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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=7",
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"results": [
{
"id": "mp-1182433",
"created_at": "2022-09-04T14:40:39.663714Z",
"structure_string": "Ba4 O16\n1.0\n8.588572 0.000000 0.000000\n0.000000 4.801488 0.000000\n0.000000 0.040362 8.731385\nBa O\n4 16\ndirect\n0.363783 0.234742 0.670555 Ba\n0.863783 0.765258 0.829445 Ba\n0.636217 0.765258 0.329445 Ba\n0.136217 0.234742 0.170555 Ba\n0.490923 0.729566 0.620752 O\n0.990923 0.270434 0.879248 O\n0.509077 0.270434 0.379248 O\n0.009077 0.729566 0.120752 O\n0.706804 0.230726 0.665283 O\n0.206804 0.769274 0.834717 O\n0.293196 0.769274 0.334717 O\n0.793196 0.230726 0.165283 O\n0.794621 0.086013 0.569806 O\n0.294621 0.913987 0.930194 O\n0.205379 0.913987 0.430194 O\n0.705379 0.086013 0.069806 O\n0.048958 0.288463 0.732033 O\n0.548958 0.711537 0.767967 O\n0.951042 0.711537 0.267967 O\n0.451042 0.288463 0.232033 O\n",
"nsites": 20,
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"elements": [
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"O"
],
"chemical_system": "Ba-O",
"density": 3.7138639206251836,
"density_atomic": 0.0555456494169598,
"volume": 360.0642032262095,
"volume_molar": 10.841786572327399,
"formula_full": "Ba4 O16",
"formula_reduced": "BaO4",
"formula_anonymous": "AB4",
"energy": -110.60226877999996,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:03.339000Z",
"spacegroup": 14
},
{
"id": "mp-1189040",
"created_at": "2022-09-04T14:40:39.745499Z",
"structure_string": "Pt1 C8 N2 Cl6\n1.0\n0.000000 5.425905 5.425905\n5.425905 0.000000 5.425905\n5.425905 5.425905 0.000000\nPt C N Cl\n1 8 2 6\ndirect\n0.000000 0.000000 0.000000 Pt\n0.673229 0.673229 0.980313 C\n0.673229 0.980313 0.673229 C\n0.980313 0.673229 0.673229 C\n0.673229 0.673229 0.673229 C\n0.326771 0.326771 0.019687 C\n0.326771 0.019687 0.326771 C\n0.019687 0.326771 0.326771 C\n0.326771 0.326771 0.326771 C\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n0.784874 0.784874 0.215126 Cl\n0.215126 0.784874 0.215126 Cl\n0.784874 0.215126 0.215126 Cl\n0.215126 0.215126 0.784874 Cl\n0.784874 0.215126 0.784874 Cl\n0.215126 0.784874 0.784874 Cl\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Pt",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-N-Pt",
"density": 2.7646066720625293,
"density_atomic": 0.05321111617126803,
"volume": 319.4821162044962,
"volume_molar": 11.317448671095018,
"formula_full": "Pt1 C8 N2 Cl6",
"formula_reduced": "PtC8(NCl3)2",
"formula_anonymous": "AB2C6D8",
"energy": -73.76133081,
"energy_per_atom": -4.338901812352941,
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"energy_uncorrected": -69.35533081,
"band_gap": 0.0446999999999999,
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"total_magnetization": 0.0002547,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:07.535000Z",
"spacegroup": 225
},
{
"id": "mp-1182388",
"created_at": "2022-09-04T14:40:39.756645Z",
