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=12127",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=12125",
"results": [
{
"id": "mp-778865",
"created_at": "2022-09-04T14:47:40.614348Z",
"structure_string": "V8 O6 F18\n1.0\n5.252787 0.000000 0.000000\n-2.594192 -4.720727 0.000000\n-2.418377 1.078862 -17.264587\nV O F\n8 6 18\ndirect\n0.743623 0.366662 0.125275 V\n0.753034 0.905131 0.629881 V\n0.506701 0.716258 0.248774 V\n0.516821 0.258311 0.750494 V\n0.249449 0.135946 0.370719 V\n0.215799 0.613044 0.872584 V\n0.976080 0.011713 0.002092 V\n0.984207 0.485233 0.505138 V\n0.816183 0.212326 0.560875 O\n0.838781 0.196674 0.042447 O\n0.293928 0.407733 0.314102 O\n0.862255 0.428896 0.832609 O\n0.652056 0.541299 0.207250 O\n0.671561 0.047165 0.702584 O\n0.314139 0.137223 0.083657 F\n0.766771 0.669232 0.058032 F\n0.718849 0.067125 0.193335 F\n0.323122 0.927015 0.292976 F\n0.338045 0.682095 0.582559 F\n0.351742 0.480684 0.789651 F\n0.173432 0.596963 0.166478 F\n0.173397 0.090808 0.664016 F\n0.184000 0.301166 0.460371 F\n0.725310 0.573120 0.684740 F\n0.822783 0.903118 0.338249 F\n0.829054 0.721760 0.540734 F\n0.158785 0.791791 0.960619 F\n0.672387 0.322303 0.414566 F\n0.290954 0.953006 0.815643 F\n0.218321 0.310763 0.937298 F\n0.200411 0.812331 0.438306 F\n0.658022 0.833111 0.913947 F\n",
"nsites": 32,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.2795002125354515,
"density_atomic": 0.07474723087259007,
"volume": 428.10950487979153,
"volume_molar": 8.056674059625035,
"formula_full": "V8 O6 F18",
"formula_reduced": "V4(OF3)3",
"formula_anonymous": "A3B4C9",
"energy": -231.31460055,
"energy_per_atom": -7.2285812671875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -205.27660055,
"band_gap": 1.278,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.631000Z",
"spacegroup": 1
},
{
"id": "mp-19870",
"created_at": "2022-09-04T14:47:40.621702Z",
"structure_string": "Ga1 Fe3\n1.0\n3.660504 0.000000 0.000000\n0.000000 3.660504 0.000000\n0.000000 0.000000 3.660504\nGa Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga",
"density": 8.032436580722118,
"density_atomic": 0.08155251035007999,
"volume": 49.0481529364237,
"volume_molar": 7.384372025028772,
"formula_full": "Ga1 Fe3",
"formula_reduced": "GaFe3",
"formula_anonymous": "AB3",
"energy": -28.97943014,
"energy_per_atom": -7.244857535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.97943014,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9763071,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:12.298000Z",
"spacegroup": 221
},
{
"id": "mp-1045694",
"created_at": "2022-09-04T14:47:28.829120Z",
"structure_string": "Cu9 O13\n1.0\n1.472713 4.919179 0.000000\n-1.472713 4.919179 0.000000\n0.000000 2.534571 16.021108\nCu O\n9 13\ndirect\n0.500000 0.500000 0.500000 Cu\n0.352528 0.352528 0.041877 Cu\n0.647472 0.647472 0.958123 Cu\n0.251173 0.251173 0.417527 Cu\n0.748827 0.748827 0.582473 Cu\n0.060638 0.060638 0.123928 Cu\n0.939362 0.939362 0.876072 Cu\n0.006079 0.006079 0.329857 Cu\n0.993921 0.993921 0.670143 Cu\n0.000000 0.000000 0.000000 O\n0.116550 0.116550 0.226119 O\n0.883450 0.883450 0.773881 O\n0.698630 0.698630 0.068042 O\n0.301370 0.301370 0.931958 O\n0.431717 0.431717 0.138020 O\n0.568283 0.568283 0.861980 O\n0.382955 0.382955 0.323339 O\n0.617045 0.617045 0.676661 O\n0.607403 0.607403 0.388661 O\n0.392597 0.392597 0.611339 O\n0.865387 0.865387 0.473914 O\n0.134613 0.134613 0.526086 O\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Cu",
"O"
],
"chemical_system": "Cu-O",
"density": 5.579023363206291,
"density_atomic": 0.09477403926006558,
