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=-decomposes_to&page=10205",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=10203",
"results": [
{
"id": "mp-756755",
"created_at": "2022-09-04T14:43:59.119600Z",
"structure_string": "Li3 Nb3 Te1 O12\n1.0\n5.208240 0.000000 0.000000\n-0.000865 5.508543 0.000000\n-0.030398 -0.623010 7.615035\nLi Nb Te O\n3 3 1 12\ndirect\n0.498295 0.007505 0.249340 Li\n0.000409 0.508552 0.745417 Li\n0.997983 0.499548 0.251493 Li\n0.508675 0.582482 0.967037 Nb\n0.496467 0.567289 0.474818 Nb\n0.999243 0.065051 0.465689 Nb\n0.001137 0.081715 0.958917 Te\n0.817196 0.785568 0.887113 O\n0.684182 0.906850 0.490753 O\n0.618570 0.604782 0.201230 O\n0.306553 0.284727 0.383809 O\n0.823400 0.413580 0.506060 O\n0.870266 0.109397 0.196048 O\n0.184400 0.394692 0.011755 O\n0.714508 0.294340 0.891012 O\n0.108489 0.101386 0.712460 O\n0.305276 0.905831 0.020622 O\n0.371462 0.590035 0.706511 O\n0.193491 0.783467 0.386520 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Nb",
"Te",
"O"
],
"chemical_system": "Li-Nb-O-Te",
"density": 4.70581418608667,
"density_atomic": 0.08696689499504431,
"volume": 218.4739377102366,
"volume_molar": 6.924635817276406,
"formula_full": "Li3 Nb3 Te1 O12",
"formula_reduced": "Li3Nb3TeO12",
"formula_anonymous": "AB3C3D12",
"energy": -147.58355329,
"energy_per_atom": -7.7675554363157895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.33955329,
"band_gap": 1.9083,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.858000Z",
"spacegroup": 1
},
{
"id": "mp-1018716",
"created_at": "2022-09-04T14:43:59.121960Z",
"structure_string": "Hf2 N4\n1.0\n1.628458 -2.820572 0.000000\n1.628458 2.820572 0.000000\n0.000000 0.000000 7.606699\nHf N\n2 4\ndirect\n0.666667 0.333333 0.250000 Hf\n0.333333 0.666667 0.750000 Hf\n0.000000 0.000000 0.405925 N\n0.000000 0.000000 0.594075 N\n0.000000 0.000000 0.905925 N\n0.000000 0.000000 0.094075 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"N"
],
"chemical_system": "Hf-N",
"density": 9.814457986737807,
"density_atomic": 0.08586403056753504,
"volume": 69.877921643578,
"volume_molar": 7.013578002564621,
"formula_full": "Hf2 N4",
"formula_reduced": "HfN2",
"formula_anonymous": "AB2",
"energy": -59.24701895000001,
"energy_per_atom": -9.874503158333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.80301895,
"band_gap": 0.5762,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.8e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.812000Z",
"spacegroup": 194
},
{
"id": "mp-1203965",
"created_at": "2022-09-04T14:43:58.993630Z",
"structure_string": "K4 Eu4 H8 S8 O36\n1.0\n10.494996 0.000000 0.000000\n0.000000 8.703091 0.000000\n-5.242841 0.000000 9.413093\nK Eu H S O\n4 4 8 8 36\ndirect\n0.287948 0.681947 0.808477 K\n0.712052 0.181947 0.691523 K\n0.712052 0.318053 0.191523 K\n0.287948 0.818053 0.308477 K\n0.757294 0.647216 0.533838 Eu\n0.242706 0.147216 0.966162 Eu\n0.242706 0.352784 0.466162 Eu\n0.757294 0.852784 0.033838 Eu\n0.910068 0.972982 0.611456 H\n0.089932 0.472982 0.888544 H\n0.089932 0.027018 0.388544 H\n0.910068 0.527018 0.111456 H\n0.785612 0.973001 0.454502 H\n0.214388 0.473001 0.045498 H\n0.214388 0.026999 0.545498 H\n0.785612 0.526999 0.954502 H\n0.551372 0.633252 0.679265 