"structure_string": "Ba2 V4 P4 H16 O28\n1.0\n5.006949 0.000000 -5.024300\n0.000000 14.013462 0.000000\n-0.360124 0.000000 9.684931\nBa V P H O\n2 4 4 16 28\ndirect\n0.421618 0.713223 0.425107 Ba\n0.421618 0.286777 0.925107 Ba\n0.015227 0.555293 0.626727 V\n0.015227 0.444707 0.126727 V\n0.549315 0.999114 0.822607 V\n0.549315 0.000886 0.322607 V\n0.494212 0.508219 0.646347 P\n0.494212 0.491781 0.146347 P\n0.999647 0.963782 0.328426 P\n0.999647 0.036218 0.828426 P\n0.800941 0.708454 0.402376 H\n0.800941 0.291546 0.902376 H\n0.854719 0.812606 0.314113 H\n0.854719 0.187394 0.814113 H\n0.602882 0.696164 0.158769 H\n0.602882 0.303836 0.658769 H\n0.546324 0.700802 0.859772 H\n0.546324 0.299198 0.359772 H\n0.833878 0.649720 0.000176 H\n0.833878 0.350280 0.500176 H\n0.172547 0.600702 0.961276 H\n0.172547 0.399298 0.461276 H\n0.200406 0.854983 0.701752 H\n0.200406 0.145017 0.201752 H\n0.326312 0.915341 0.901096 H\n0.326312 0.084659 0.401096 H\n0.964083 0.681177 0.619879 O\n0.964083 0.318823 0.119879 O\n0.676298 0.553519 0.635235 O\n0.676298 0.446481 0.135235 O\n0.654613 0.550330 0.337822 O\n0.654613 0.449670 0.837822 O\n0.308547 0.575948 0.966984 O\n0.308547 0.424052 0.466984 O\n0.283087 0.577236 0.599380 O\n0.283087 0.422764 0.099380 O\n0.085688 0.431358 0.673787 O\n0.085688 0.568642 0.173787 O\n0.291367 0.007189 0.505545 O\n0.291367 0.992811 0.005545 O\n0.803456 0.979498 0.816471 O\n0.803456 0.020502 0.316471 O\n0.892835 0.968817 0.123230 O\n0.892835 0.031183 0.623230 O\n0.364566 0.887966 0.825914 O\n0.364566 0.112034 0.325914 O\n0.667673 0.742782 0.261051 O\n0.667673 0.257218 0.761051 O\n0.735425 0.711718 0.929967 O\n0.735425 0.288282 0.429967 O\n0.035043 0.856245 0.395320 O\n0.035043 0.143755 0.895320 O\n0.482690 0.105834 0.846868 O\n0.482690 0.894166 0.346868 O\n",
"nsites": 54,
"nelements": 5,
"elements": [
"Ba",
"V",
"P",
"H",
"O"
],
"chemical_system": "Ba-H-O-P-V",
"density": 2.70694355194644,
"density_atomic": 0.08254550464680871,
"volume": 654.1846249659786,
"volume_molar": 7.295540545505433,
"formula_full": "Ba2 V4 P4 H16 O28",
"formula_reduced": "BaV2P2(H4O7)2",
"formula_anonymous": "AB2C2D8E14",
"energy": -362.30363272,
"energy_per_atom": -6.709326531851851,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -336.26763272,
"band_gap": 2.4038,
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"is_magnetic": true,
"total_magnetization": 3.9997297,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.811000Z",
"spacegroup": 7
},
{
"id": "mp-1190650",
"created_at": "2022-09-04T14:40:40.126358Z",
"structure_string": "Ni4 Sb4 O14\n1.0\n0.000000 5.097222 5.097222\n5.097222 0.000000 5.097222\n5.097222 5.097222 0.000000\nNi Sb O\n4 4 14\ndirect\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.125000 0.125000 0.125000 Ni\n0.125000 0.625000 0.625000 Sb\n0.625000 0.125000 0.625000 Sb\n0.625000 0.625000 0.125000 Sb\n0.625000 0.625000 0.625000 Sb\n0.706106 0.706106 0.293894 O\n0.293894 0.293894 0.706106 O\n0.706106 0.293894 0.706106 O\n0.293894 0.706106 0.293894 O\n0.293894 0.706106 0.706106 O\n0.706106 0.293894 0.293894 O\n0.543894 0.543894 0.956106 O\n0.956106 0.956106 0.543894 O\n0.543894 0.956106 0.543894 O\n0.956106 0.543894 0.956106 O\n0.956106 0.543894 0.543894 O\n0.543894 0.956106 0.956106 O\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ni",
"Sb",
"O"
],
"chemical_system": "Ni-O-Sb",
"density": 5.929528387226729,
"density_atomic": 0.08306002136739944,
"volume": 264.8687014260132,