"volume": 232.13107905668866,
"volume_molar": 6.354209240227578,
"formula_full": "Cu9 O13",
"formula_reduced": "Cu9O13",
"formula_anonymous": "A9B13",
"energy": -115.88122099,
"energy_per_atom": -5.267328226818182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.95022099000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.2930109,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.097000Z",
"spacegroup": 12
},
{
"id": "mp-1102280",
"created_at": "2022-09-04T14:47:34.284517Z",
"structure_string": "Tl1 S2 O9\n1.0\n-2.537109 -4.394401 0.000000\n2.537109 -4.394401 0.000000\n0.000000 -2.929601 8.643849\nTl S O\n1 2 9\ndirect\n0.500000 0.500000 0.500000 Tl\n0.240444 0.240444 0.278668 S\n0.759556 0.759556 0.721332 S\n0.000000 0.000000 0.000000 O\n0.296729 0.296729 0.109814 O\n0.703271 0.703271 0.890186 O\n0.489632 0.237499 0.338446 O\n0.934423 0.489632 0.338446 O\n0.237499 0.934423 0.338446 O\n0.065577 0.762501 0.661554 O\n0.762501 0.510368 0.661554 O\n0.510368 0.065577 0.661554 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tl",
"S",
"O"
],
"chemical_system": "O-S-Tl",
"density": 3.553901524362571,
"density_atomic": 0.06225944831879171,
"volume": 192.7418299396985,
"volume_molar": 9.672653585307057,
"formula_full": "Tl1 S2 O9",
"formula_reduced": "TlS2O9",
"formula_anonymous": "AB2C9",
"energy": -69.20905769000001,
"energy_per_atom": -5.767421474166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.02605769,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9995155,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.932000Z",
"spacegroup": 155
},
{
"id": "mp-1203002",
"created_at": "2022-09-04T14:47:28.839165Z",
"structure_string": "Ba4 Tm4 Co16 O28\n1.0\n6.370525 0.000000 0.000000\n0.000000 10.248448 0.000000\n0.000000 0.000000 11.043593\nBa Tm Co O\n4 4 16 28\ndirect\n0.501122 0.500092 0.164907 Ba\n0.498878 0.000092 0.835093 Ba\n0.001122 0.000092 0.335093 Ba\n0.998878 0.500092 0.664907 Ba\n0.510506 0.870140 0.169114 Tm\n0.489494 0.370140 0.830886 Tm\n0.010506 0.370140 0.330886 Tm\n0.989494 0.870140 0.669114 Tm\n0.492273 0.688731 0.671394 Co\n0.507727 0.188731 0.328606 Co\n0.992273 0.188731 0.828606 Co\n0.007727 0.688731 0.171394 Co\n0.755906 0.192462 0.585948 Co\n0.244094 0.692462 0.414052 Co\n0.255906 0.692462 0.914052 Co\n0.744094 0.192462 0.085948 Co\n0.754186 0.685139 0.418879 Co\n0.245814 0.185139 0.581121 Co\n0.254186 0.185139 0.081121 Co\n0.745814 0.685139 0.918879 Co\n0.497213 0.945393 0.501021 Co\n0.502787 0.445393 0.498979 Co\n0.997213 0.445393 0.998979 Co\n0.002787 0.945393 0.001021 Co\n0.501638 0.255569 0.498251 O\n0.498362 0.755569 0.501749 O\n0.001638 0.755569 0.001749 O\n0.998362 0.255569 0.998251 O\n0.443259 0.496870 0.660086 O\n0.556741 0.996870 0.339914 O\n0.943259 0.996870 0.839914 O\n0.056741 0.496870 0.160086 O\n0.727904 0.999216 0.596132 O\n0.272096 0.499216 0.403868 O\n0.227904 0.499216 0.903868 O\n0.772096 0.999216 0.096132 O\n0.766544 0.491977 0.439451 O\n0.233456 0.991977 0.560549 O\n0.266544 0.991977 0.060549 O\n0.733456 0.491977 0.939451 O\n0.499308 0.244478 0.991779 O\n0.500692 0.744478 0.008221 O\n0.999308 0.744478 0.508221 O\n0.000692 0.244478 0.491779 O\n0.266163 0.780915 0.757013 O\n0.733837 0.280915 0.242987 O\n0.766163 0.280915 0.742987 O\n0.233837 0.780915 0.257013 O\n0.236822 0.228619 0.252639 O\n0.763178 0.728619 0.747361 O\n0.736822 0.728619 0.247361 O\n0.263178 0.228619 0.752639 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Ba",
"Tm",
"Co",
"O"
],
"chemical_system": "Ba-Co-O-Tm",
"density": 6.024712650322337,
"density_atomic": 0.07212064873479375,
