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=49",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=47",
"results": [
{
"id": "mp-1044537",
"created_at": "2022-09-04T14:44:17.892859Z",
"structure_string": "Ca2 V6 P8 O28\n1.0\n7.862992 0.000000 0.000000\n0.000000 7.608535 0.000000\n0.000000 3.571403 8.930739\nCa V P O\n2 6 8 28\ndirect\n0.000000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.129006 0.811739 0.525512 V\n0.629006 0.188261 0.974488 V\n0.870994 0.188261 0.474488 V\n0.370994 0.811739 0.025512 V\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.935919 0.400154 0.705779 P\n0.435919 0.599846 0.794221 P\n0.064081 0.599846 0.294221 P\n0.564081 0.400154 0.205779 P\n0.203241 0.124152 0.688891 P\n0.703241 0.875848 0.811109 P\n0.796759 0.875848 0.311109 P\n0.296759 0.124152 0.188891 P\n0.372399 0.178095 0.606082 O\n0.872399 0.821905 0.893918 O\n0.627601 0.821905 0.393918 O\n0.127601 0.178095 0.106082 O\n0.384170 0.724673 0.629817 O\n0.884170 0.275327 0.870183 O\n0.615830 0.275327 0.370183 O\n0.115830 0.724673 0.129817 O\n0.809249 0.380789 0.592098 O\n0.309249 0.619211 0.907902 O\n0.190751 0.619211 0.407902 O\n0.690751 0.380789 0.092098 O\n0.118326 0.322678 0.676511 O\n0.618326 0.677322 0.823489 O\n0.881674 0.677322 0.323489 O\n0.381674 0.322678 0.176511 O\n0.522171 0.597596 0.200763 O\n0.022171 0.402404 0.299237 O\n0.477829 0.402404 0.799237 O\n0.977829 0.597596 0.700763 O\n0.786199 0.988874 0.142318 O\n0.286199 0.011126 0.357682 O\n0.213801 0.011126 0.857682 O\n0.713801 0.988874 0.642318 O\n0.419421 0.033580 0.111009 O\n0.919421 0.966420 0.388991 O\n0.580579 0.966420 0.888991 O\n0.080579 0.033580 0.611009 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Ca",
"V",
"P",
"O"
],
"chemical_system": "Ca-O-P-V",
"density": 3.361481978594082,
"density_atomic": 0.08235242697111879,
"volume": 534.289050344939,
"volume_molar": 7.312645153872612,
"formula_full": "Ca2 V6 P8 O28",
"formula_reduced": "CaV3(P2O7)2",
"formula_anonymous": "AB3C4D14",
"energy": -361.50432323,
"energy_per_atom": -8.216007346136363,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -332.06832323,
"band_gap": 2.6225,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0015317,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.738000Z",
"spacegroup": 14
},
{
"id": "mp-1177742",
"created_at": "2022-09-04T14:44:17.893916Z",
"structure_string": "Li6 Mn6 Co2 O16\n1.0\n5.027560 2.952812 0.000000\n-5.027560 2.952812 0.000000\n0.000000 0.111918 9.544470\nLi Mn Co O\n6 6 2 16\ndirect\n0.165238 0.818722 0.443632 Li\n0.169581 0.349559 0.443079 Li\n0.648266 0.823616 0.443482 Li\n0.349559 0.169581 0.943079 Li\n0.823616 0.648266 0.943482 Li\n0.818722 0.165238 0.943632 Li\n0.167478 0.834122 0.714244 Mn\n0.168057 0.336405 0.714908 Mn\n0.665089 0.833022 0.715059 Mn\n0.336405 0.168057 0.214908 Mn\n0.833022 0.665089 0.215059 Mn\n0.834122 0.167478 0.214244 Mn\n0.335318 0.673399 0.997375 Co\n0.673399 0.335318 0.497375 Co\n0.161304 0.851148 0.103551 O\n0.030337 0.517837 0.835533 O\n0.302237 0.651810 0.595542 O\n0.478976 0.966506 0.832385 O\n0.158582 0.320349 0.101485 O\n0.480399 0.513707 0.835093 O\n0.692008 0.852195 0.099262 O\n0.320349 0.158582 0.601485 O\n0.513707 0.480399 0.335093 O\n0.651810 0.302237 0.095542 O\n0.852195 0.692008 0.599262 O\n0.032321 0.018044 0.828315 O\n0.018044 0.032321 0.328315 O\n0.517837 0.030337 0.335533 O\n0.966506 0.478976 0.332385 O\n0.851148 0.161304 0.603551 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.3662328425837655,