S\n0.448628 0.133252 0.820735 S\n0.448628 0.366748 0.320735 S\n0.551372 0.866748 0.179265 S\n0.991380 0.691705 0.393834 S\n0.008620 0.191705 0.106166 S\n0.008620 0.308295 0.606166 S\n0.991380 0.808295 0.893834 S\n0.574109 0.710994 0.811059 O\n0.425891 0.210994 0.688941 O\n0.425891 0.289006 0.188941 O\n0.574109 0.789006 0.311059 O\n0.405333 0.557340 0.613955 O\n0.594667 0.057340 0.886045 O\n0.594667 0.442660 0.386045 O\n0.405333 0.942660 0.113955 O\n0.555319 0.745890 0.575679 O\n0.444681 0.245890 0.924321 O\n0.444681 0.254110 0.424321 O\n0.555319 0.754110 0.075679 O\n0.670004 0.518986 0.710225 O\n0.329996 0.018986 0.789775 O\n0.329996 0.481014 0.289775 O\n0.670004 0.981014 0.210225 O\n0.955239 0.813446 0.282517 O\n0.044761 0.313446 0.217483 O\n0.044761 0.186554 0.717483 O\n0.955239 0.686554 0.782517 O\n0.093321 0.582505 0.379631 O\n0.906679 0.082505 0.120369 O\n0.906679 0.417495 0.620369 O\n0.093321 0.917495 0.879631 O\n0.853155 0.610411 0.364780 O\n0.146845 0.110411 0.135220 O\n0.146845 0.389589 0.635220 O\n0.853155 0.889589 0.864780 O\n0.057661 0.761271 0.536303 O\n0.942339 0.261271 0.963697 O\n0.942339 0.238729 0.463697 O\n0.057661 0.738729 0.036303 O\n0.810779 0.935097 0.549448 O\n0.189221 0.435097 0.950552 O\n0.189221 0.064903 0.450552 O\n0.810779 0.564903 0.049448 O\n",
"nsites": 60,
"nelements": 5,
"elements": [
"K",
"Eu",
"H",
"S",
"O"
],
"chemical_system": "Eu-H-K-O-S",
"density": 3.0994516862340706,
"density_atomic": 0.0697851632774252,
"volume": 859.7816094729894,
"volume_molar": 8.629543125176152,
"formula_full": "K4 Eu4 H8 S8 O36",
"formula_reduced": "KEuH2S2O9",
"formula_anonymous": "ABC2D2E9",
"energy": -413.17070186,
"energy_per_atom": -6.886178364333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -388.43870186,
"band_gap": 0.1962999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 23.3419071,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.668000Z",
"spacegroup": 14
},
{
"id": "mp-1178361",
"created_at": "2022-09-04T14:43:58.997560Z",
"structure_string": "Dy2 Cl2 O2\n1.0\n3.793913 0.000000 0.000000\n0.000000 4.190825 0.000000\n0.000000 0.000000 9.471542\nDy Cl O\n2 2 2\ndirect\n0.500000 0.000000 0.112557 Dy\n0.000000 0.500000 0.887443 Dy\n0.000000 0.000000 0.313938 Cl\n0.500000 0.500000 0.686062 Cl\n0.000000 0.000000 0.973365 O\n0.500000 0.500000 0.026635 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Cl",
"O"
],
"chemical_system": "Cl-Dy-O",
"density": 4.718333915768068,
"density_atomic": 0.03984223266940224,
"volume": 150.5939702171319,
"volume_molar": 15.114968104246936,
"formula_full": "Dy2 Cl2 O2",
"formula_reduced": "DyClO",
"formula_anonymous": "ABC",
"energy": -43.84285925,
"energy_per_atom": -7.307143208333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.24085925,
"band_gap": 5.1946,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004904,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.347000Z",
"spacegroup": 59
},
{
"id": "mp-555746",
"created_at": "2022-09-04T14:43:58.998403Z",