"volume_molar": 7.250348195026657,
"formula_full": "Ni4 Sb4 O14",
"formula_reduced": "Ni2Sb2O7",
"formula_anonymous": "A2B2C7",
"energy": -139.20803653000002,
"energy_per_atom": -6.32763802409091,
"energy_above_hull": null,
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"energy_uncorrected": -119.42603653,
"band_gap": 1.0252999999999997,
"is_gap_direct": true,
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"updated_at": "2021-11-28T01:35:03.867000Z",
"spacegroup": 227
},
{
"id": "mp-1245345",
"created_at": "2022-09-04T14:40:39.529366Z",
"structure_string": "Mn12 Cd32 N36\n1.0\n7.014177 0.000000 -0.471757\n0.000000 10.488721 0.000000\n-6.034821 0.000000 17.897482\nMn Cd N\n12 32 36\ndirect\n0.504755 0.090179 0.739438 Mn\n0.495245 0.590179 0.760562 Mn\n0.495245 0.909821 0.260562 Mn\n0.504755 0.409821 0.239438 Mn\n0.858133 0.878734 0.591535 Mn\n0.141867 0.378734 0.908465 Mn\n0.141867 0.121266 0.408465 Mn\n0.858133 0.621266 0.091535 Mn\n0.784332 0.391674 0.571632 Mn\n0.215668 0.891674 0.928368 Mn\n0.215668 0.608326 0.428368 Mn\n0.784332 0.108326 0.071632 Mn\n0.566229 0.924914 0.124759 Cd\n0.433771 0.424914 0.375241 Cd\n0.433771 0.075086 0.875241 Cd\n0.566229 0.575086 0.624759 Cd\n0.572020 0.110025 0.579017 Cd\n0.427980 0.610025 0.920983 Cd\n0.427980 0.889975 0.420983 Cd\n0.572020 0.389975 0.079017 Cd\n0.826555 0.830253 0.761029 Cd\n0.173445 0.330253 0.738971 Cd\n0.173445 0.169746 0.238971 Cd\n0.826555 0.669747 0.261029 Cd\n0.672577 0.358583 0.733448 Cd\n0.327423 0.858583 0.766552 Cd\n0.327423 0.641417 0.266552 Cd\n0.672577 0.141417 0.233448 Cd\n0.673444 0.337044 0.904945 Cd\n0.326556 0.837044 0.595055 Cd\n0.326556 0.662956 0.095055 Cd\n0.673444 0.162956 0.404945 Cd\n0.021031 0.119735 0.858661 Cd\n0.978969 0.619735 0.641339 Cd\n0.978969 0.880265 0.141339 Cd\n0.021031 0.380265 0.358661 Cd\n0.023056 0.108166 0.586203 Cd\n0.976944 0.608166 0.913797 Cd\n0.976944 0.891834 0.413797 Cd\n0.023056 0.391834 0.086203 Cd\n0.223607 0.359140 0.540673 Cd\n0.776393 0.859140 0.959327 Cd\n0.776393 0.640860 0.459327 Cd\n0.223607 0.140860 0.040673 Cd\n0.590611 0.330131 0.601625 N\n0.409389 0.830131 0.898375 N\n0.409389 0.669869 0.398375 N\n0.590611 0.169869 0.101625 N\n0.477600 0.230024 0.786687 N\n0.522400 0.730024 0.713313 N\n0.522400 0.769976 0.213313 N\n0.477600 0.269976 0.286687 N\n0.720863 0.074054 0.978720 N\n0.279137 0.574054 0.521280 N\n0.279137 0.925946 0.021280 N\n0.720863 0.425946 0.478720 N\n0.596396 0.884690 0.556742 N\n0.403604 0.384690 0.943258 N\n0.403604 0.115310 0.443258 N\n0.596396 0.615310 0.056742 N\n0.739215 0.034839 0.773760 N\n0.260785 0.534839 0.726240 N\n0.260785 0.965161 0.226240 N\n0.739215 0.465161 0.273760 N\n0.029497 0.321769 0.612544 N\n0.970503 0.821769 0.887456 N\n0.970503 0.678231 0.387456 N\n0.029497 0.178231 0.112544 N\n0.001809 0.323924 0.814188 N\n0.998191 0.823924 0.685812 N\n0.998191 0.676076 0.185812 N\n0.001809 0.176076 0.314188 N\n0.025897 0.182605 0.467794 N\n0.974103 0.682605 0.032206 N\n0.974103 0.817395 0.532206 N\n0.025897 0.317395 0.967794 N\n0.359959 0.051842 0.646075 N\n0.640041 0.551842 0.853925 N\n0.640041 0.948158 0.353925 N\n0.359959 0.448158 0.146075 N\n",
"nsites": 80,
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"elements": [