"density_atomic": 0.10586353269743322,
"volume": 283.3837038646962,
"volume_molar": 5.688588512544523,
"formula_full": "Li6 Mn6 Co2 O16",
"formula_reduced": "Li3Mn3CoO8",
"formula_anonymous": "AB3C3D8",
"energy": -217.36928596,
"energy_per_atom": -7.245642865333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.09328596,
"band_gap": 0.4584000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 25.9997182,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.183000Z",
"spacegroup": 9
},
{
"id": "mp-1226981",
"created_at": "2022-09-04T14:44:16.426290Z",
"structure_string": "Ce1 Ga7 Fe5\n1.0\n0.000000 0.000000 5.040531\n-4.363598 4.341579 2.520266\n-4.363598 -4.341579 -2.520266\nCe Ga Fe\n1 7 5\ndirect\n0.005659 0.994341 0.005659 Ce\n0.657270 0.342730 0.657270 Ga\n0.340239 0.659761 0.340239 Ga\n0.990277 0.353342 0.333896 Ga\n0.990277 0.666104 0.646658 Ga\n0.272500 0.227500 0.772500 Ga\n0.506054 0.783528 0.795635 Ga\n0.506054 0.204365 0.216472 Ga\n0.496118 0.001068 0.499273 Fe\n0.002086 0.001068 0.499273 Fe\n0.496118 0.500727 0.998932 Fe\n0.002086 0.500727 0.998932 Fe\n0.735262 0.764738 0.235262 Fe\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ce",
"Ga",
"Fe"
],
"chemical_system": "Ce-Fe-Ga",
"density": 7.889511289344708,
"density_atomic": 0.06806825617201698,
"volume": 190.98476633729794,
"volume_molar": 8.847208814607061,
"formula_full": "Ce1 Ga7 Fe5",
"formula_reduced": "CeGa7Fe5",
"formula_anonymous": "AB5C7",
"energy": -73.1356052,
"energy_per_atom": -5.6258157846153845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.1356052,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.7257654,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.439000Z",
"spacegroup": 44
},
{
"id": "mp-759829",
"created_at": "2022-09-04T14:44:15.982619Z",
"structure_string": "V8 O4 F20\n1.0\n4.706611 0.000000 0.000000\n-0.009625 5.064013 0.000000\n-0.086476 -0.234419 17.365328\nV O F\n8 4 20\ndirect\n0.002837 0.255811 0.951775 V\n0.020804 0.758726 0.716510 V\n0.027189 0.767302 0.056236 V\n0.477665 0.767992 0.557374 V\n0.495014 0.237877 0.787802 V\n0.500277 0.253359 0.451158 V\n0.499757 0.751009 0.212549 V\n0.976474 0.281702 0.288663 V\n0.245798 0.865797 0.626300 O\n0.236008 0.930251 0.778109 O\n0.254869 0.864804 0.126359 O\n0.759352 0.547781 0.281857 O\n0.220867 0.928109 0.966711 F\n0.245386 0.950805 0.282978 F\n0.251827 0.432785 0.714620 F\n0.240283 0.392816 0.370291 F\n0.222661 0.427201 0.036729 F\n0.257018 0.395130 0.872361 F\n0.281476 0.428280 0.535755 F\n0.252032 0.424673 0.214649 F\n0.282530 0.927699 0.467065 F\n0.708434 0.578352 0.471518 F\n0.717908 0.067796 0.535827 F\n0.752238 0.560769 0.781630 F\n0.741721 0.112718 0.870526 F\n0.759478 0.066297 0.213629 F\n0.745477 0.614729 0.126158 F\n0.759912 0.622044 0.629436 F\n0.751970 0.060166 0.711870 F\n0.758474 0.109789 0.371269 F\n0.795146 0.580505 0.969735 F\n0.785940 0.067768 0.035769 F\n",
"nsites": 32,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.416224871234581,
"density_atomic": 0.07731501957284376,
"volume": 413.8911194331473,
"volume_molar": 7.789095564188702,
"formula_full": "V8 O4 F20",
"formula_reduced": "V2OF5",
"formula_anonymous": "AB2C5",
"energy": -226.44173629,
"energy_per_atom": -7.0763042590625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -200.85373629,
"band_gap": 1.3005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.474000Z",
"spacegroup": 1
},
{
"id": "mp-774589",
"created_at": "2022-09-04T14:44:16.430115Z",
