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_stable&page=10229",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=10227",
"results": [
{
"id": "mp-1097286",
"created_at": "2022-09-04T14:47:56.951602Z",
"structure_string": "Sc2 Hg1 Pt1\n1.0\n-5.385090 5.922156 8.364363\n5.385090 -5.922156 8.364363\n5.385090 5.922156 -8.364363\nSc Hg Pt\n2 1 1\ndirect\n0.000000 0.218275 0.218275 Sc\n0.000000 0.781725 0.781725 Sc\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Hg",
"Pt"
],
"chemical_system": "Hg-Pt-Sc",
"density": 0.7557000035630185,
"density_atomic": 0.003748817671713335,
"volume": 1067.0030794460768,
"volume_molar": 160.6410683944434,
"formula_full": "Sc2 Hg1 Pt1",
"formula_reduced": "Sc2HgPt",
"formula_anonymous": "ABC2",
"energy": -13.02220524,
"energy_per_atom": -3.25555131,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.02220524,
"band_gap": 0.2011000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.229843,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.848000Z",
"spacegroup": 71
},
{
"id": "mp-1226411",
"created_at": "2022-09-04T14:47:56.960582Z",
"structure_string": "K4 Mg4 Br6 Cl6 O24\n1.0\n6.792969 0.000000 0.000000\n0.000000 9.837833 0.000000\n0.000000 5.314069 13.784850\nK Mg Br Cl O\n4 4 6 6 24\ndirect\n0.967113 0.500000 0.750000 K\n0.032887 0.500000 0.250000 K\n0.828057 0.000000 0.250000 K\n0.171943 0.000000 0.750000 K\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.476964 0.500000 0.750000 Br\n0.523036 0.500000 0.250000 Br\n0.785853 0.731473 0.458826 Br\n0.785853 0.268527 0.041174 Br\n0.214147 0.731473 0.958826 Br\n0.214147 0.268527 0.541174 Br\n0.126944 0.844567 0.143709 Cl\n0.126944 0.155433 0.356291 Cl\n0.873056 0.844567 0.643709 Cl\n0.873056 0.155433 0.856291 Cl\n0.356453 0.000000 0.250000 Cl\n0.643547 0.000000 0.750000 Cl\n0.313598 0.750513 0.476885 O\n0.313598 0.249487 0.023115 O\n0.686402 0.750513 0.976885 O\n0.686402 0.249487 0.523115 O\n0.356834 0.904106 0.150881 O\n0.356834 0.095894 0.349119 O\n0.643166 0.904106 0.650881 O\n0.643166 0.095894 0.849119 O\n0.496642 0.557615 0.356251 O\n0.496642 0.442385 0.143749 O\n0.503358 0.557615 0.856251 O\n0.503358 0.442385 0.643749 O\n0.296921 0.184058 0.956419 O\n0.296921 0.815942 0.543581 O\n0.703079 0.184058 0.456419 O\n0.703079 0.815942 0.043581 O\n0.763921 0.388796 0.491744 O\n0.763921 0.611204 0.008256 O\n0.236079 0.388796 0.991744 O\n0.236079 0.611204 0.508256 O\n0.307950 0.913107 0.931064 O\n0.307950 0.086893 0.568936 O\n0.692050 0.913107 0.431064 O\n0.692050 0.086893 0.068936 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"K",
"Mg",
"Br",
"Cl",
"O"
],
"chemical_system": "Br-Cl-K-Mg-O",
"density": 2.3969278877831868,
"density_atomic": 0.04776299516557498,
"volume": 921.2152597941105,
"volume_molar": 12.608381738045686,
"formula_full": "K4 Mg4 Br6 Cl6 O24",
"formula_reduced": "K2Mg2Br3(ClO4)3",
"formula_anonymous": "A2B2C3D3E12",
"energy": -176.09537795,
"energy_per_atom": -4.0021676806818185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.41137795,
"band_gap": 0.1935,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0035407,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.260000Z",
"spacegroup": 13
},
{
"id": "mp-1093668",
"created_at": "2022-09-04T14:47:57.087284Z",
