500000 0.500000 0.848414 N\n0.000000 0.000000 0.348414 N\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Ce",
"C",
"I",
"N"
],
"chemical_system": "C-Ce-I-N",
"density": 4.690497199986105,
"density_atomic": 0.025147262073196966,
"volume": 1908.756502409082,
"volume_molar": 23.94750069598494,
"formula_full": "Ce16 C4 I24 N4",
"formula_reduced": "Ce4CI6N",
"formula_anonymous": "ABC4D6",
"energy": -275.78990024,
"energy_per_atom": -5.7456229216666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -265.24990024,
"band_gap": 0.0080999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 16.0000001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52.301000Z",
"spacegroup": 136
},
{
"id": "mp-769478",
"created_at": "2022-09-04T14:42:50.342596Z",
"structure_string": "Li8 Ti8 V8 Co2 O36\n1.0\n2.978348 0.000000 0.000000\n0.000000 9.280999 0.000000\n0.000000 0.000000 24.368624\nLi Ti V Co O\n8 8 8 2 36\ndirect\n0.000000 0.196399 0.492765 Li\n0.000000 0.186563 0.689946 Li\n0.000000 0.313437 0.189946 Li\n0.000000 0.303601 0.992765 Li\n0.000000 0.696399 0.007235 Li\n0.000000 0.686563 0.810054 Li\n0.000000 0.813437 0.310054 Li\n0.000000 0.803601 0.507235 Li\n0.000000 0.985605 0.600726 Ti\n0.500000 0.168776 0.305579 Ti\n0.500000 0.331224 0.805579 Ti\n0.000000 0.514395 0.100726 Ti\n0.000000 0.485605 0.899274 Ti\n0.500000 0.668776 0.194421 Ti\n0.500000 0.831224 0.694421 Ti\n0.000000 0.014395 0.399274 Ti\n0.000000 0.989528 0.818341 V\n0.500000 0.162033 0.087586 V\n0.500000 0.337967 0.587586 V\n0.000000 0.510472 0.318341 V\n0.000000 0.489528 0.681659 V\n0.500000 0.662033 0.412414 V\n0.500000 0.837967 0.912414 V\n0.000000 0.010472 0.181659 V\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.979085 0.904191 O\n0.000000 0.020915 0.095809 O\n0.500000 0.068265 0.444849 O\n0.500000 0.029998 0.658025 O\n0.500000 0.162410 0.165349 O\n0.000000 0.120870 0.255298 O\n0.500000 0.148465 0.010379 O\n0.500000 0.124554 0.795663 O\n0.000000 0.194473 0.358162 O\n0.000000 0.191843 0.582378 O\n0.000000 0.308157 0.082378 O\n0.000000 0.305527 0.858162 O\n0.500000 0.375446 0.295663 O\n0.500000 0.351535 0.510379 O\n0.000000 0.379130 0.755298 O\n0.500000 0.337590 0.665349 O\n0.500000 0.470002 0.158025 O\n0.500000 0.431735 0.944849 O\n0.000000 0.479085 0.595809 O\n0.000000 0.520915 0.404191 O\n0.500000 0.568265 0.055151 O\n0.500000 0.529998 0.841975 O\n0.500000 0.662410 0.334651 O\n0.000000 0.620870 0.244702 O\n0.500000 0.648465 0.489621 O\n0.500000 0.624554 0.704337 O\n0.000000 0.694473 0.141838 O\n0.000000 0.691843 0.917622 O\n0.000000 0.808157 0.417622 O\n0.000000 0.805527 0.641838 O\n0.500000 0.875446 0.204337 O\n0.500000 0.851535 0.989621 O\n0.000000 0.879130 0.744702 O\n0.500000 0.837590 0.834651 O\n0.500000 0.970002 0.341975 O\n0.500000 0.931735 0.555151 O\n",
"nsites": 62,
"nelements": 5,
"elements": [
"Li",
"Ti",
"V",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti-V",
"density": 3.795978496996031,
"density_atomic": 0.09204294711546643,
"volume": 673.5985965575611,
