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=formation_energy_per_atom&page=93",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=91",
"results": [
{
"id": "mp-768941",
"created_at": "2022-09-04T14:42:41.562800Z",
"structure_string": "Sr6 Te2 O12\n1.0\n6.132008 0.000000 0.000000\n0.000000 5.911976 0.000000\n0.000000 5.915817 8.479189\nSr Te O\n6 2 12\ndirect\n0.500000 0.500000 0.500000 Sr\n0.951912 0.732156 0.253968 Sr\n0.451912 0.267844 0.246032 Sr\n0.000000 0.500000 0.000000 Sr\n0.548088 0.732156 0.753968 Sr\n0.048088 0.267844 0.746032 Sr\n0.500000 0.000000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.451599 0.117412 0.782123 O\n0.237820 0.766082 0.064632 O\n0.177045 0.311227 0.457239 O\n0.677045 0.688773 0.042761 O\n0.737820 0.233918 0.435368 O\n0.951599 0.882588 0.717877 O\n0.048401 0.117412 0.282123 O\n0.262180 0.766082 0.564632 O\n0.322955 0.311227 0.957239 O\n0.822955 0.688773 0.542761 O\n0.762180 0.233918 0.935368 O\n0.548401 0.882588 0.217877 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Te",
"O"
],
"chemical_system": "O-Sr-Te",
"density": 5.255733357515854,
"density_atomic": 0.06506393191029186,
"volume": 307.3899688013842,
"volume_molar": 9.255728301669722,
"formula_full": "Sr6 Te2 O12",
"formula_reduced": "Sr3TeO6",
"formula_anonymous": "AB3C6",
"energy": -130.78835164999998,
"energy_per_atom": -6.539417582499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.54435165,
"band_gap": 3.0317,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029262,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.416000Z",
"spacegroup": 14
},
{
"id": "mp-1385941",
"created_at": "2022-09-04T14:42:41.744654Z",
"structure_string": "Bi4 O10\n1.0\n3.990707 0.000000 0.000000\n0.000000 6.277783 0.000000\n0.000000 0.000000 10.394743\nBi O\n4 10\ndirect\n0.500000 0.736254 0.358745 Bi\n0.500000 0.263746 0.641255 Bi\n0.500000 0.236254 0.141255 Bi\n0.500000 0.763746 0.858745 Bi\n0.000000 0.798294 0.413834 O\n0.000000 0.201706 0.586166 O\n0.000000 0.298294 0.086166 O\n0.000000 0.701706 0.913834 O\n0.500000 0.072200 0.314920 O\n0.500000 0.927800 0.685080 O\n0.500000 0.572200 0.185080 O\n0.500000 0.427800 0.814920 O\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 6.35040953905821,
"density_atomic": 0.05375986097366055,
"volume": 260.4173401203409,
"volume_molar": 11.201927703924916,
"formula_full": "Bi4 O10",
"formula_reduced": "Bi2O5",
"formula_anonymous": "A2B5",
"energy": -77.97743673000001,
"energy_per_atom": -5.569816909285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.10743673,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9118489,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.199000Z",
"spacegroup": 55
},
{
"id": "mp-1037750",
"created_at": "2022-09-04T14:42:41.757580Z",
"structure_string": "Y1 Mg30 Co1 O32\n1.0\n8.587020 0.000000 0.000000\n0.000000 8.587020 0.000000\n0.000000 0.000000 8.580709\nY Mg Co O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.259871 0.259871 0.000000 Mg\n0.740129 0.259871 0.000000 Mg\n0.259871 0.740129 0.000000 Mg\n0.740129 0.740129 0.000000 Mg\n0.251873 0.251873 0.500000 Mg\n0.748127 0.251873 0.500000 Mg\n0.251873 0.748127 0.500000 Mg\n0.748127 0.748127 0.500000 Mg\n0.257793 0.000000 0.255728 Mg\n0.742207 0.000000 0.255728 Mg\n0.253755 0.500000 0.248055 Mg\n0.746245 0.500000 0.248055 Mg\n0.257793 0.000000 0.744272 Mg\n0.742207 0.000000 0.744272 Mg\n0.253755 0.500000 0.751945 Mg\n0.746245 0.500000 0.751945 Mg\n0.000000 0.257793 