"structure_string": "Ca2 Cd1 Ag1\n1.0\n-6.424899 6.445594 9.093475\n6.424899 -6.445594 9.093475\n6.424899 6.445594 -9.093475\nCa Cd Ag\n2 1 1\ndirect\n0.000000 0.235269 0.235269 Ca\n0.000000 0.764731 0.764731 Ca\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"Ag"
],
"chemical_system": "Ag-Ca-Cd",
"density": 0.3311927280044247,
"density_atomic": 0.002655466772762036,
"volume": 1506.3265114176036,
"volume_molar": 226.7827570569139,
"formula_full": "Ca2 Cd1 Ag1",
"formula_reduced": "Ca2CdAg",
"formula_anonymous": "ABC2",
"energy": -3.52443568,
"energy_per_atom": -0.88110892,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.52443568,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030042,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.165000Z",
"spacegroup": 71
},
{
"id": "mp-769049",
"created_at": "2022-09-04T14:47:58.085955Z",
"structure_string": "Ba4 La4 Cl20\n1.0\n5.948255 0.000000 0.000000\n0.000000 7.312739 0.000000\n0.000000 0.000000 19.135882\nBa La Cl\n4 4 20\ndirect\n0.781685 0.250000 0.056437 Ba\n0.281685 0.750000 0.443563 Ba\n0.718315 0.250000 0.556437 Ba\n0.218315 0.750000 0.943563 Ba\n0.433238 0.750000 0.178686 La\n0.933238 0.250000 0.321314 La\n0.066762 0.750000 0.678686 La\n0.566762 0.250000 0.821314 La\n0.722962 0.750000 0.062978 Cl\n0.242993 0.493593 0.085972 Cl\n0.242993 0.006407 0.085972 Cl\n0.763508 0.477366 0.207352 Cl\n0.763508 0.022634 0.207352 Cl\n0.263508 0.977366 0.292648 Cl\n0.263508 0.522634 0.292648 Cl\n0.742993 0.993593 0.414028 Cl\n0.742993 0.506407 0.414028 Cl\n0.222962 0.250000 0.437022 Cl\n0.777038 0.750000 0.562978 Cl\n0.257007 0.493593 0.585972 Cl\n0.257007 0.006407 0.585972 Cl\n0.736492 0.477366 0.707352 Cl\n0.736492 0.022634 0.707352 Cl\n0.236492 0.977366 0.792648 Cl\n0.236492 0.522634 0.792648 Cl\n0.757007 0.993593 0.914028 Cl\n0.757007 0.506407 0.914028 Cl\n0.277038 0.250000 0.937022 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"La",
"Cl"
],
"chemical_system": "Ba-Cl-La",
"density": 3.6188103311400845,
"density_atomic": 0.03363875358285746,
"volume": 832.3732902597495,
"volume_molar": 17.902389710030533,
"formula_full": "Ba4 La4 Cl20",
"formula_reduced": "BaLaCl5",
"formula_anonymous": "ABC5",
"energy": -143.55881729,
"energy_per_atom": -5.1271006175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.27881729,
"band_gap": 3.785,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.5e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.439000Z",
"spacegroup": 62
},
{
"id": "mp-1522826",
"created_at": "2022-09-04T14:47:56.945684Z",
"structure_string": "Sr1 Eu1 Dy1 Sb1 O6\n1.0\n0.000000 -4.195909 -4.195909\n4.195909 -0.000000 -4.195909\n4.195909 -4.195909 -0.000000\nSr Eu Dy Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Sb\n0.737405 0.262595 0.262595 O\n0.262595 0.737405 0.737405 O\n0.737405 0.262595 0.737405 O\n0.262595 0.737405 0.262595 O\n0.737405 0.737405 0.262595 O\n0.262595 0.262595 0.737405 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Dy",
"Sb",
"O"
],
"chemical_system": "Dy-Eu-O-Sb-Sr",
"density": 6.966598772084006,
"density_atomic": 0.0676849047568235,
"volume": 147.743430177345,
"volume_molar": 8.897317328932035,
"formula_full": "Sr1 Eu1 Dy1 Sb1 O6",
"formula_reduced": "SrEuDySbO6",