"Mn",
"Cd",
"N"
],
"chemical_system": "Cd-Mn-N",
"density": 6.143087204663425,
"density_atomic": 0.06216720469794123,
"volume": 1286.8521335116316,
"volume_molar": 9.687005856641697,
"formula_full": "Mn12 Cd32 N36",
"formula_reduced": "Mn3Cd8N9",
"formula_anonymous": "A3B8C9",
"energy": -421.4929995,
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"updated_at": "2021-11-28T01:35:02.232000Z",
"spacegroup": 14
},
{
"id": "mp-1097187",
"created_at": "2022-09-04T14:40:39.606950Z",
"structure_string": "Li2 Mg1 Zn1\n1.0\n-5.650745 5.804599 7.990925\n5.650745 -5.804599 7.990925\n5.650745 5.804599 -7.990925\nLi Mg Zn\n2 1 1\ndirect\n0.261001 0.000000 0.261001 Li\n0.738999 0.000000 0.738999 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"Mg",
"Zn"
],
"chemical_system": "Li-Mg-Zn",
"density": 0.1640805512542381,
"density_atomic": 0.0038152676781840543,
"volume": 1048.4192296315819,
"volume_molar": 157.8432044083037,
"formula_full": "Li2 Mg1 Zn1",
"formula_reduced": "Li2MgZn",
"formula_anonymous": "ABC2",
"energy": -2.7524977,
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"energy_uncorrected": -2.7524977,
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"updated_at": "2021-11-28T01:35:06.951000Z",
"spacegroup": 71
},
{
"id": "mp-849513",
"created_at": "2022-09-04T14:40:39.648015Z",
"structure_string": "Fe4 Sb2 P6 O24\n1.0\n7.712082 -4.345020 0.000000\n7.712082 4.345020 0.000000\n5.264080 0.000000 7.116521\nFe Sb P O\n4 2 6 24\ndirect\n0.850845 0.850845 0.850845 Fe\n0.649155 0.649155 0.649155 Fe\n0.350845 0.350845 0.350845 Fe\n0.149155 0.149155 0.149155 Fe\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.540739 0.959261 0.250000 P\n0.250000 0.540739 0.959261 P\n0.959261 0.250000 0.540739 P\n0.040739 0.750000 0.459261 P\n0.750000 0.459261 0.040739 P\n0.459261 0.040739 0.750000 P\n0.492938 0.883773 0.697278 O\n0.883773 0.697278 0.492938 O\n0.733224 0.940006 0.082923 O\n0.697278 0.492938 0.883773 O\n0.383773 0.992938 0.197278 O\n0.559994 0.766776 0.417077 O\n0.082923 0.733224 0.940006 O\n0.417077 0.559994 0.766776 O\n0.007062 0.802722 0.616227 O\n0.766776 0.417077 0.559994 O\n0.059994 0.917077 0.266776 O\n0.802722 0.616227 0.007062 O\n0.197278 0.383773 0.992938 O\n0.940006 0.082923 0.733224 O\n0.233224 0.582923 0.440006 O\n0.992938 0.197278 0.383773 O\n0.582923 0.440006 0.233224 O\n0.917077 0.266776 0.059994 O\n0.440006 0.233224 0.582923 O\n0.616227 0.007062 0.802722 O\n0.302722 0.507062 0.116227 O\n0.266776 0.059994 0.917077 O\n0.116227 0.302722 0.507062 O\n0.507062 0.116227 0.302722 O\n",
"nsites": 36,
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"elements": [
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"Sb",
"P",
"O"
],
"chemical_system": "Fe-O-P-Sb",
"density": 3.6095482229393054,
"density_atomic": 0.07548164414096482,
"volume": 476.9371469011544,
"volume_molar": 7.978285089754305,
"formula_full": "Fe4 Sb2 P6 O24",
"formula_reduced": "Fe2Sb(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -276.54394019,
"energy_per_atom": -7.681776116388889,
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"updated_at": "2021-11-28T01:35:04.239000Z",
"spacegroup": 167
},
{
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