"structure_string": "Ti3 Mn2 V1 P6 O24\n1.0\n7.525212 -4.333668 0.000000\n7.525212 4.333668 0.000000\n5.029511 0.000000 7.079090\nTi Mn V P O\n3 2 1 6 24\ndirect\n0.645785 0.645785 0.645785 Ti\n0.854951 0.854951 0.854951 Ti\n0.353463 0.353463 0.353463 Ti\n0.000431 0.000431 0.000431 Mn\n0.500707 0.500707 0.500707 Mn\n0.142967 0.142967 0.142967 V\n0.956174 0.249585 0.542266 P\n0.542266 0.956174 0.249585 P\n0.249585 0.542266 0.956174 P\n0.749266 0.456745 0.043846 P\n0.456745 0.043846 0.749266 P\n0.043846 0.749266 0.456745 P\n0.500035 0.119424 0.309570 O\n0.309570 0.500035 0.119424 O\n0.119424 0.309570 0.500035 O\n0.941195 0.086359 0.737336 O\n0.990513 0.194096 0.387457 O\n0.762960 0.415591 0.564378 O\n0.737336 0.941195 0.086359 O\n0.564378 0.762960 0.415591 O\n0.808678 0.619045 0.000506 O\n0.415591 0.564378 0.762960 O\n0.908511 0.265463 0.056582 O\n0.619045 0.000506 0.808678 O\n0.387457 0.990513 0.194096 O\n0.086359 0.737336 0.941195 O\n0.583414 0.444243 0.235758 O\n0.194096 0.387457 0.990513 O\n0.444243 0.235758 0.583414 O\n0.265463 0.056582 0.908511 O\n0.235758 0.583414 0.444243 O\n0.000506 0.808678 0.619045 O\n0.056582 0.908511 0.265463 O\n0.882512 0.686467 0.503721 O\n0.686467 0.503721 0.882512 O\n0.503721 0.882512 0.686467 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ti",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Mn-O-P-Ti-V",
"density": 3.1441360051002865,
"density_atomic": 0.07796877210764987,
"volume": 461.7233159744461,
"volume_molar": 7.723785558255754,
"formula_full": "Ti3 Mn2 V1 P6 O24",
"formula_reduced": "Ti3Mn2V(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -305.44890304,
"energy_per_atom": -8.48469175111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -283.92490304,
"band_gap": 0.0171000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.9999204,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.421000Z",
"spacegroup": 146
},
{
"id": "mp-1224575",
"created_at": "2022-09-04T14:44:17.347061Z",
"structure_string": "Gd1 Dy1 C4\n1.0\n-1.853373 -1.853373 -3.122687\n1.853373 1.853373 -3.122687\n3.710363 -3.710363 0.000000\nGd Dy C\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Dy\n0.395961 0.395961 0.000000 C\n0.895786 0.895786 0.500000 C\n0.104214 0.104214 0.500000 C\n0.604039 0.604039 0.000000 C\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Gd",
"Dy",
"C"
],
"chemical_system": "C-Dy-Gd",
"density": 7.110246244030069,
"density_atomic": 0.06985276014311484,
"volume": 85.8949594505236,
"volume_molar": 8.621192273092422,
"formula_full": "Gd1 Dy1 C4",
"formula_reduced": "GdDyC4",
"formula_anonymous": "ABC4",
"energy": -56.68530586,
"energy_per_atom": -9.447550976666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.68530586,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.8187382,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.823000Z",
"spacegroup": 65
},
{
"id": "mp-1096511",
"created_at": "2022-09-04T14:44:17.354636Z",
"structure_string": "Ta2 Fe1 Tc1\n1.0\n-4.379285 5.590798 7.830762\n4.379285 -5.590798 7.830762\n4.379285 5.590798 -7.830762\nTa Fe Tc\n2 1 1\ndirect\n0.000000 0.246367 0.246367 Ta\n0.000000 0.753633 0.753633 Ta\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"Tc"
],
"chemical_system": "Fe-Ta-Tc",
"density": 1.1167077408631836,
"density_atomic": 0.005215776395554776,
"volume": 766.9040420155013,
"volume_molar": 115.46010226075758,
"formula_full": "Ta2 Fe1 Tc1",
"formula_reduced": "Ta2FeTc",
"formula_anonymous": "ABC2",
"energy": -25.82607958,
