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_theoretical&page=12160",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=12158",
"results": [
{
"id": "mp-636934",
"created_at": "2022-09-04T14:48:15.618508Z",
"structure_string": "Bi12 O18\n1.0\n-5.416791 5.416791 5.416791\n5.416791 -5.416791 5.416791\n5.416791 5.416791 -5.416791\nBi O\n12 18\ndirect\n0.085139 0.492249 0.281839 Bi\n0.592890 0.789590 0.507751 Bi\n0.196700 0.407110 0.914861 Bi\n0.803300 0.718161 0.210410 Bi\n0.492249 0.281839 0.085139 Bi\n0.914861 0.196700 0.407110 Bi\n0.407110 0.914861 0.196700 Bi\n0.507751 0.592890 0.789590 Bi\n0.210410 0.803300 0.718161 Bi\n0.281839 0.085139 0.492249 Bi\n0.789590 0.507751 0.592890 Bi\n0.718161 0.210410 0.803300 Bi\n0.231066 0.000000 0.231066 O\n0.401631 0.071648 0.831424 O\n0.071648 0.831424 0.401631 O\n0.768934 0.768934 0.000000 O\n0.768934 0.000000 0.768934 O\n0.928352 0.329983 0.759777 O\n0.000000 0.768934 0.768934 O\n0.670016 0.598369 0.429793 O\n0.570207 0.168576 0.240223 O\n0.429793 0.670016 0.598369 O\n0.598369 0.429793 0.670016 O\n0.240223 0.570207 0.168576 O\n0.231066 0.231066 0.000000 O\n0.000000 0.231066 0.231066 O\n0.329983 0.759777 0.928352 O\n0.831424 0.401631 0.071648 O\n0.759777 0.928352 0.329984 O\n0.168576 0.240223 0.570207 O\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 7.30233619031341,
"density_atomic": 0.04718837540438812,
"volume": 635.7497952177912,
"volume_molar": 12.761915849809045,
"formula_full": "Bi12 O18",
"formula_reduced": "Bi2O3",
"formula_anonymous": "A2B3",
"energy": -176.73511661,
"energy_per_atom": -5.891170553666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -164.36911661,
"band_gap": 1.237,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001844,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:06.784000Z",
"spacegroup": 197
},
{
"id": "mp-1078202",
"created_at": "2022-09-04T14:48:15.643621Z",
"structure_string": "Yb4 Sn2 Ge4\n1.0\n7.375138 0.000000 0.000000\n0.000000 7.375138 0.000000\n0.000000 0.000000 4.387331\nYb Sn Ge\n4 2 4\ndirect\n0.675998 0.175998 0.500000 Yb\n0.324002 0.824002 0.500000 Yb\n0.175998 0.324002 0.500000 Yb\n0.824002 0.675998 0.500000 Yb\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.119598 0.619598 0.000000 Ge\n0.880402 0.380402 0.000000 Ge\n0.619598 0.880402 0.000000 Ge\n0.380402 0.119598 0.000000 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Yb",
"Sn",
"Ge"
],
"chemical_system": "Ge-Sn-Yb",
"density": 8.490202710716499,
"density_atomic": 0.041904368205728425,
"volume": 238.63860566767778,
"volume_molar": 14.371152741008892,
"formula_full": "Yb4 Sn2 Ge4",
"formula_reduced": "Yb2SnGe2",
"formula_anonymous": "AB2C2",
"energy": -38.84707177,
"energy_per_atom": -3.884707177,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.84707177,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003617,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:56.838000Z",
"spacegroup": 127
},
{
"id": "mp-13866",
"created_at": "2022-09-04T14:48:14.161102Z",