0.255728 Mg\n0.500000 0.253755 0.248055 Mg\n0.000000 0.742207 0.255728 Mg\n0.500000 0.746245 0.248055 Mg\n0.000000 0.257793 0.744272 Mg\n0.500000 0.253755 0.751945 Mg\n0.000000 0.742207 0.744272 Mg\n0.500000 0.746245 0.751945 Mg\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.259616 O\n0.500000 0.000000 0.253568 O\n0.000000 0.500000 0.253568 O\n0.500000 0.500000 0.262504 O\n0.000000 0.000000 0.740384 O\n0.500000 0.000000 0.746432 O\n0.000000 0.500000 0.746432 O\n0.500000 0.500000 0.737496 O\n0.249518 0.249518 0.249241 O\n0.750482 0.249518 0.249241 O\n0.249518 0.750482 0.249241 O\n0.750482 0.750482 0.249241 O\n0.249518 0.249518 0.750759 O\n0.750482 0.249518 0.750759 O\n0.249518 0.750482 0.750759 O\n0.750482 0.750482 0.750759 O\n0.258256 0.000000 0.000000 O\n0.741744 0.000000 0.000000 O\n0.238715 0.500000 0.000000 O\n0.761285 0.500000 0.000000 O\n0.250830 0.000000 0.500000 O\n0.749170 0.000000 0.500000 O\n0.248061 0.500000 0.500000 O\n0.751939 0.500000 0.500000 O\n0.000000 0.258256 0.000000 O\n0.500000 0.238715 0.000000 O\n0.000000 0.741744 0.000000 O\n0.500000 0.761285 0.000000 O\n0.000000 0.250830 0.500000 O\n0.500000 0.248061 0.500000 O\n0.000000 0.749170 0.500000 O\n0.500000 0.751939 0.500000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Y",
"Mg",
"Co",
"O"
],
"chemical_system": "Co-Mg-O-Y",
"density": 3.6453043339899396,
"density_atomic": 0.10115138910552482,
"volume": 632.7149885527807,
"volume_molar": 5.9535917531666165,
"formula_full": "Y1 Mg30 Co1 O32",
"formula_reduced": "YMg30CoO32",
"formula_anonymous": "ABC30D32",
"energy": -411.22324441,
"energy_per_atom": -6.42536319390625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -387.60124441,
"band_gap": 1.0697,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0091269,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.583000Z",
"spacegroup": 123
},
{
"id": "mp-1522238",
"created_at": "2022-09-04T14:42:41.402120Z",
"structure_string": "Na2 Pr2 Eu2 Ni2 O12\n1.0\n5.238558 0.000000 0.000000\n0.000000 5.238558 0.000000\n0.000000 0.000000 9.594490\nNa Pr Eu Ni O\n2 2 2 2 12\ndirect\n0.000000 -0.000000 -0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.500000 0.000000 0.250000 Pr\n0.000000 0.500000 0.750000 Pr\n0.000000 0.500000 0.250000 Eu\n0.500000 -0.000000 0.750000 Eu\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 -0.000000 Ni\n-0.000000 -0.000000 0.263954 O\n0.500000 0.500000 0.236046 O\n-0.000000 -0.000000 0.736046 O\n0.500000 0.500000 0.763954 O\n0.410392 0.119482 0.001613 O\n0.589608 0.880518 0.001613 O\n0.880518 0.410392 0.998387 O\n0.119482 0.589608 0.998387 O\n0.910392 0.380518 0.501613 O\n0.089608 0.619482 0.501613 O\n0.380518 0.089608 0.498387 O\n0.619482 0.910392 0.498387 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Na",
"Pr",
"Eu",
"Ni",
"O"
],
"chemical_system": "Eu-Na-Ni-O-Pr",
"density": 5.935271478700722,
"density_atomic": 0.07595993558489186,
"volume": 263.29669510643873,
"volume_molar": 7.928048797868887,
"formula_full": "Na2 Pr2 Eu2 Ni2 O12",
"formula_reduced": "NaPrEuNiO6",
"formula_anonymous": "ABCDE6",
"energy": -142.83531498,
"energy_per_atom": -7.141765748999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.17331498,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.6014945,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.991000Z",
"spacegroup": 118
},
{
"id": "mp-675011",
"created_at": "2022-09-04T14:42:41.536878Z",