"volume": 721.0140356781513,
"volume_molar": 8.350092332287481,
"formula_full": "Ba4 Tm4 Co16 O28",
"formula_reduced": "BaTmCo4O7",
"formula_anonymous": "ABC4D7",
"energy": -384.27594807,
"energy_per_atom": -7.389922078269231,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -338.83194807,
"band_gap": 0.9211,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 45.9999834,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:13.308000Z",
"spacegroup": 33
},
{
"id": "mp-753390",
"created_at": "2022-09-04T14:47:40.635530Z",
"structure_string": "Li6 V2 F12\n1.0\n5.226856 0.000000 0.000000\n0.000000 5.184677 0.000000\n0.000000 5.133384 7.778049\nLi V F\n6 2 12\ndirect\n0.500000 0.500000 0.000000 Li\n0.030830 0.722117 0.763613 Li\n0.530830 0.277883 0.736387 Li\n0.000000 0.500000 0.500000 Li\n0.469170 0.722117 0.263613 Li\n0.969170 0.277883 0.236387 Li\n0.500000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.405123 0.633013 0.738450 F\n0.182470 0.926963 0.417268 F\n0.171420 0.268757 0.057464 F\n0.671420 0.731243 0.442536 F\n0.682470 0.073037 0.082732 F\n0.905123 0.366987 0.761550 F\n0.094877 0.633013 0.238450 F\n0.317530 0.926963 0.917268 F\n0.328580 0.268757 0.557464 F\n0.828580 0.731243 0.942536 F\n0.817530 0.073037 0.582732 F\n0.594877 0.366987 0.261550 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.926755890452644,
"density_atomic": 0.09488489470138298,
"volume": 210.7817062235565,
"volume_molar": 6.346785522556127,
"formula_full": "Li6 V2 F12",
"formula_reduced": "Li3VF6",
"formula_anonymous": "AB3C6",
"energy": -116.19416124,
"energy_per_atom": -5.809708062,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -107.25016124,
"band_gap": 4.069,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0003961,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.958000Z",
"spacegroup": 14
},
{
"id": "mp-758865",
"created_at": "2022-09-04T14:47:40.217180Z",
"structure_string": "Li4 Fe2 P8 O24\n1.0\n5.817968 0.020514 4.236903\n-2.940866 6.667196 0.131742\n-9.100769 -0.813174 5.752794\nLi Fe P O\n4 2 8 24\ndirect\n0.604626 0.441550 0.326038 Li\n0.104682 0.441507 0.826068 Li\n0.395440 0.558517 0.673950 Li\n0.895312 0.558472 0.173935 Li\n0.500117 0.000145 0.499969 Fe\n0.999985 0.999991 0.000051 Fe\n0.374946 0.793178 0.162628 P\n0.875161 0.793376 0.662744 P\n0.625007 0.206760 0.837378 P\n0.124817 0.206661 0.337210 P\n0.512183 0.775752 0.928139 P\n0.012238 0.775776 0.428068 P\n0.487768 0.224125 0.071889 P\n0.987856 0.224316 0.571938 P\n0.469933 0.658889 0.284010 O\n0.970123 0.659128 0.784132 O\n0.529954 0.341018 0.715987 O\n0.029852 0.340889 0.215833 O\n0.514569 0.015344 0.172314 O\n0.014709 0.015574 0.672432 O\n0.485484 0.984559 0.827712 O\n0.985285 0.984442 0.327535 O\n0.847704 0.201779 0.866338 O\n0.347503 0.201620 0.366188 O\n0.152267 0.798226 0.133695 O\n0.652493 0.798432 0.633750 O\n0.379358 0.755651 0.023882 O\n0.879902 0.755897 0.524054 O\n0.620531 0.244297 0.976115 O\n0.120112 0.244147 0.475912 O\n0.262013 0.205292 0.989766 O\n0.762026 0.205683 0.490100 O\n0.737950 0.794571 0.010313 O\n0.238039 0.794456 0.509909 O\n0.594546 0.382262 0.153573 O\n0.095013 0.382486 0.653547 O\n0.405405 0.617662 0.846449 O\n0.905092 0.617569 0.346450 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.606632329911308,
"density_atomic": 0.07734469532372108,
"volume": 491.3071263769742,
"volume_molar": 7.786107030087494,
"formula_full": "Li4 Fe2 P8 O24",
"formula_reduced": "Li2Fe(PO3)4",
"formula_anonymous": "AB2C4D12",
"energy": -284.0983316,
"energy_per_atom": -7.476271884210526,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -263.0983316,