"structure_string": "Sb8 O16\n1.0\n0.000000 5.293020 5.293020\n5.293020 0.000000 5.293020\n5.293020 5.293020 0.000000\nSb O\n8 16\ndirect\n0.625000 0.625000 0.125000 Sb\n0.625000 0.125000 0.625000 Sb\n0.125000 0.625000 0.625000 Sb\n0.625000 0.625000 0.625000 Sb\n0.125000 0.125000 0.625000 Sb\n0.125000 0.625000 0.125000 Sb\n0.625000 0.125000 0.125000 Sb\n0.125000 0.125000 0.125000 Sb\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n0.750000 0.750000 0.750000 O\n0.500000 0.500000 0.500000 O\n0.270776 0.729224 0.270776 O\n0.520776 0.979224 0.520776 O\n0.270776 0.270776 0.729224 O\n0.729224 0.270776 0.270776 O\n0.729224 0.270776 0.729224 O\n0.979224 0.520776 0.520776 O\n0.520776 0.979224 0.979224 O\n0.979224 0.520776 0.979224 O\n0.520776 0.520776 0.979224 O\n0.979224 0.979224 0.520776 O\n0.729224 0.729224 0.270776 O\n0.270776 0.729224 0.729224 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 6.887132917722102,
"density_atomic": 0.08092275149978727,
"volume": 296.57913942858323,
"volume_molar": 7.441838850494143,
"formula_full": "Sb8 O16",
"formula_reduced": "SbO2",
"formula_anonymous": "AB2",
"energy": -148.14385105,
"energy_per_atom": -6.172660460416666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.15185105,
"band_gap": 0.4339999999999993,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003434,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:36.679000Z",
"spacegroup": 227
},
{
"id": "mp-1202625",
"created_at": "2022-09-04T14:48:21.049465Z",
"structure_string": "Ba2 Nd2 Al3 B12 O27\n1.0\n2.337053 -4.047895 0.000000\n2.337053 4.047895 0.000000\n0.000000 0.000000 26.077089\nBa Nd Al B O\n2 2 3 12 27\ndirect\n0.000000 0.000000 0.149061 Ba\n0.000000 0.000000 0.850939 Ba\n0.000000 0.000000 0.300564 Nd\n0.000000 0.000000 0.699436 Nd\n0.373515 0.373515 0.500000 Al\n0.626485 0.000000 0.500000 Al\n0.000000 0.626485 0.500000 Al\n0.666667 0.333333 0.772612 B\n0.666667 0.333333 0.227388 B\n0.333333 0.666667 0.772612 B\n0.333333 0.666667 0.227388 B\n0.666667 0.333333 0.610942 B\n0.666667 0.333333 0.389058 B\n0.333333 0.666667 0.610942 B\n0.333333 0.666667 0.389058 B\n0.666667 0.333333 0.944311 B\n0.666667 0.333333 0.055689 B\n0.333333 0.666667 0.944311 B\n0.333333 0.666667 0.055689 B\n0.666667 0.333333 0.824420 O\n0.666667 0.333333 0.175580 O\n0.333333 0.666667 0.824420 O\n0.333333 0.666667 0.175580 O\n0.582972 0.582972 0.745871 O\n0.417028 0.000000 0.745871 O\n0.000000 0.417028 0.745871 O\n0.582972 0.582972 0.254129 O\n0.417028 0.000000 0.254129 O\n0.000000 0.417028 0.254129 O\n0.666667 0.333333 0.544671 O\n0.666667 0.333333 0.455329 O\n0.333333 0.666667 0.544671 O\n0.333333 0.666667 0.455329 O\n0.578304 0.578304 0.943297 O\n0.421696 0.000000 0.943297 O\n0.000000 0.421696 0.943297 O\n0.578304 0.578304 0.056703 O\n0.421696 0.000000 0.056703 O\n0.000000 0.421696 0.056703 O\n0.589024 0.589024 0.624635 O\n0.410976 0.000000 0.624635 O\n0.000000 0.410976 0.624635 O\n0.589024 0.589024 0.375365 O\n0.410976 0.000000 0.375365 O\n0.000000 0.410976 0.375365 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Ba",
"Nd",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-Ba-Nd-O",
"density": 4.058232283526988,
"density_atomic": 0.09323327215177338,