"volume_molar": 6.54275091001304,
"formula_full": "Li8 Ti8 V8 Co2 O36",
"formula_reduced": "Li4Ti4V4CoO18",
"formula_anonymous": "AB4C4D4E18",
"energy": -514.20146578,
"energy_per_atom": -8.293572028709677,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -472.59346578,
"band_gap": 0.8820000000000006,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 18.0821357,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.946000Z",
"spacegroup": 55
},
{
"id": "mp-559180",
"created_at": "2022-09-04T14:42:43.658303Z",
"structure_string": "Ba16 Cu8 B16 O48\n1.0\n8.315471 0.000000 0.000000\n0.000000 11.263865 0.000000\n0.000000 0.000000 14.160574\nBa Cu B O\n16 8 16 48\ndirect\n0.340536 0.981451 0.217437 Ba\n0.340536 0.518549 0.217437 Ba\n0.840536 0.981451 0.282563 Ba\n0.500000 0.000000 0.500000 Ba\n0.840536 0.518549 0.282563 Ba\n0.659464 0.481451 0.782563 Ba\n0.000000 0.000000 0.000000 Ba\n0.159464 0.018549 0.717437 Ba\n0.000000 0.500000 0.000000 Ba\n0.159464 0.481451 0.717437 Ba\n0.616307 0.750000 0.046170 Ba\n0.116307 0.750000 0.453830 Ba\n0.383693 0.250000 0.953830 Ba\n0.659464 0.018549 0.782563 Ba\n0.883693 0.250000 0.546170 Ba\n0.500000 0.500000 0.500000 Ba\n0.800037 0.250000 0.927056 Cu\n0.699963 0.750000 0.427056 Cu\n0.456732 0.750000 0.800926 Cu\n0.199963 0.750000 0.072944 Cu\n0.956732 0.750000 0.699074 Cu\n0.043268 0.250000 0.300926 Cu\n0.300037 0.250000 0.572944 Cu\n0.543268 0.250000 0.199074 Cu\n0.020192 0.750000 0.206426 B\n0.861647 0.570155 0.564658 B\n0.638353 0.070155 0.064658 B\n0.638353 0.429845 0.064658 B\n0.979808 0.250000 0.793574 B\n0.361647 0.929845 0.935342 B\n0.361647 0.570155 0.935342 B\n0.427785 0.750000 0.632316 B\n0.861647 0.929845 0.564658 B\n0.479808 0.250000 0.706426 B\n0.138353 0.070155 0.435342 B\n0.520192 0.750000 0.293574 B\n0.927785 0.750000 0.867684 B\n0.138353 0.429845 0.435342 B\n0.572215 0.250000 0.367684 B\n0.072215 0.250000 0.132316 B\n0.804190 0.608037 0.476404 O\n0.585234 0.250000 0.462815 O\n0.935041 0.645627 0.812187 O\n0.564959 0.145627 0.312187 O\n0.435172 0.750000 0.211482 O\n0.207144 0.973409 0.392578 O\n0.005807 0.371626 0.395393 O\n0.792856 0.473409 0.607422 O\n0.792856 0.026591 0.607422 O\n0.064959 0.354373 0.187813 O\n0.414766 0.750000 0.537185 O\n0.568371 0.645491 0.338914 O\n0.304190 0.891963 0.023596 O\n0.804190 0.891963 0.476404 O\n0.064828 0.250000 0.711482 O\n0.068371 0.645491 0.161086 O\n0.304190 0.608037 0.023596 O\n0.931629 0.145491 0.838914 O\n0.195810 0.108037 0.523596 O\n0.435041 0.854373 0.687813 O\n0.564959 0.354373 0.312187 O\n0.935172 0.750000 0.288518 O\n0.085234 0.250000 0.037185 O\n0.207144 0.526591 0.392578 O\n0.005807 0.128374 0.395393 O\n0.695810 0.391963 0.976404 O\n0.431629 0.354509 0.661086 O\n0.431629 0.145491 0.661086 O\n0.292856 0.473409 0.892578 O\n0.505807 0.371626 0.104607 O\n0.931629 0.354509 0.838914 O\n0.564828 0.250000 0.788518 O\n0.494193 0.628374 0.895393 O\n0.707144 0.526591 0.107422 O\n0.994193 0.628374 0.604607 O\n0.707144 0.973409 0.107422 O\n0.292856 0.026591 0.892578 O\n0.695810 0.108037 0.976404 O\n0.568371 0.854509 0.338914 O\n0.505807 0.128374 0.104607 O\n0.935041 0.854373 0.812187 O\n0.994193 0.871626 0.604607 O\n0.494193 0.871626 0.895393 O\n0.068371 0.854509 0.161086 O\n0.064959 0.145627 0.187813 O\n0.195810 0.391963 0.523596 O\n0.914766 0.750000 0.962815 O\n0.435041 0.645627 0.687813 O\n",