"structure_string": "Cs1 P1 F6\n1.0\n5.093880 -2.941916 0.000000\n5.093880 2.941916 0.000000\n3.394807 0.000000 4.803932\nCs P F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 P\n0.670728 0.065995 0.065995 F\n0.065995 0.670728 0.065995 F\n0.065995 0.065995 0.670728 F\n0.934005 0.934005 0.329272 F\n0.934005 0.329272 0.934005 F\n0.329272 0.934005 0.934005 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cs",
"P",
"F"
],
"chemical_system": "Cs-F-P",
"density": 3.204677713349381,
"density_atomic": 0.055562804964582456,
"volume": 143.98121198343858,
"volume_molar": 10.838439066995825,
"formula_full": "Cs1 P1 F6",
"formula_reduced": "CsPF6",
"formula_anonymous": "ABC6",
"energy": -42.69904352,
"energy_per_atom": -5.33738044,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.92704352,
"band_gap": 7.1409,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006412,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.425000Z",
"spacegroup": 166
},
{
"id": "mp-1216280",
"created_at": "2022-09-04T14:42:41.552819Z",
"structure_string": "U2 Cr2 Co2\n1.0\n-2.238436 2.542951 3.800500\n2.238436 -2.542951 3.800500\n2.238436 2.542951 -3.800500\nU Cr Co\n2 2 2\ndirect\n0.393378 0.143378 0.250000 U\n0.606622 0.856622 0.750000 U\n0.000000 0.500000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Cr",
"Co"
],
"chemical_system": "Co-Cr-U",
"density": 13.392729755731954,
"density_atomic": 0.06933744725463341,
"volume": 86.53332704859648,
"volume_molar": 8.68526459862939,
"formula_full": "U2 Cr2 Co2",
"formula_reduced": "UCrCo",
"formula_anonymous": "ABC",
"energy": -56.31785725,
"energy_per_atom": -9.386309541666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.31785725,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005018,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.422000Z",
"spacegroup": 74
},
{
"id": "mp-1516638",
"created_at": "2022-09-04T14:42:41.634502Z",
"structure_string": "Nd1 Sm1 Cr4 O12\n1.0\n0.000000 3.774149 3.798608\n0.000000 -3.774149 3.798608\n7.481041 0.000000 0.000000\nNd Sm Cr O\n1 1 4 12\ndirect\n0.520508 0.520508 -0.000000 Nd\n0.987838 0.987838 0.500000 Sm\n0.506440 0.011570 0.748821 Cr\n0.506440 0.011570 0.251179 Cr\n0.011570 0.506440 0.251179 Cr\n0.011570 0.506440 0.748821 Cr\n0.779639 0.212411 0.744851 O\n0.212411 0.779639 0.744851 O\n0.212411 0.779639 0.255149 O\n0.779639 0.212411 0.255149 O\n0.720248 0.720248 0.708208 O\n0.286184 0.286184 0.791120 O\n0.286184 0.286184 0.208880 O\n0.720248 0.720248 0.291792 O\n0.524830 0.954059 -0.000000 O\n0.438624 0.039156 0.500000 O\n0.954059 0.524830 -0.000000 O\n0.039156 0.438624 0.500000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Nd",
"Sm",
"Cr",
"O"
],
"chemical_system": "Cr-Nd-O-Sm",
"density": 5.376941609682083,
"density_atomic": 0.0839144889990858,
"volume": 214.50407688469747,
"volume_molar": 7.176520803297281,
"formula_full": "Nd1 Sm1 Cr4 O12",
"formula_reduced": "NdSmCr4O12",
"formula_anonymous": "ABC4D12",
"energy": -148.18884363,
"energy_per_atom": -8.232713535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.94884363,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.262000Z",
"spacegroup": 38
},
{
"id": "mp-129",
"created_at": "2022-09-04T14:42:41.637494Z",
"structure_string": "Mo1\n1.0\n-1.583809 1.583809 1.583809\n1.583809 -1.583809 1.583809\n1.583809 1.583809 -1.583809\nMo\n1\ndirect\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mo"
],
"chemical_system": "Mo",
"density": 10.02490811516209,
"density_atomic": 0.06292621200378933,
"volume": 15.891628753050979,