"formula_anonymous": "ABCDE6",
"energy": -80.6707815,
"energy_per_atom": -8.06707815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.5487815,
"band_gap": 0.2673999999999994,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.914000Z",
"spacegroup": 216
},
{
"id": "mp-1080645",
"created_at": "2022-09-04T14:47:56.945158Z",
"structure_string": "Dy2 Fe2 Ge4\n1.0\n2.081494 -8.143683 0.000000\n2.081494 8.143683 0.000000\n0.000000 0.000000 4.323325\nDy Fe Ge\n2 2 4\ndirect\n0.893966 0.106034 0.250000 Dy\n0.106034 0.893966 0.750000 Dy\n0.684527 0.315473 0.250000 Fe\n0.315473 0.684527 0.750000 Fe\n0.543795 0.456205 0.250000 Ge\n0.456205 0.543795 0.750000 Ge\n0.252680 0.747320 0.250000 Ge\n0.747320 0.252680 0.750000 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Dy",
"Fe",
"Ge"
],
"chemical_system": "Dy-Fe-Ge",
"density": 8.239273589725723,
"density_atomic": 0.054581577542386524,
"volume": 146.56960022431423,
"volume_molar": 11.03328454609685,
"formula_full": "Dy2 Fe2 Ge4",
"formula_reduced": "DyFeGe2",
"formula_anonymous": "ABC2",
"energy": -48.29704223,
"energy_per_atom": -6.03713027875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.29704223,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0629876,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.437000Z",
"spacegroup": 63
},
{
"id": "mp-1182443",
"created_at": "2022-09-04T14:47:56.953943Z",
"structure_string": "Fe4 Co2 As4 H20 O28\n1.0\n9.437972 0.000000 0.000000\n0.000000 5.725971 0.000000\n0.000000 0.037707 10.741694\nFe Co As H O\n4 2 4 20 28\ndirect\n0.138410 0.645131 0.453827 Fe\n0.638410 0.854869 0.546173 Fe\n0.861590 0.354869 0.546173 Fe\n0.361590 0.145131 0.453827 Fe\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.573128 0.319934 0.715753 As\n0.073128 0.180066 0.284247 As\n0.426872 0.680066 0.284247 As\n0.926872 0.819934 0.715753 As\n0.803677 0.690177 0.064207 H\n0.303677 0.809823 0.935793 H\n0.196323 0.309823 0.935793 H\n0.696323 0.190177 0.064207 H\n0.694354 0.728955 0.901985 H\n0.194354 0.771045 0.098015 H\n0.305646 0.271045 0.098015 H\n0.805646 0.228955 0.901985 H\n0.443637 0.935274 0.885052 H\n0.943637 0.564726 0.114948 H\n0.449045 0.671838 0.749465 H\n0.949045 0.828162 0.250535 H\n0.550955 0.328162 0.250535 H\n0.050955 0.171838 0.749465 H\n0.657761 0.492362 0.412525 H\n0.157761 0.007638 0.587475 H\n0.342239 0.507638 0.587475 H\n0.842239 0.992362 0.412525 H\n0.556363 0.064726 0.114948 H\n0.056363 0.435274 0.885052 H\n0.001950 0.255708 0.147478 O\n0.998050 0.744292 0.852522 O\n0.752711 0.342915 0.704732 O\n0.498050 0.755708 0.147478 O\n0.247289 0.657085 0.295268 O\n0.747289 0.842915 0.704732 O\n0.777568 0.073044 0.470523 O\n0.277568 0.426956 0.529477 O\n0.222432 0.926956 0.529477 O\n0.722432 0.573044 0.470523 O\n0.103057 0.280191 0.883872 O\n0.603057 0.219809 0.116128 O\n0.896943 0.719809 0.116128 O\n0.396943 0.780191 0.883872 O\n0.812252 0.112264 0.968328 O\n0.312252 0.387736 0.031672 O\n0.187748 0.887736 0.031672 O\n0.687748 0.612264 0.968328 O\n0.005726 0.099984 0.670563 O\n0.505726 0.400016 0.329437 O\n0.994274 0.900016 0.329437 O\n0.494274 0.599984 0.670563 O\n0.985253 0.634246 0.596100 O\n0.485253 0.865754 0.403900 O\n0.014747 0.365754 0.403900 O\n0.514747 0.134246 0.596100 O\n0.252711 0.157085 0.295268 O\n0.501950 0.244292 0.852522 O\n",