"nsites": 88,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"B",
"O"
],
"chemical_system": "B-Ba-Cu-O",
"density": 4.565367984396519,
"density_atomic": 0.06634795237754303,
"volume": 1326.340856749418,
"volume_molar": 9.076603789868171,
"formula_full": "Ba16 Cu8 B16 O48",
"formula_reduced": "Ba2Cu(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -648.7246935,
"energy_per_atom": -7.371871517045454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -615.7486935,
"band_gap": 2.1333,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0030315,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.468000Z",
"spacegroup": 62
},
{
"id": "mp-1399256",
"created_at": "2022-09-04T14:42:48.288001Z",
"structure_string": "Mg4 Mn4 O8\n1.0\n3.098691 0.000000 0.000000\n0.000000 7.592897 0.000000\n0.000000 2.533053 7.182772\nMg Mn O\n4 4 8\ndirect\n0.250000 0.438542 0.182705 Mg\n0.750000 0.561458 0.817295 Mg\n0.750000 0.809868 0.062227 Mg\n0.250000 0.190132 0.937773 Mg\n0.750000 0.314757 0.562954 Mn\n0.750000 0.063485 0.305554 Mn\n0.250000 0.936515 0.694446 Mn\n0.250000 0.685243 0.437046 Mn\n0.750000 0.805639 0.571145 O\n0.750000 0.063995 0.824139 O\n0.250000 0.936005 0.175861 O\n0.250000 0.194361 0.428855 O\n0.250000 0.437696 0.699894 O\n0.750000 0.318332 0.055825 O\n0.750000 0.562304 0.300106 O\n0.250000 0.681668 0.944175 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.372193876798143,
"density_atomic": 0.09467648424992442,
"volume": 168.996558403707,
"volume_molar": 6.360756641641779,
"formula_full": "Mg4 Mn4 O8",
"formula_reduced": "MgMnO2",
"formula_anonymous": "ABC2",
"energy": -122.42823951,
"energy_per_atom": -7.651764969375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.26023951,
"band_gap": 1.3982,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9998057,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.576000Z",
"spacegroup": 11
},
{
"id": "mp-1097284",
"created_at": "2022-09-04T14:42:43.654889Z",
"structure_string": "Ag1 Sn1 Rh2\n1.0\n-5.117506 5.306156 7.699717\n5.117506 -5.306156 7.699717\n5.117506 5.306156 -7.699717\nAg Sn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Sn\n0.000000 0.261997 0.261997 Rh\n0.000000 0.738003 0.738003 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Sn",
"Rh"
],
"chemical_system": "Ag-Rh-Sn",
"density": 0.8585207697468722,
"density_atomic": 0.004782851118932574,
"volume": 836.3212444908197,
"volume_molar": 125.91110637255228,
"formula_full": "Ag1 Sn1 Rh2",
"formula_reduced": "AgSnRh2",
"formula_anonymous": "ABC2",
"energy": -12.45204523,
"energy_per_atom": -3.1130113075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.45204523,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2560898,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.195000Z",