"volume_molar": 9.570162525653629,
"formula_full": "Mo1",
"formula_reduced": "Mo",
"formula_anonymous": "A",
"energy": -10.84564303,
"energy_per_atom": -10.84564303,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.84564303,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001574,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.099000Z",
"spacegroup": 229
},
{
"id": "mp-770837",
"created_at": "2022-09-04T14:42:41.639067Z",
"structure_string": "Na10 Fe4 P4 C4 O28\n1.0\n-8.964586 5.256063 0.099406\n-0.068460 -5.206455 6.655766\n-0.043586 5.266095 6.701563\nNa Fe P C O\n10 4 4 4 28\ndirect\n0.913464 0.692752 0.564442 Na\n0.924001 0.229973 0.045809 Na\n0.736822 0.994632 0.500331 Na\n0.740660 0.740085 0.258333 Na\n0.732394 0.252888 0.762490 Na\n0.267606 0.747112 0.237510 Na\n0.259339 0.259915 0.741667 Na\n0.263178 0.005368 0.499669 Na\n0.086536 0.307248 0.435558 Na\n0.075999 0.770027 0.954191 Na\n0.652074 0.311078 0.431554 Fe\n0.646367 0.797362 0.945553 Fe\n0.353633 0.202638 0.054447 Fe\n0.347926 0.688922 0.568446 Fe\n0.584337 0.564454 0.688888 P\n0.577355 0.055490 0.186102 P\n0.415663 0.435546 0.311112 P\n0.422645 0.944510 0.813898 P\n0.939689 0.481149 0.276874 C\n0.933513 0.979984 0.772611 C\n0.066487 0.020016 0.227389 C\n0.060311 0.518851 0.723126 C\n0.924353 0.937094 0.311288 O\n0.918840 0.433722 0.794896 O\n0.875227 0.326148 0.410520 O\n0.869808 0.838984 0.919068 O\n0.855282 0.541270 0.218549 O\n0.843406 0.029249 0.715651 O\n0.673473 0.975959 0.072638 O\n0.674604 0.679667 0.767345 O\n0.686603 0.487819 0.586037 O\n0.677175 0.158887 0.259960 O\n0.565937 0.586664 0.164232 O\n0.570795 0.091916 0.663979 O\n0.538657 0.181588 0.058074 O\n0.552183 0.690076 0.556040 O\n0.461343 0.818412 0.941926 O\n0.447817 0.309924 0.443960 O\n0.429205 0.908084 0.336021 O\n0.434063 0.413336 0.835768 O\n0.322825 0.841113 0.740040 O\n0.313397 0.512181 0.413963 O\n0.325396 0.320333 0.232655 O\n0.326527 0.024041 0.927362 O\n0.156594 0.970751 0.284349 O\n0.144718 0.458730 0.781451 O\n0.130192 0.161016 0.080932 O\n0.124773 0.673852 0.589480 O\n0.081159 0.566278 0.205104 O\n0.075647 0.062906 0.688712 O\n",
"nsites": 50,
"nelements": 5,
"elements": [
"Na",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Na-O-P",
"density": 2.8385209491531387,
"density_atomic": 0.07964029429988834,
"volume": 627.8228934177872,
"volume_molar": 7.561675673024784,
"formula_full": "Na10 Fe4 P4 C4 O28",
"formula_reduced": "Na5Fe2P2(CO7)2",
"formula_anonymous": "A2B2C2D5E14",
"energy": -357.15852978,
"energy_per_atom": -7.1431705956,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -328.89852978,
"band_gap": 1.6004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.9999003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.940000Z",
"spacegroup": 2
},
{
"id": "mp-17545",
"created_at": "2022-09-04T14:42:41.660426Z",
"structure_string": "V4 Zn6 O16\n1.0\n3.090056 -5.879733 0.000000\n3.090056 5.879733 0.000000\n0.000000 0.000000 8.381382\nV Zn O\n4 6 16\ndirect\n0.121751 0.878249 0.620084 V\n0.878249 0.121751 0.379916 V\n0.378249 0.621751 0.120084 V\n0.621751 0.378249 0.879916 V\n0.113205 0.386795 0.750000 Zn\n0.386795 0.113205 0.250000 Zn\n0.886795 0.613205 0.250000 Zn\n0.613205 0.886795 0.750000 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.654570 0.889758 0.499675 O\n0.889758 0.654570 0.500325 O\n0.845430 0.610242 0.999675 O\n0.610242 0.845430 0.000325 O\n0.345430 0.110242 0.500325 O\n0.110242 0.345430 0.499675 O\n0.154570 0.389758 0.000325 O\n0.389758 0.154570 0.999675 O\n0.500427 0.499573 0.744175 O\n0.499573 0.500427 0.255825 O\n0.750377 0.249623 0.773628 O\n0.249623 0.750377 0.226372 O\n0.749623 0.250377 0.273628 O\n0.250377 0.749623 0.726372 O\n0.000427 0.999573 0.755825 O\n0.999573 0.000427 0.244175 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"V",