"nsites": 58,
"nelements": 5,
"elements": [
"Fe",
"Co",
"As",
"H",
"O"
],
"chemical_system": "As-Co-Fe-H-O",
"density": 3.172556213375148,
"density_atomic": 0.09991423981141007,
"volume": 580.4978360389475,
"volume_molar": 6.02730979224473,
"formula_full": "Fe4 Co2 As4 H20 O28",
"formula_reduced": "Fe2CoAs2(H5O7)2",
"formula_anonymous": "AB2C2D10E14",
"energy": -342.75944114,
"energy_per_atom": -5.9096455368965515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -311.22344114,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1370258,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.491000Z",
"spacegroup": 14
},
{
"id": "mp-1180695",
"created_at": "2022-09-04T14:47:56.956218Z",
"structure_string": "Rb24 V8 O64\n1.0\n7.735932 0.000000 0.000000\n0.000000 16.406102 0.000000\n0.000000 0.000000 17.305651\nRb V O\n24 8 64\ndirect\n0.677613 0.808032 0.519634 Rb\n0.322387 0.691968 0.019634 Rb\n0.822387 0.308032 0.480366 Rb\n0.177613 0.191968 0.980366 Rb\n0.322387 0.191968 0.480366 Rb\n0.677613 0.308032 0.980366 Rb\n0.177613 0.691968 0.519634 Rb\n0.822387 0.808032 0.019634 Rb\n0.855023 0.795244 0.785521 Rb\n0.144977 0.704756 0.285521 Rb\n0.644977 0.295244 0.214479 Rb\n0.355023 0.204756 0.714479 Rb\n0.144977 0.204756 0.214479 Rb\n0.855023 0.295244 0.714479 Rb\n0.355023 0.704756 0.785521 Rb\n0.644977 0.795244 0.285521 Rb\n0.300918 0.931620 0.913044 Rb\n0.699082 0.568380 0.413044 Rb\n0.199082 0.431620 0.086956 Rb\n0.800918 0.068380 0.586956 Rb\n0.699082 0.068380 0.086956 Rb\n0.300918 0.431620 0.586956 Rb\n0.800918 0.568380 0.913044 Rb\n0.199082 0.931620 0.413044 Rb\n0.082158 0.880344 0.625074 V\n0.917842 0.619656 0.125074 V\n0.417842 0.380344 0.374926 V\n0.582158 0.119656 0.874926 V\n0.917842 0.119656 0.374926 V\n0.082158 0.380344 0.874926 V\n0.582158 0.619656 0.625074 V\n0.417842 0.880344 0.125074 V\n0.037901 0.850141 0.532804 O\n0.962099 0.649859 0.032804 O\n0.462099 0.350141 0.467196 O\n0.537901 0.149859 0.967196 O\n0.962099 0.149859 0.467196 O\n0.037901 0.350141 0.967196 O\n0.537901 0.649859 0.532804 O\n0.462099 0.850141 0.032804 O\n0.157239 0.800779 0.677849 O\n0.842761 0.699221 0.177849 O\n0.342761 0.300779 0.322151 O\n0.657239 0.199221 0.822151 O\n0.842761 0.199221 0.322151 O\n0.157239 0.300779 0.822151 O\n0.657239 0.699221 0.677849 O\n0.342761 0.800779 0.177849 O\n0.270438 0.963546 0.615556 O\n0.729562 0.536454 0.115556 O\n0.229562 0.463546 0.384444 O\n0.770438 0.036454 0.884444 O\n0.729562 0.036454 0.384444 O\n0.270438 0.463546 0.884444 O\n0.770438 0.536454 0.615556 O\n0.229562 0.963546 0.115556 O\n0.902608 0.920711 0.667026 O\n0.097392 0.579289 0.167026 O\n0.597392 0.420711 0.332974 O\n0.402608 0.079289 0.832974 O\n0.097392 0.079289 0.332974 O\n0.902608 0.420711 0.832974 O\n0.402608 0.579289 0.667026 O\n0.597392 0.920711 0.167026 O\n0.120276 0.790004 0.905797 O\n0.879724 0.709996 0.405797 O\n0.379724 0.290004 0.094203 O\n0.620276 0.209996 0.594203 O\n0.879724 0.209996 0.094203 O\n0.120276 0.290004 0.594203 O\n0.620276 0.709996 0.905797 O\n0.379724 0.790004 0.405797 O\n0.711254 0.974718 0.927553 O\n0.288746 0.525282 0.427553 O\n0.788746 0.474718 0.072447 O\n0.211254 0.025282 0.572447 O\n0.288746 0.025282 0.072447 O\n0.711254 