"energy_per_atom": -6.456519895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.82607958,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8054715,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.962000Z",
"spacegroup": 71
},
{
"id": "mp-28628",
"created_at": "2022-09-04T14:44:16.430092Z",
"structure_string": "Li6 Fe2 N4\n1.0\n-2.332541 2.400950 4.757399\n2.332541 -2.400950 4.757399\n2.332541 2.400950 -4.757399\nLi Fe N\n6 2 4\ndirect\n0.500000 0.250000 0.750000 Li\n0.500000 0.750000 0.250000 Li\n0.742551 0.992551 0.250000 Li\n0.257449 0.507449 0.250000 Li\n0.742551 0.492551 0.750000 Li\n0.257449 0.007449 0.750000 Li\n0.000000 0.250000 0.250000 Fe\n0.000000 0.750000 0.750000 Fe\n0.666264 0.886243 0.780021 N\n0.893779 0.613757 0.280022 N\n0.333736 0.113757 0.219978 N\n0.106221 0.386243 0.719978 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Fe",
"N"
],
"chemical_system": "Fe-Li-N",
"density": 3.2621704161968785,
"density_atomic": 0.1126002294747741,
"volume": 106.57171886748567,
"volume_molar": 5.3482491004595545,
"formula_full": "Li6 Fe2 N4",
"formula_reduced": "Li3FeN2",
"formula_anonymous": "AB2C3",
"energy": -67.91461238000001,
"energy_per_atom": -5.659551031666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.47061238,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9138832,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:27.197000Z",
"spacegroup": 72
},
{
"id": "mp-818591",
"created_at": "2022-09-04T14:44:15.983064Z",
"structure_string": "Mn2 V4 Pb4 O16\n1.0\n-0.000197 6.637602 -0.000101\n7.480171 -0.000224 -0.364373\n-3.902745 0.000201 -8.253932\nMn V Pb O\n2 4 4 16\ndirect\n0.499927 0.000256 0.999836 Mn\n0.999450 0.999451 0.000054 Mn\n0.250024 0.554494 0.847986 V\n0.749936 0.445640 0.152026 V\n0.249948 0.954510 0.665646 V\n0.749944 0.045479 0.334393 V\n0.250050 0.735300 0.261150 Pb\n0.749960 0.264384 0.738731 Pb\n0.250370 0.351911 0.476438 Pb\n0.750372 0.648062 0.523577 Pb\n0.249769 0.711703 0.540779 O\n0.749849 0.288359 0.459255 O\n0.250054 0.070039 0.534743 O\n0.749986 0.930073 0.465355 O\n0.250116 0.455952 0.986488 O\n0.749958 0.544156 0.013511 O\n0.249873 0.813044 0.953077 O\n0.749848 0.187104 0.046922 O\n0.472617 0.012294 0.780785 O\n0.527689 0.987659 0.218916 O\n0.972518 0.987685 0.219178 O\n0.027607 0.012357 0.781084 O\n0.457311 0.476103 0.717546 O\n0.542737 0.524082 0.282560 O\n0.957253 0.523977 0.282433 O\n0.042835 0.475925 0.717530 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Mn",
"V",
"Pb",
"O"
],
"chemical_system": "Mn-O-Pb-V",
"density": 5.538823004196642,
"density_atomic": 0.06201549754294223,
"volume": 419.2500428138381,
"volume_molar": 9.710702967157536,
"formula_full": "Mn2 V4 Pb4 O16",
"formula_reduced": "MnV2(PbO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -203.06322207,
"energy_per_atom": -7.810123925769231,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.93522207,
"band_gap": 1.646,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 10.0001671,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.743000Z",
"spacegroup": 11
},
{
"id": "mp-601400",
"created_at": "2022-09-04T14:44:17.932909Z",