"structure_string": "In1 Ag3 P2 O8\n1.0\n2.804973 4.420295 0.000000\n-2.804973 4.420295 0.000000\n0.000000 0.545150 7.437290\nIn Ag P O\n1 3 2 8\ndirect\n0.000000 0.000000 0.000000 In\n0.331664 0.331664 0.679306 Ag\n0.668336 0.668336 0.320694 Ag\n0.000000 0.000000 0.500000 Ag\n0.661314 0.661314 0.790503 P\n0.338686 0.338686 0.209497 P\n0.244059 0.244059 0.392912 O\n0.762639 0.762639 0.949579 O\n0.670264 0.220717 0.203381 O\n0.779283 0.329736 0.796619 O\n0.237361 0.237361 0.050421 O\n0.220717 0.670264 0.203381 O\n0.329736 0.779283 0.796619 O\n0.755941 0.755941 0.607088 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"In",
"Ag",
"P",
"O"
],
"chemical_system": "Ag-In-O-P",
"density": 5.657657555339186,
"density_atomic": 0.07591076788105208,
"volume": 184.42706339023226,
"volume_molar": 7.933183826353011,
"formula_full": "In1 Ag3 P2 O8",
"formula_reduced": "InAg3(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -87.66941272999999,
"energy_per_atom": -6.262100909285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.17341273,
"band_gap": 1.2216999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.5e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:06.736000Z",
"spacegroup": 12
},
{
"id": "mp-1210474",
"created_at": "2022-09-04T14:43:59.005517Z",
"structure_string": "Na20 Sn40 Hg8\n1.0\n11.041223 0.000000 0.000000\n0.000000 13.461464 0.000000\n0.000000 0.000000 13.519619\nNa Sn Hg\n20 40 8\ndirect\n0.762116 0.500000 0.750000 Na\n0.237884 0.500000 0.250000 Na\n0.737884 0.000000 0.250000 Na\n0.262116 0.000000 0.750000 Na\n0.542448 0.629690 0.595778 Na\n0.457552 0.370310 0.404222 Na\n0.957552 0.870310 0.095778 Na\n0.542448 0.370310 0.904222 Na\n0.042448 0.129690 0.904222 Na\n0.457552 0.629690 0.095778 Na\n0.957552 0.129690 0.404222 Na\n0.042448 0.870310 0.595778 Na\n0.945989 0.662194 0.892782 Na\n0.054011 0.337806 0.107218 Na\n0.554011 0.837806 0.392782 Na\n0.945989 0.337806 0.607218 Na\n0.445989 0.162194 0.607218 Na\n0.054011 0.662194 0.392782 Na\n0.554011 0.162194 0.107218 Na\n0.445989 0.837806 0.892782 Na\n0.562509 0.920617 0.665143 Sn\n0.437491 0.079383 0.334857 Sn\n0.937491 0.579383 0.165143 Sn\n0.562509 0.079383 0.834857 Sn\n0.062509 0.420617 0.834857 Sn\n0.437491 0.920617 0.165143 Sn\n0.937491 0.420617 0.334857 Sn\n0.062509 0.579383 0.665143 Sn\n0.856402 0.683961 0.570103 Sn\n0.143598 0.316039 0.429897 Sn\n0.643598 0.816039 0.070103 Sn\n0.856402 0.316039 0.929897 Sn\n0.356402 0.183961 0.929897 Sn\n0.143598 0.683961 0.070103 Sn\n0.643598 0.183961 0.429897 Sn\n0.356402 0.816039 0.570103 Sn\n0.906816 0.916802 0.827112 Sn\n0.093184 0.083198 0.172888 Sn\n0.593184 0.583198 0.327112 Sn\n0.906816 0.083198 0.672888 Sn\n0.406816 0.416802 0.672888 Sn\n0.093184 0.916802 0.327112 Sn\n0.593184 0.416802 0.172888 Sn\n0.406816 0.583198 0.827112 Sn\n0.734284 0.773297 0.745163 Sn\n0.265716 0.226703 0.254837 Sn\n0.765716 0.726703 0.245163 Sn\n0.734284 0.226703 0.754837 Sn\n0.234284 0.273297 0.754837 Sn\n0.265716 0.773297 0.245163 Sn\n0.765716 0.273297 0.254837 Sn\n0.234284 0.726703 0.745163 Sn\n0.740555 0.001221 0.524687 Sn\n0.259445 0.998779 0.475313 Sn\n0.759445 0.498779 0.024687 Sn\n0.740555 0.998779 0.975313 Sn\n0.240555 0.501221 0.975313 Sn\n0.259445 0.001221 0.024687 Sn\n0.759445 0.501221 0.475313 Sn\n0.240555 0.498779 0.524687 Sn\n0.636580 0.652115 0.906193 Hg\n0.363420 0.347885 0.093807 Hg\n0.863420 0.847885 0.406193 Hg\n0.636580 0.347885 0.593807 Hg\n0.136580 0.152115 0.593807 Hg\n0.363420 0.652115 0.406193 Hg\n0.863420 0.152115 0.093807 Hg\n0.136580 0.847885 0.906193 Hg\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Na",