0.474718 0.572447 O\n0.211254 0.525282 0.927553 O\n0.788746 0.974718 0.427553 O\n0.044156 0.045544 0.773641 O\n0.955844 0.454456 0.273641 O\n0.455844 0.545544 0.226359 O\n0.544156 0.954456 0.726359 O\n0.955844 0.954456 0.226359 O\n0.044156 0.545544 0.726359 O\n0.544156 0.454456 0.773641 O\n0.455844 0.045544 0.273641 O\n0.502541 0.892345 0.762732 O\n0.497459 0.607655 0.262732 O\n0.997459 0.392345 0.237268 O\n0.002541 0.107655 0.737268 O\n0.497459 0.107655 0.237268 O\n0.502541 0.392345 0.737268 O\n0.002541 0.607655 0.762732 O\n0.997459 0.892345 0.262732 O\n",
"nsites": 96,
"nelements": 3,
"elements": [
"Rb",
"V",
"O"
],
"chemical_system": "O-Rb-V",
"density": 2.633066120784035,
"density_atomic": 0.04370843342543916,
"volume": 2196.372472689129,
"volume_molar": 13.777983533253323,
"formula_full": "Rb24 V8 O64",
"formula_reduced": "Rb3VO8",
"formula_anonymous": "AB3C8",
"energy": -526.22157388,
"energy_per_atom": -5.481474727916667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -502.31757388,
"band_gap": 0.0871,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 32.6396612,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.950000Z",
"spacegroup": 61
},
{
"id": "mp-510646",
"created_at": "2022-09-04T14:47:56.960314Z",
"structure_string": "Tl4 P4 Pb4 S16\n1.0\n6.664624 0.000000 0.000000\n0.000000 8.946710 0.000000\n0.000000 0.000000 12.523107\nTl P Pb S\n4 4 4 16\ndirect\n0.750000 0.629091 0.391704 Tl\n0.250000 0.370909 0.608296 Tl\n0.250000 0.129091 0.108296 Tl\n0.750000 0.870909 0.891704 Tl\n0.250000 0.873397 0.346922 P\n0.750000 0.126603 0.653078 P\n0.750000 0.373397 0.153078 P\n0.250000 0.626603 0.846922 P\n0.250000 0.895146 0.629601 Pb\n0.750000 0.104854 0.370399 Pb\n0.750000 0.395146 0.870399 Pb\n0.250000 0.604854 0.129601 Pb\n0.250000 0.694770 0.450237 S\n0.750000 0.305230 0.549763 S\n0.750000 0.194770 0.049763 S\n0.250000 0.805230 0.950237 S\n0.250000 0.071791 0.430914 S\n0.750000 0.928209 0.569086 S\n0.750000 0.571791 0.069086 S\n0.250000 0.428209 0.930914 S\n0.003992 0.863358 0.248497 S\n0.503992 0.136642 0.751503 S\n0.996008 0.363358 0.251503 S\n0.496008 0.636642 0.748497 S\n0.996008 0.136642 0.751503 S\n0.496008 0.863358 0.248497 S\n0.003992 0.636642 0.748497 S\n0.503992 0.363358 0.251503 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Tl",
"P",
"Pb",
"S"
],
"chemical_system": "P-Pb-S-Tl",
"density": 5.077558437544169,
"density_atomic": 0.03749789831441404,
"volume": 746.7085159073279,
"volume_molar": 16.05994210530224,
"formula_full": "Tl4 P4 Pb4 S16",
"formula_reduced": "TlPPbS4",
"formula_anonymous": "ABCD4",
"energy": -132.50962552,
"energy_per_atom": -4.7324866257142855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -124.46162552,
"band_gap": 2.0805,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003571,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:16.196000Z",
"spacegroup": 62
},
{
"id": "mp-1174851",