"structure_string": "Gd2 Co18 Si8\n1.0\n-3.891167 3.891167 5.968176\n3.891167 -3.891167 5.968176\n3.891167 3.891167 -5.968176\nGd Co Si\n2 18 8\ndirect\n0.750000 0.750000 0.000000 Gd\n0.250000 0.250000 0.000000 Gd\n0.227354 0.522088 0.749442 Co\n0.522088 0.772646 0.294734 Co\n0.437907 0.701894 0.500000 Co\n0.477912 0.227354 0.705266 Co\n0.798106 0.062093 0.500000 Co\n0.298106 0.798106 0.736013 Co\n0.772646 0.477912 0.250558 Co\n0.727354 0.977912 0.705266 Co\n0.062093 0.562093 0.263987 Co\n0.562093 0.298106 0.500000 Co\n0.701894 0.201894 0.263987 Co\n0.937907 0.437907 0.736013 Co\n0.201894 0.937907 0.500000 Co\n0.977912 0.272646 0.250558 Co\n0.022088 0.727354 0.749442 Co\n0.272646 0.022088 0.294734 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.684082 0.545005 0.500000 Si\n0.315918 0.454995 0.500000 Si\n0.184082 0.684082 0.139077 Si\n0.545005 0.045005 0.860923 Si\n0.815918 0.315918 0.860923 Si\n0.045005 0.184082 0.500000 Si\n0.454995 0.954995 0.139077 Si\n0.954995 0.815918 0.500000 Si\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Gd",
"Co",
"Si"
],
"chemical_system": "Co-Gd-Si",
"density": 7.350260104729084,
"density_atomic": 0.07746342191669797,
"volume": 361.46092319689194,
"volume_molar": 7.774173424040116,
"formula_full": "Gd2 Co18 Si8",
"formula_reduced": "GdCo9Si4",
"formula_anonymous": "AB4C9",
"energy": -204.79701825,
"energy_per_atom": -7.314179223214286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -205.36501825,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.6395295,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.914000Z",
"spacegroup": 140
},
{
"id": "mp-755658",
"created_at": "2022-09-04T14:44:14.323150Z",
"structure_string": "Ce2 Pr2 O4\n1.0\n-2.524078 2.524078 5.040850\n2.524078 -2.524078 5.040850\n2.524078 2.524078 -5.040850\nCe Pr O\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Ce\n0.250000 0.750000 0.500000 Ce\n0.000000 0.000000 0.000000 Pr\n0.750000 0.250000 0.500000 Pr\n0.252161 0.252161 0.000000 O\n0.497839 0.997839 0.500000 O\n0.747839 0.747839 0.000000 O\n0.002161 0.502161 0.500000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Pr",
"O"
],
"chemical_system": "Ce-O-Pr",
"density": 8.092547751403938,
"density_atomic": 0.06227599545376709,
"volume": 128.4604114588437,
"volume_molar": 9.670083498658423,
"formula_full": "Ce2 Pr2 O4",
"formula_reduced": "CePrO2",
"formula_anonymous": "ABC2",
"energy": -66.27506322,
"energy_per_atom": -8.2843829025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.52706322,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8164266,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.716000Z",
"spacegroup": 141
},
{
"id": "mp-1216972",
"created_at": "2022-09-04T14:44:19.410721Z",
"structure_string": "Ti2 Cr2 Cu2 S8\n1.0\n-3.484042 3.559384 4.967008\n3.484042 -3.559384 4.967008\n3.484042 3.559384 -4.967008\nTi Cr Cu S\n2 2 2 8\ndirect\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.624467 0.874467 0.750000 Cu\n0.375533 0.125533 0.250000 Cu\n0.232705 0.742910 0.489795 S\n0.753115 0.742910 0.010205 S\n0.755569 0.738604 0.483035 S\n0.755569 0.272533 0.016965 S\n0.767295 0.257090 0.510205 S\n0.246885 0.257090 0.989795 S\n0.244431 0.261396 0.516965 S\n0.244431 0.727467 0.983035 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ti",
"Cr",
"Cu",
"S"
],
"chemical_system": "Cr-Cu-S-Ti",
"density": 3.9314833269588547,
"density_atomic": 0.056821796340801485,
"volume": 246.3843261137303,
"volume_molar": 10.598293520818768,
"formula_full": "Ti2 Cr2 Cu2 S8",
"formula_reduced": "TiCrCuS4",
"formula_anonymous": "ABCD4",
"energy": -93.00394058,
"energy_per_atom": -6.643138612857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.97994058,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.997259,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.867000Z",
"spacegroup": 74
}
]
}