"spacegroup": 71
},
{
"id": "mp-1406883",
"created_at": "2022-09-04T14:42:43.655942Z",
"structure_string": "Mg4 Ti4 O8\n1.0\n2.885687 0.000000 0.000000\n1.440258 7.765161 0.000000\n1.406525 0.213866 8.283508\nMg Ti O\n4 4 8\ndirect\n0.839721 0.558937 0.245724 Mg\n0.160279 0.441063 0.754276 Mg\n0.594411 0.225793 0.075024 Mg\n0.405589 0.774207 0.924976 Mg\n0.057192 0.795938 0.590799 Ti\n0.650480 0.911824 0.280451 Ti\n0.349520 0.088176 0.719549 Ti\n0.942808 0.204062 0.409201 Ti\n0.331217 0.280223 0.562985 O\n0.882644 0.919386 0.824426 O\n0.117356 0.080614 0.175574 O\n0.668783 0.719777 0.437015 O\n0.576857 0.627422 0.732236 O\n0.291534 0.740774 0.160081 O\n0.423143 0.372578 0.267764 O\n0.708466 0.259226 0.839919 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"O"
],
"chemical_system": "Mg-O-Ti",
"density": 3.727701295170337,
"density_atomic": 0.08619974856104737,
"volume": 185.61539061414626,
"volume_molar": 6.986262559379822,
"formula_full": "Mg4 Ti4 O8",
"formula_reduced": "MgTiO2",
"formula_anonymous": "ABC2",
"energy": -121.52861392,
"energy_per_atom": -7.59553837,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -116.03261392,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0465718,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.209000Z",
"spacegroup": 2
},
{
"id": "mp-1213431",
"created_at": "2022-09-04T14:42:52.878597Z",
"structure_string": "Eu2 In12 Ni14\n1.0\n-4.056513 4.674230 6.267878\n4.056513 -4.674230 6.267878\n4.056513 4.674230 -6.267878\nEu In Ni\n2 12 14\ndirect\n0.250000 0.750000 0.500000 Eu\n0.750000 0.250000 0.500000 Eu\n0.044768 0.323208 0.367976 In\n0.955232 0.676792 0.632024 In\n0.544768 0.176792 0.721560 In\n0.455232 0.823208 0.278440 In\n0.551692 0.535331 0.367633 In\n0.448308 0.464669 0.632367 In\n0.167698 0.184059 0.632367 In\n0.332302 0.964669 0.016361 In\n0.832302 0.815941 0.367633 In\n0.667698 0.035331 0.983639 In\n0.948308 0.315941 0.983639 In\n0.051692 0.684059 0.016361 In\n0.259555 0.073589 0.333145 Ni\n0.740445 0.926411 0.666855 Ni\n0.759555 0.426411 0.185966 Ni\n0.240445 0.573589 0.814034 Ni\n0.258960 0.292820 0.209458 Ni\n0.741040 0.707180 0.790542 Ni\n0.083361 0.049502 0.790542 Ni\n0.416639 0.207180 0.966141 Ni\n0.916639 0.950498 0.209458 Ni\n0.583361 0.792820 0.033859 Ni\n0.241040 0.450498 0.033859 Ni\n0.758960 0.549502 0.966141 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Eu",
"In",
"Ni"
],
"chemical_system": "Eu-In-Ni",
"density": 8.744698096262265,
"density_atomic": 0.05889989964306229,
"volume": 475.3828133779863,
"volume_molar": 10.224365060882304,
"formula_full": "Eu2 In12 Ni14",
"formula_reduced": "EuIn6Ni7",
"formula_anonymous": "AB6C7",
"energy": -140.15036398,
"energy_per_atom": -5.005370142142858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.15036398,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.7037731,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.421000Z",
"spacegroup": 72
}
]
}