"Sn",
"Hg"
],
"chemical_system": "Hg-Na-Sn",
"density": 5.629997011036827,
"density_atomic": 0.0338403607687698,
"volume": 2009.434842159102,
"volume_molar": 17.795734511074258,
"formula_full": "Na20 Sn40 Hg8",
"formula_reduced": "Na5(Sn5Hg)2",
"formula_anonymous": "A2B5C10",
"energy": -200.04340577,
"energy_per_atom": -2.941814790735294,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -200.04340577,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0258397,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.104000Z",
"spacegroup": 60
},
{
"id": "mp-1191741",
"created_at": "2022-09-04T14:43:59.008930Z",
"structure_string": "Ca4 Si4 O16\n1.0\n0.000000 5.844737 10.306797\n2.868220 0.000000 10.306797\n2.868220 5.844737 0.000000\nCa Si O\n4 4 16\ndirect\n0.474957 0.170033 0.363154 Ca\n0.991856 0.363154 0.170033 Ca\n0.886846 0.258144 0.775043 Ca\n0.079967 0.775043 0.258144 Ca\n0.093495 0.781944 0.727474 Si\n0.397087 0.727474 0.781944 Si\n0.522526 0.852913 0.156505 Si\n0.468056 0.156505 0.852913 Si\n0.485053 0.014947 0.014947 O\n0.235053 0.764947 0.764947 O\n0.310438 0.515188 0.467738 O\n0.706636 0.467738 0.515188 O\n0.782262 0.543364 0.939562 O\n0.734812 0.939562 0.543364 O\n0.912638 0.856441 0.011985 O\n0.218936 0.011985 0.856441 O\n0.238015 0.031064 0.337362 O\n0.393559 0.337362 0.031064 O\n0.907519 0.026878 0.668201 O\n0.397403 0.668201 0.026878 O\n0.581799 0.852597 0.342481 O\n0.223122 0.342481 0.852597 O\n0.043981 0.456019 0.456019 O\n0.793981 0.206019 0.206019 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-O-Si",
"density": 2.540279959190509,
"density_atomic": 0.06945125376228983,
"volume": 345.56611579892535,
"volume_molar": 8.671032463448284,
"formula_full": "Ca4 Si4 O16",
"formula_reduced": "CaSiO4",
"formula_anonymous": "ABC4",
"energy": -169.56100655999998,
"energy_per_atom": -7.0650419399999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -158.56900656,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0012688,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.477000Z",
"spacegroup": 43
},
{
"id": "mp-1181071",
"created_at": "2022-09-04T14:43:59.011734Z",
"structure_string": "K4 Mn2 S4 O24\n1.0\n4.451464 6.202684 0.000000\n-4.451464 6.202684 0.000000\n0.000000 0.473267 11.340817\nK Mn S O\n4 2 4 24\ndirect\n0.329158 0.329158 0.052320 K\n0.670842 0.670842 0.947680 K\n0.134769 0.134769 0.602629 K\n0.865231 0.865231 0.397371 K\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.410076 0.918050 0.256049 S\n0.918050 0.410076 0.256049 S\n0.589924 0.081950 0.743951 S\n0.081950 0.589924 0.743951 S\n0.492096 0.825618 0.144961 O\n0.825618 0.492096 0.144961 O\n0.507904 0.174382 0.855039 O\n0.174382 0.507904 0.855039 O\n0.528305 0.819939 0.355521 O\n0.819939 0.528305 0.355521 O\n0.471695 0.180061 0.644479 O\n0.180061 0.471695 0.644479 O\n0.218324 0.914729 0.274343 O\n0.914729 0.218324 0.274343 O\n0.781676 0.085271 0.725657 O\n0.085271 0.781676 0.725657 O\n0.411106 0.112260 0.251591 O\n0.112260 0.411106 0.251591 O\n0.588894 0.887740 0.748409 O\n0.887740 0.588894 0.748409 O\n0.230318 0.945643 0.960941 O\n0.945643 0.230318 0.960941 O\n0.769682 0.054357 0.039059 O\n0.054357 0.769682 0.039059 O\n0.581172 0.287332 0.434621 O\n0.287332 0.581172 0.434621 O\n0.418828 0.712668 0.565379 O\n0.712668 0.418828 0.565379 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"K",