"volume": 493.38609423808623,
"volume_molar": 6.459218496800827,
"formula_full": "Ba2 Nd2 Al3 B12 O27",
"formula_reduced": "Ba2Nd2Al3(B4O9)3",
"formula_anonymous": "A2B2C3D12E27",
"energy": -371.07744425,
"energy_per_atom": -8.066900961956522,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -352.52844425,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0189361,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:50.525000Z",
"spacegroup": 189
},
{
"id": "mp-646110",
"created_at": "2022-09-04T14:48:19.731294Z",
"structure_string": "Y56 In12 Rh12\n1.0\n9.710123 0.000000 0.000000\n0.000000 9.710123 0.000000\n0.000000 0.000000 23.623471\nY In Rh\n56 12 12\ndirect\n0.798532 0.000000 0.556473 Y\n0.201468 0.000000 0.556473 Y\n0.687953 0.815110 0.854564 Y\n0.500000 0.191627 0.216288 Y\n0.298532 0.500000 0.943527 Y\n0.000000 0.798532 0.443527 Y\n0.000000 0.500000 0.534513 Y\n0.500000 0.500000 0.396067 Y\n0.310602 0.500000 0.266467 Y\n0.312047 0.184890 0.854564 Y\n0.500000 0.500000 0.603933 Y\n0.311502 0.311502 0.500000 Y\n0.500000 0.000000 0.965487 Y\n0.000000 0.000000 0.896067 Y\n0.815110 0.312047 0.145436 Y\n0.000000 0.691627 0.283712 Y\n0.188498 0.188498 0.000000 Y\n0.691627 0.000000 0.716288 Y\n0.500000 0.701468 0.056473 Y\n0.000000 0.810602 0.766467 Y\n0.188498 0.811502 0.000000 Y\n0.187953 0.315110 0.645436 Y\n0.315110 0.187953 0.354564 Y\n0.000000 0.500000 0.034513 Y\n0.701468 0.500000 0.943527 Y\n0.311502 0.688498 0.500000 Y\n0.000000 0.201468 0.443527 Y\n0.687953 0.184890 0.854564 Y\n0.812047 0.315110 0.645436 Y\n0.184890 0.312047 0.145436 Y\n0.812047 0.684890 0.645436 Y\n0.500000 0.689398 0.733533 Y\n0.500000 0.298532 0.056473 Y\n0.187953 0.684890 0.645436 Y\n0.689398 0.500000 0.266467 Y\n0.684890 0.187953 0.354564 Y\n0.815110 0.687953 0.145436 Y\n0.808373 0.500000 0.783712 Y\n0.688498 0.688498 0.500000 Y\n0.810602 0.000000 0.233533 Y\n0.191627 0.500000 0.783712 Y\n0.811502 0.188498 0.000000 Y\n0.000000 0.189398 0.766467 Y\n0.315110 0.812047 0.354564 Y\n0.184890 0.687953 0.145436 Y\n0.500000 0.808373 0.216288 Y\n0.811502 0.811502 0.000000 Y\n0.000000 0.308373 0.283712 Y\n0.189398 0.000000 0.233533 Y\n0.500000 0.000000 0.465487 Y\n0.684890 0.812047 0.354564 Y\n0.500000 0.310602 0.733533 Y\n0.312047 0.815110 0.854564 Y\n0.000000 0.000000 0.103933 Y\n0.688498 0.311502 0.500000 Y\n0.308373 0.000000 0.716288 Y\n0.660669 0.000000 0.104781 In\n0.000000 0.000000 0.659071 In\n0.839331 0.500000 0.395219 In\n0.160669 0.500000 0.395219 In\n0.000000 0.660669 0.895219 In\n0.339331 0.000000 0.104781 In\n0.500000 0.500000 0.840929 In\n0.500000 0.500000 0.159071 In\n0.500000 0.160669 0.604781 In\n0.000000 0.000000 0.340929 In\n0.500000 0.839331 0.604781 In\n0.000000 0.339331 0.895219 In\n0.000000 0.500000 0.198957 Rh\n0.500000 0.000000 0.801043 Rh\n0.000000 0.781245 0.560939 Rh\n0.218755 0.000000 0.439061 Rh\n0.718755 0.500000 0.060939 Rh\n0.281245 0.500000 0.060939 Rh\n0.000000 0.218755 0.560939 Rh\n0.500000 0.718755 0.939061 Rh\n0.000000 0.500000 0.698957 Rh\n0.500000 0.281245 0.939061 Rh\n0.500000 0.000000 0.301043 Rh\n0.781245 0.000000 0.439061 Rh\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Y",