"band_gap": 4.3505,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.777000Z",
"spacegroup": 2
},
{
"id": "mp-997488",
"created_at": "2022-09-04T14:47:28.848457Z",
"structure_string": "Ca6 Ti2 Ni2 O12\n1.0\n6.611011 3.816869 0.000000\n-6.611011 3.816869 0.000000\n0.000000 0.000000 5.397868\nCa Ti Ni O\n6 2 2 12\ndirect\n0.893262 0.106738 0.750000 Ca\n0.393262 0.250000 0.606738 Ca\n0.750000 0.606738 0.893262 Ca\n0.106738 0.893262 0.250000 Ca\n0.606738 0.750000 0.393262 Ca\n0.250000 0.393262 0.106738 Ca\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.750000 0.250000 0.250000 Ni\n0.250000 0.750000 0.750000 Ni\n0.292865 0.580029 0.458028 O\n0.707135 0.419971 0.541972 O\n0.919971 0.541972 0.207135 O\n0.041972 0.207135 0.419971 O\n0.458028 0.080029 0.292865 O\n0.580029 0.292865 0.958028 O\n0.207135 0.041972 0.919971 O\n0.419971 0.707135 0.041972 O\n0.541972 0.919971 0.707135 O\n0.958028 0.792865 0.580029 O\n0.080029 0.458028 0.792865 O\n0.792865 0.958028 0.080029 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ca",
"Ti",
"Ni",
"O"
],
"chemical_system": "Ca-Ni-O-Ti",
"density": 3.9352547444134274,
"density_atomic": 0.0807598103974951,
"volume": 272.4127247416416,
"volume_molar": 7.4568535145877295,
"formula_full": "Ca6 Ti2 Ni2 O12",
"formula_reduced": "Ca3TiNiO6",
"formula_anonymous": "ABC3D6",
"energy": -142.82986871,
"energy_per_atom": -6.492266759545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.50386871,
"band_gap": 0.1251999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9997637,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.545000Z",
"spacegroup": 15
},
{
"id": "mp-1517668",
"created_at": "2022-09-04T14:47:40.218107Z",
"structure_string": "Sr1 Cr1 Sn1 Bi1 O6\n1.0\n0.000000 -4.014900 -4.014900\n4.014900 -0.000000 -4.014900\n4.014900 -4.014900 -0.000000\nSr Cr Sn Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Sn\n0.750000 0.750000 0.750000 Bi\n0.753665 0.246335 0.246335 O\n0.246335 0.753665 0.753665 O\n0.753665 0.246335 0.753665 O\n0.246335 0.753665 0.246335 O\n0.753665 0.753665 0.246335 O\n0.246335 0.246335 0.753665 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Cr",
"Sn",
"Bi",
"O"
],
"chemical_system": "Bi-Cr-O-Sn-Sr",
"density": 7.226647825041883,
"density_atomic": 0.07725841716843569,
"volume": 129.435734855898,
"volume_molar": 7.794802146762561,
"formula_full": "Sr1 Cr1 Sn1 Bi1 O6",
"formula_reduced": "SrCrSnBiO6",
"formula_anonymous": "ABCDE6",
"energy": -70.53197918,
"energy_per_atom": -7.0531979179999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.41097918,
"band_gap": 0.9519000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.578000Z",
"spacegroup": 216
},
{
"id": "mp-1221791",
"created_at": "2022-09-04T14:47:40.257096Z",
"structure_string": "Mn2 Sb2 Pt1 Au1\n1.0\n7.459494 -2.242582 0.000000\n7.459494 2.242582 0.000000\n6.785295 0.000000 3.825309\nMn Sb Pt Au\n2 2 1 1\ndirect\n0.747339 0.747339 0.747339 Mn\n0.252117 0.252117 0.252117 Mn\n0.997015 0.997015 0.997015 Sb\n0.503590 0.503590 0.503590 Sb\n0.625766 0.625766 0.625766 Pt\n0.124172 0.124172 0.124172 Au\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Mn",
"Sb",
"Pt",
"Au"
],
"chemical_system": "Au-Mn-Pt-Sb",
"density": 9.671892286073145,
"density_atomic": 0.04688101777306569,
"volume": 127.98356957700582,
"volume_molar": 12.845584515999713,
"formula_full": "Mn2 Sb2 Pt1 Au1",
"formula_reduced": "Mn2Sb2PtAu",
"formula_anonymous": "ABC2D2",
"energy": -37.3767749,
"energy_per_atom": -6.229462483333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.9927749,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.001792,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.059000Z",