"Mn",
"S",
"O"
],
"chemical_system": "K-Mn-O-S",
"density": 2.0642351112597304,
"density_atomic": 0.05429027694065475,
"volume": 626.2631527403286,
"volume_molar": 11.092484878245996,
"formula_full": "K4 Mn2 S4 O24",
"formula_reduced": "K2Mn(SO6)2",
"formula_anonymous": "AB2C2D12",
"energy": -201.3388323,
"energy_per_atom": -5.921730361764706,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.5148323,
"band_gap": 0.0329999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0004585,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.531000Z",
"spacegroup": 12
},
{
"id": "mp-1103732",
"created_at": "2022-09-04T14:43:59.013872Z",
"structure_string": "Yb2 H8 N4\n1.0\n-2.556508 2.556508 5.068271\n2.556508 -2.556508 5.068271\n2.556508 2.556508 -5.068271\nYb H N\n2 8 4\ndirect\n0.750000 0.250000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.896150 0.553423 0.342727 H\n0.210696 0.553423 0.657273 H\n0.539304 0.696577 0.842727 H\n0.853850 0.696577 0.157273 H\n0.446577 0.103850 0.657273 H\n0.446577 0.789304 0.342727 H\n0.303423 0.460696 0.157273 H\n0.303423 0.146150 0.842727 H\n0.990417 0.490417 0.500000 N\n0.759583 0.759583 0.000000 N\n0.509583 0.009583 0.500000 N\n0.240417 0.240417 0.000000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"H",
"N"
],
"chemical_system": "H-N-Yb",
"density": 5.140427011056216,
"density_atomic": 0.10566080220747877,
"volume": 132.4994672339244,
"volume_molar": 5.699503159340719,
"formula_full": "Yb2 H8 N4",
"formula_reduced": "Yb(H2N)2",
"formula_anonymous": "AB2C4",
"energy": -73.99872603,
"energy_per_atom": -5.285623287857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.55472603,
"band_gap": 2.6181,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.8e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.602000Z",
"spacegroup": 141
},
{
"id": "mp-1048103",
"created_at": "2022-09-04T14:43:59.019386Z",
"structure_string": "Ba2 Mn3 Al1 O8\n1.0\n3.880104 0.000000 0.000000\n0.000000 3.880104 0.000000\n0.000000 0.000000 11.806242\nBa Mn Al O\n2 3 1 8\ndirect\n0.500000 0.500000 0.167710 Ba\n0.500000 0.500000 0.832290 Ba\n0.000000 0.000000 0.353073 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.646927 Mn\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.395647 O\n0.500000 0.000000 0.395647 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.180165 O\n0.000000 0.500000 0.604353 O\n0.500000 0.000000 0.604353 O\n0.000000 0.000000 0.819835 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Ba-Mn-O",
"density": 5.553442377075837,
"density_atomic": 0.07876433706770539,
"volume": 177.74541780204,
"volume_molar": 7.645770896063534,
"formula_full": "Ba2 Mn3 Al1 O8",
"formula_reduced": "Ba2Mn3AlO8",
"formula_anonymous": "AB2C3D8",
"energy": -107.42421207,
"energy_per_atom": -7.6731580049999994,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.92421207,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9999816,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.142000Z",
"spacegroup": 123