"In",
"Rh"
],
"chemical_system": "In-Rh-Y",
"density": 5.659503734210683,
"density_atomic": 0.03591673212410036,
"volume": 2227.374130908738,
"volume_molar": 16.76695067689386,
"formula_full": "Y56 In12 Rh12",
"formula_reduced": "Y14(InRh)3",
"formula_anonymous": "A3B3C14",
"energy": -523.85254225,
"energy_per_atom": -6.5481567781250005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -523.85254225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3212215,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:52.041000Z",
"spacegroup": 137
},
{
"id": "mp-489",
"created_at": "2022-09-04T14:48:14.183169Z",
"structure_string": "Ge12 Ir3\n1.0\n3.149632 -5.455323 0.000000\n3.149632 5.455323 0.000000\n0.000000 0.000000 7.894168\nGe Ir\n12 3\ndirect\n0.000000 0.618283 0.666667 Ge\n0.000000 0.079210 0.666667 Ge\n0.778630 0.265429 0.885917 Ge\n0.381717 0.381717 0.000000 Ge\n0.221370 0.486800 0.447416 Ge\n0.486800 0.221370 0.552584 Ge\n0.513200 0.734571 0.780749 Ge\n0.618283 0.000000 0.333333 Ge\n0.920790 0.920790 0.000000 Ge\n0.079210 0.000000 0.333333 Ge\n0.265429 0.778630 0.114083 Ge\n0.734571 0.513200 0.219251 Ge\n0.682413 0.682413 0.500000 Ir\n0.000000 0.317587 0.166667 Ir\n0.317587 0.000000 0.833333 Ir\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir",
"density": 8.865439693482168,
"density_atomic": 0.055293567995048365,
"volume": 271.2792924005786,
"volume_molar": 10.891213894063217,
"formula_full": "Ge12 Ir3",
"formula_reduced": "Ge4Ir",
"formula_anonymous": "AB4",
"energy": -84.6221775,
"energy_per_atom": -5.641478500000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.6221775,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025378,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:41.535000Z",
"spacegroup": 152
},
{
"id": "mp-570271",
"created_at": "2022-09-04T14:48:19.028316Z",
"structure_string": "Ti8 Fe2 Bi4\n1.0\n-5.282687 5.282687 2.483429\n5.282687 -5.282687 2.483429\n5.282687 5.282687 -2.483429\nTi Fe Bi\n8 2 4\ndirect\n0.579714 0.690876 0.270590 Ti\n0.920286 0.190876 0.111163 Ti\n0.309124 0.579714 0.888837 Ti\n0.809124 0.920286 0.729410 Ti\n0.690876 0.420286 0.111163 Ti\n0.079714 0.809124 0.888837 Ti\n0.420286 0.309124 0.729410 Ti\n0.190876 0.079714 0.270590 Ti\n0.750000 0.750000 0.000000 Fe\n0.250000 0.250000 0.000000 Fe\n0.360974 0.860974 0.221948 Bi\n0.139026 0.360974 0.500000 Bi\n0.639026 0.139026 0.778052 Bi\n0.860974 0.639026 0.500000 Bi\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Bi"
],
"chemical_system": "Bi-Fe-Ti",
"density": 7.969994376391319,
"density_atomic": 0.05050176274089922,
"volume": 277.2180462655811,
"volume_molar": 11.924614970168012,
"formula_full": "Ti8 Fe2 Bi4",
"formula_reduced": "Ti4FeBi2",
"formula_anonymous": "AB2C4",
"energy": -99.70127432,
"energy_per_atom": -7.121519594285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.70127432,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0296562,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:04.414000Z",
"spacegroup": 140
},
{
"id": "mp-8462",
"created_at": "2022-09-04T14:48:19.735066Z",