"spacegroup": 160
},
{
"id": "mp-504867",
"created_at": "2022-09-04T14:47:33.851862Z",
"structure_string": "Sr6 Cu2 Ir2 O12\n1.0\n4.890439 4.730182 0.000000\n-4.890439 4.730182 0.000000\n0.000000 0.124031 6.766276\nSr Cu Ir O\n6 2 2 12\ndirect\n0.601225 0.398775 0.750000 Sr\n0.398775 0.601225 0.250000 Sr\n0.108066 0.258217 0.620310 Sr\n0.741783 0.891934 0.879690 Sr\n0.891934 0.741783 0.379690 Sr\n0.258217 0.108066 0.120310 Sr\n0.808410 0.191590 0.250000 Cu\n0.191590 0.808410 0.750000 Cu\n0.000000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.782861 0.101901 0.536795 O\n0.898099 0.217139 0.963205 O\n0.217139 0.898099 0.463205 O\n0.101901 0.782861 0.036795 O\n0.604669 0.970450 0.217148 O\n0.029550 0.395331 0.282852 O\n0.395331 0.029550 0.782852 O\n0.970450 0.604669 0.717148 O\n0.428460 0.278166 0.429910 O\n0.721834 0.571540 0.070090 O\n0.571540 0.721834 0.570090 O\n0.278166 0.428460 0.929910 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Ir",
"O"
],
"chemical_system": "Cu-Ir-O-Sr",
"density": 6.520485831626734,
"density_atomic": 0.0702776577939664,
"volume": 313.0440127145043,
"volume_molar": 8.569068675645338,
"formula_full": "Sr6 Cu2 Ir2 O12",
"formula_reduced": "Sr3CuIrO6",
"formula_anonymous": "ABC3D6",
"energy": -145.25115095,
"energy_per_atom": -6.602325043181819,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.00715095,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0118858,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:16.175000Z",
"spacegroup": 15
},
{
"id": "mp-1210834",
"created_at": "2022-09-04T14:47:28.861885Z",
"structure_string": "Mg7 Si8 O24\n1.0\n9.179784 4.797815 0.000000\n-9.179784 4.797815 0.000000\n0.000000 1.139143 5.239660\nMg Si O\n7 8 24\ndirect\n0.744406 0.255594 0.500000 Mg\n0.255594 0.744406 0.500000 Mg\n0.821691 0.178309 0.000000 Mg\n0.178309 0.821691 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.908279 0.091721 0.500000 Mg\n0.091721 0.908279 0.500000 Mg\n0.629141 0.797157 0.274318 Si\n0.370859 0.202843 0.725682 Si\n0.202843 0.370859 0.725682 Si\n0.797157 0.629141 0.274318 Si\n0.467901 0.128466 0.219918 Si\n0.532099 0.871534 0.780082 Si\n0.871534 0.532099 0.780082 Si\n0.128466 0.467901 0.219918 Si\n0.469165 0.230890 0.442124 O\n0.530835 0.769110 0.557876 O\n0.769110 0.530835 0.557876 O\n0.230890 0.469165 0.442124 O\n0.657755 0.657755 0.269928 O\n0.342245 0.342245 0.730072 O\n0.906572 0.906572 0.684682 O\n0.093428 0.093428 0.315318 O\n0.518303 0.783062 0.065497 O\n0.481697 0.216938 0.934503 O\n0.216938 0.481697 0.934503 O\n0.783062 0.518303 0.065497 O\n0.626981 0.136256 0.232076 O\n0.373019 0.863744 0.767924 O\n0.863744 0.373019 0.767924 O\n0.136256 0.626981 0.232076 O\n0.799483 0.974623 0.207091 O\n0.200517 0.025377 0.792909 O\n0.025377 0.200517 0.792909 O\n0.974623 0.799483 0.207091 O\n0.297476 0.947545 0.285060 O\n0.702524 0.052455 0.714940 O\n0.052455 0.702524 0.714940 O\n0.947545 0.297476 0.285060 O\n",
"nsites": 39,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 2.8020026576404535,
"density_atomic": 0.08449977341959874,
"volume": 461.53969912248783,
"volume_molar": 7.126812908829924,
"formula_full": "Mg7 Si8 O24",
"formula_reduced": "Mg7(SiO3)8",
"formula_anonymous": "A7B8C24",
"energy": -294.23450371,
"energy_per_atom": -7.544474454102565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -277.74650371,
"band_gap": 0.2206000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.0036817,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.727000Z",
"spacegroup": 12
}
]
}