},
{
"id": "mp-17159",
"created_at": "2022-09-04T14:43:59.019868Z",
"structure_string": "Li12 Cr6 O24\n1.0\n5.182497 -7.098840 0.000000\n5.182497 7.098840 0.000000\n-4.541298 0.000000 7.525186\nLi Cr O\n12 6 24\ndirect\n0.395883 0.223579 0.622605 Li\n0.622605 0.395883 0.223579 Li\n0.223579 0.622605 0.395883 Li\n0.604117 0.776421 0.377395 Li\n0.377395 0.604117 0.776421 Li\n0.776421 0.377395 0.604117 Li\n0.060979 0.887709 0.294800 Li\n0.294800 0.060979 0.887709 Li\n0.887709 0.294800 0.060979 Li\n0.939021 0.112291 0.705200 Li\n0.705200 0.939021 0.112291 Li\n0.112291 0.705200 0.939021 Li\n0.734331 0.552332 0.959467 Cr\n0.959467 0.734331 0.552332 Cr\n0.552332 0.959467 0.734331 Cr\n0.265669 0.447668 0.040533 Cr\n0.040533 0.265669 0.447668 Cr\n0.447668 0.040533 0.265669 Cr\n0.863968 0.535835 0.857064 O\n0.857064 0.863968 0.535835 O\n0.535835 0.857064 0.863968 O\n0.136032 0.464165 0.142936 O\n0.142936 0.136032 0.464165 O\n0.464165 0.142936 0.136032 O\n0.741420 0.429465 0.070754 O\n0.070754 0.741420 0.429465 O\n0.429465 0.070754 0.741420 O\n0.258580 0.570535 0.929246 O\n0.929246 0.258580 0.570535 O\n0.570535 0.929246 0.258580 O\n0.527038 0.475485 0.807265 O\n0.807265 0.527038 0.475485 O\n0.475485 0.807265 0.527038 O\n0.472962 0.524515 0.192735 O\n0.192735 0.472962 0.524515 O\n0.524515 0.192735 0.472962 O\n0.809997 0.764604 0.100857 O\n0.100857 0.809997 0.764605 O\n0.764604 0.100857 0.809997 O\n0.190003 0.235395 0.899143 O\n0.899143 0.190003 0.235396 O\n0.235396 0.899143 0.190003 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 2.336977695943307,
"density_atomic": 0.07585349722827466,
"volume": 553.6989266770993,
"volume_molar": 7.939173512167645,
"formula_full": "Li12 Cr6 O24",
"formula_reduced": "Li2CrO4",
"formula_anonymous": "AB2C4",
"energy": -287.28393856,
"energy_per_atom": -6.8400937752380955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -258.80193856,
"band_gap": 2.6021,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018352,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.898000Z",
"spacegroup": 148
},
{
"id": "mp-1218953",
"created_at": "2022-09-04T14:43:59.023158Z",
"structure_string": "Sn1 Ge4 Te4 Se1\n1.0\n18.209239 -2.111391 0.000000\n18.209239 2.111391 0.000000\n17.964419 0.000000 3.648833\nSn Ge Te Se\n1 4 4 1\ndirect\n0.407557 0.407557 0.407557 Sn\n0.803153 0.803153 0.803153 Ge\n0.202686 0.202686 0.202686 Ge\n0.602410 0.602410 0.602410 Ge\n0.001987 0.001987 0.001987 Ge\n0.496690 0.496690 0.496690 Te\n0.896348 0.896348 0.896348 Te\n0.296001 0.296001 0.296001 Te\n0.695605 0.695605 0.695605 Te\n0.101041 0.101041 0.101041 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sn",
"Ge",
"Te",
"Se"
],
"chemical_system": "Ge-Se-Sn-Te",
"density": 5.910296400961628,
"density_atomic": 0.035641465680194245,
"volume": 280.5720755068987,
"volume_molar": 16.896445320278925,
"formula_full": "Sn1 Ge4 Te4 Se1",
"formula_reduced": "SnGe4Te4Se",
"formula_anonymous": "ABC4D4",
"energy": -42.43446988,
"energy_per_atom": -4.2434469880000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.27446988,
"band_gap": 0.6132999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000272,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.648000Z",
"spacegroup": 160
}
]
}