"structure_string": "Hf12 Al8\n1.0\n7.587947 0.000000 0.000000\n0.000000 7.587947 0.000000\n0.000000 0.000000 6.875618\nHf Al\n12 8\ndirect\n0.344859 0.344859 0.000000 Hf\n0.844859 0.155141 0.500000 Hf\n0.155141 0.844859 0.500000 Hf\n0.655141 0.655141 0.000000 Hf\n0.797867 0.202133 0.000000 Hf\n0.702133 0.702133 0.500000 Hf\n0.297867 0.297867 0.500000 Hf\n0.202133 0.797867 0.000000 Hf\n0.500000 0.000000 0.250000 Hf\n0.500000 0.000000 0.750000 Hf\n0.000000 0.500000 0.250000 Hf\n0.000000 0.500000 0.750000 Hf\n0.121232 0.121232 0.209997 Al\n0.621232 0.378768 0.709997 Al\n0.378768 0.621232 0.709997 Al\n0.878768 0.878768 0.209997 Al\n0.378768 0.621232 0.290003 Al\n0.621232 0.378768 0.290003 Al\n0.121232 0.121232 0.790003 Al\n0.878768 0.878768 0.790003 Al\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Hf",
"Al"
],
"chemical_system": "Al-Hf",
"density": 9.889703579493707,
"density_atomic": 0.05052073709019246,
"volume": 395.8770428130309,
"volume_molar": 11.920136377363091,
"formula_full": "Hf12 Al8",
"formula_reduced": "Hf3Al2",
"formula_anonymous": "A2B3",
"energy": -156.06213553,
"energy_per_atom": -7.8031067765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.06213553,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3136341,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:07.740000Z",
"spacegroup": 136
},
{
"id": "mp-29893",
"created_at": "2022-09-04T14:48:23.956669Z",
"structure_string": "Hg8 Mo4 O16\n1.0\n9.438288 0.000000 0.000000\n0.000000 5.289485 0.000000\n0.000000 1.807244 11.050336\nHg Mo O\n8 4 16\ndirect\n0.871899 0.335303 0.936462 Hg\n0.371899 0.664697 0.563538 Hg\n0.128101 0.664697 0.063538 Hg\n0.628101 0.335303 0.436462 Hg\n0.793586 0.550855 0.576466 Hg\n0.293586 0.449145 0.923534 Hg\n0.206414 0.449145 0.423534 Hg\n0.706414 0.550855 0.076466 Hg\n0.037367 0.968558 0.716590 Mo\n0.537367 0.031442 0.783410 Mo\n0.962633 0.031442 0.283410 Mo\n0.462633 0.968558 0.216590 Mo\n0.906833 0.711162 0.716479 O\n0.406833 0.288838 0.783521 O\n0.093167 0.288838 0.283521 O\n0.593167 0.711162 0.216479 O\n0.513522 0.787698 0.910148 O\n0.013522 0.212302 0.589852 O\n0.486478 0.212302 0.089852 O\n0.986478 0.787698 0.410148 O\n0.209681 0.835960 0.710577 O\n0.709681 0.164040 0.789423 O\n0.790319 0.164040 0.289423 O\n0.290319 0.835960 0.210577 O\n0.971593 0.898824 0.142333 O\n0.471593 0.101176 0.357667 O\n0.028407 0.101176 0.857667 O\n0.528407 0.898824 0.642333 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Hg",
"Mo",
"O"
],
"chemical_system": "Hg-Mo-O",
"density": 6.755863731580998,
"density_atomic": 0.05075466114895272,
"volume": 551.6734693159854,
"volume_molar": 11.86519744920859,
"formula_full": "Hg8 Mo4 O16",
"formula_reduced": "Hg2MoO4",
"formula_anonymous": "AB2C4",
"energy": -162.90674339,
"energy_per_atom": -5.818097978214285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.10674339,
"band_gap": 2.0451,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012851,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:30.541000Z",
"spacegroup": 14
},
{
"id": "mp-1071468",
"created_at": "2022-09-04T14:48:21.207818Z",