"Zn",
"O"
],
"chemical_system": "O-V-Zn",
"density": 4.646504278910031,
"density_atomic": 0.08536970134363765,
"volume": 304.55770127791016,
"volume_molar": 7.054189794760027,
"formula_full": "V4 Zn6 O16",
"formula_reduced": "V2Zn3O8",
"formula_anonymous": "A2B3C8",
"energy": -177.18135699,
"energy_per_atom": -6.814667576538462,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -159.38935699,
"band_gap": 2.7049,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001032,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.623000Z",
"spacegroup": 64
},
{
"id": "mp-762820",
"created_at": "2022-09-04T14:42:41.664310Z",
"structure_string": "Li2 V4 Si4 O16\n1.0\n-3.017414 4.525790 -0.023970\n-0.009841 0.029646 6.292683\n6.748651 4.500212 0.010594\nLi V Si O\n2 4 4 16\ndirect\n0.003617 0.463600 0.326176 Li\n0.503618 0.463594 0.826165 Li\n0.499433 0.213360 0.498757 V\n0.999324 0.728404 0.996149 V\n0.999428 0.213349 0.998757 V\n0.499327 0.728416 0.496158 V\n0.999118 0.963838 0.350300 Si\n0.499116 0.963837 0.850301 Si\n0.999343 0.465231 0.653004 Si\n0.499342 0.465234 0.153008 Si\n0.999166 0.752177 0.230030 O\n0.499166 0.752188 0.730014 O\n0.998561 0.179906 0.241582 O\n0.498561 0.179907 0.741595 O\n0.998841 0.670960 0.777532 O\n0.498841 0.670922 0.277571 O\n0.998011 0.254617 0.763895 O\n0.498011 0.254614 0.263890 O\n0.250147 0.957018 0.468574 O\n0.750135 0.956984 0.968579 O\n0.748019 0.957004 0.468576 O\n0.248029 0.956970 0.968580 O\n0.243996 0.475945 0.529050 O\n0.744000 0.475973 0.029052 O\n0.754944 0.476186 0.528726 O\n0.254941 0.476213 0.028728 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 3.5045553465439587,
"density_atomic": 0.09364273373993132,
"volume": 277.65101424963024,
"volume_molar": 6.430974961415536,
"formula_full": "Li2 V4 Si4 O16",
"formula_reduced": "LiV2(SiO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -213.63245466,
"energy_per_atom": -8.216632871538462,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -195.84045466,
"band_gap": 0.8675999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.09e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.466000Z",
"spacegroup": 8
},
{
"id": "mp-1225786",
"created_at": "2022-09-04T14:42:41.771370Z",
"structure_string": "Cu2 Sn1 Se3\n1.0\n-2.057903 2.876406 6.135729\n2.057903 -2.876406 6.135729\n2.057903 2.876406 -6.135729\nCu Sn Se\n2 1 3\ndirect\n0.837652 0.830385 0.007267 Cu\n0.176881 0.169615 0.007267 Cu\n0.482214 0.500000 0.982214 Sn\n0.056756 0.322198 0.734558 Se\n0.412360 0.677802 0.734558 Se\n0.784134 0.000000 0.784134 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cu",
"Sn",
"Se"
],
"chemical_system": "Cu-Se-Sn",
"density": 5.517075837369326,
"density_atomic": 0.04129999538542725,
"volume": 145.2784665955945,
"volume_molar": 14.581456253927135,
"formula_full": "Cu2 Sn1 Se3",
"formula_reduced": "Cu2SnSe3",
"formula_anonymous": "AB2C3",
"energy": -25.78292826,
"energy_per_atom": -4.29715471,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.36692826,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018127,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.324000Z",
"spacegroup": 44
}
]
}