"created_at": "2022-09-04T14:47:56.965591Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.901583 0.000000 0.000000\n-1.291249 4.909361 0.000000\n-1.127563 -2.280599 15.196544\nLi Mn Co O\n7 2 3 12\ndirect\n0.007249 0.256577 0.750435 Li\n0.665243 0.415507 0.916737 Li\n0.334757 0.584493 0.083263 Li\n0.992751 0.743423 0.249565 Li\n0.693104 0.922748 0.426775 Li\n0.306896 0.077252 0.573225 Li\n0.000000 0.500000 0.500000 Li\n0.661891 0.671820 0.660557 Mn\n0.338109 0.328180 0.339443 Mn\n0.320624 0.829576 0.833247 Co\n0.000000 0.000000 0.000000 Co\n0.679376 0.170424 0.166753 Co\n0.296281 0.926874 0.707311 O\n0.000885 0.105473 0.873830 O\n0.674453 0.273269 0.040441 O\n0.346365 0.436208 0.210235 O\n0.964508 0.584821 0.368633 O\n0.674018 0.793189 0.553459 O\n0.653635 0.563792 0.789765 O\n0.325547 0.726731 0.959559 O\n0.999115 0.894527 0.126170 O\n0.703719 0.073126 0.292689 O\n0.325982 0.206811 0.446541 O\n0.035492 0.415179 0.631367 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.044505193069812,
"density_atomic": 0.11086805880113959,
"volume": 216.47352952258336,
"volume_molar": 5.431808606662552,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -153.21425311,
"energy_per_atom": -6.383927212916666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.72025311,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2486821,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.636000Z",
"spacegroup": 2
},
{
"id": "mp-1022665",
"created_at": "2022-09-04T14:47:56.974552Z",
"structure_string": "Mg12 Zr2 Cu2\n1.0\n4.903000 0.000000 0.000000\n0.000000 6.086728 0.000000\n0.000000 0.000000 11.191049\nMg Zr Cu\n12 2 2\ndirect\n0.000000 0.254347 0.075004 Mg\n0.000000 0.745653 0.075004 Mg\n0.000000 0.000000 0.333217 Mg\n0.500000 0.744397 0.420716 Mg\n0.500000 0.255603 0.420716 Mg\n0.500000 0.000000 0.176251 Mg\n0.000000 0.754347 0.575004 Mg\n0.000000 0.245653 0.575004 Mg\n0.000000 0.500000 0.833217 Mg\n0.500000 0.244397 0.920716 Mg\n0.500000 0.755603 0.920716 Mg\n0.500000 0.500000 0.676251 Mg\n0.000000 0.500000 0.313651 Zr\n0.000000 0.000000 0.813651 Zr\n0.500000 0.500000 0.185441 Cu\n0.500000 0.000000 0.685441 Cu\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Zr",
"Cu"
],
"chemical_system": "Cu-Mg-Zr",
"density": 2.989175982593547,
"density_atomic": 0.04790748777062008,
"volume": 333.9770199724858,
"volume_molar": 12.570353905497754,
"formula_full": "Mg12 Zr2 Cu2",
"formula_reduced": "Mg6ZrCu",
"formula_anonymous": "ABC6",
"energy": -43.40766823,
"energy_per_atom": -2.712979264375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.40766823,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0070022,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.869000Z",
"spacegroup": 38
},
{
"id": "mp-1096397",
"created_at": "2022-09-04T14:47:57.175601Z",
"structure_string": "Mg2 Ga1 Pd1\n1.0\n-5.436170 5.525282 7.798947\n5.436170 -5.525282 7.798947\n5.436170 5.525282 -7.798947\nMg Ga Pd\n2 1 1\ndirect\n0.000000 0.272099 0.272099 Mg\n0.000000 0.727901 0.727901 Mg\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Pd"
],
"chemical_system": "Ga-Mg-Pd",
"density": 0.398300779660075,
"density_atomic": 0.004268905617739705,
"volume": 937.0083009982111,
"volume_molar": 141.0698970474919,
"formula_full": "Mg2 Ga1 Pd1",
"formula_reduced": "Mg2GaPd",
"formula_anonymous": "ABC2",
"energy": -6.21738364,
"energy_per_atom": -1.55434591,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.21738364,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9581372,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.308000Z",
"spacegroup": 71
}
]
}