"structure_string": "Tb2 Mg2 Sn2\n1.0\n-2.208743 2.208743 7.984245\n2.208743 -2.208743 7.984245\n2.208743 2.208743 -7.984245\nTb Mg Sn\n2 2 2\ndirect\n0.666628 0.666628 0.000000 Tb\n0.333372 0.333372 0.000000 Tb\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.864245 0.864245 0.000000 Sn\n0.135755 0.135755 0.000000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn-Tb",
"density": 6.435999899659568,
"density_atomic": 0.03850942479912661,
"volume": 155.8060145353321,
"volume_molar": 15.638095846439601,
"formula_full": "Tb2 Mg2 Sn2",
"formula_reduced": "TbMgSn",
"formula_anonymous": "ABC",
"energy": -23.92553655,
"energy_per_atom": -3.987589425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.92553655,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0073859,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:30.696000Z",
"spacegroup": 139
},
{
"id": "mp-29326",
"created_at": "2022-09-04T14:48:19.745312Z",
"structure_string": "La3 Re2 O10\n1.0\n3.937038 3.971618 0.000000\n-3.937038 3.971618 0.000000\n0.000000 3.029212 6.564583\nLa Re O\n3 2 10\ndirect\n0.256924 0.743076 0.500000 La\n0.743076 0.256924 0.500000 La\n0.000000 0.000000 0.000000 La\n0.633322 0.633322 0.825335 Re\n0.366678 0.366678 0.174665 Re\n0.666526 0.666526 0.531213 O\n0.333474 0.333474 0.468787 O\n0.129455 0.604908 0.212528 O\n0.395092 0.870545 0.787472 O\n0.870545 0.395092 0.787472 O\n0.351048 0.351048 0.907355 O\n0.648952 0.648952 0.092645 O\n0.095164 0.095164 0.281587 O\n0.904836 0.904836 0.718413 O\n0.604908 0.129455 0.212528 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"La",
"Re",
"O"
],
"chemical_system": "La-O-Re",
"density": 7.677114608581596,
"density_atomic": 0.07306628772645468,
"volume": 205.29303549890133,
"volume_molar": 8.242023712147072,
"formula_full": "La3 Re2 O10",
"formula_reduced": "La3(ReO5)2",
"formula_anonymous": "A2B3C10",
"energy": -135.16555099,
"energy_per_atom": -9.011036732666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.29555099,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0003644,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:47.577000Z",
"spacegroup": 12
},
{
"id": "mp-1025218",
"created_at": "2022-09-04T14:48:15.635157Z",
"structure_string": "Si1 Pt5 Pb1\n1.0\n4.030601 0.000000 0.000000\n0.000000 4.030601 0.000000\n0.000000 0.000000 7.299561\nSi Pt Pb\n1 5 1\ndirect\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.696929 Pt\n0.000000 0.500000 0.696929 Pt\n0.500000 0.000000 0.303071 Pt\n0.000000 0.500000 0.303071 Pt\n0.500000 0.500000 0.000000 Pb\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Si",
"Pt",
"Pb"
],
"chemical_system": "Pb-Pt-Si",
"density": 16.953183156380714,
"density_atomic": 0.05902849101878797,
"volume": 118.58680239296639,
"volume_molar": 10.202091661267836,
"formula_full": "Si1 Pt5 Pb1",
"formula_reduced": "SiPt5Pb",
"formula_anonymous": "ABC5",
"energy": -42.0841764,
"energy_per_atom": -6.012025199999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.0841764,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043408,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:38.464000Z",
"spacegroup": 123
}
]
}