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=77",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=75",
"results": [
{
"id": "mp-1120823",
"created_at": "2022-09-04T14:39:08.307005Z",
"structure_string": "V16 Bi12\n1.0\n2.113569 -6.940265 0.000000\n2.113569 6.940265 0.000000\n0.000000 0.000000 20.394288\nV Bi\n16 12\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.101155 0.898845 0.750000 V\n0.898845 0.101155 0.250000 V\n0.706096 0.293904 0.169328 V\n0.293904 0.706096 0.830672 V\n0.293904 0.706096 0.669328 V\n0.706096 0.293904 0.330672 V\n0.539695 0.460305 0.094797 V\n0.460305 0.539695 0.905203 V\n0.460305 0.539695 0.594797 V\n0.539695 0.460305 0.405203 V\n0.601450 0.398550 0.983729 V\n0.398550 0.601450 0.016271 V\n0.398550 0.601450 0.483729 V\n0.601450 0.398550 0.516271 V\n0.462766 0.537234 0.750000 Bi\n0.537234 0.462766 0.250000 Bi\n0.735439 0.264561 0.750000 Bi\n0.264561 0.735439 0.250000 Bi\n0.899209 0.100791 0.116445 Bi\n0.100791 0.899209 0.883555 Bi\n0.100791 0.899209 0.616445 Bi\n0.899209 0.100791 0.383555 Bi\n0.815987 0.184013 0.928902 Bi\n0.184013 0.815987 0.071098 Bi\n0.184013 0.815987 0.428902 Bi\n0.815987 0.184013 0.571098 Bi\n",
"nsites": 28,
"nelements": 2,
"elements": [
"V",
"Bi"
],
"chemical_system": "Bi-V",
"density": 9.222019494496124,
"density_atomic": 0.046797968832530054,
"volume": 598.3165658364371,
"volume_molar": 12.868380637524396,
"formula_full": "V16 Bi12",
"formula_reduced": "V4Bi3",
"formula_anonymous": "A3B4",
"energy": -184.29936268,
"energy_per_atom": -6.582120095714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.29936268,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.1985603,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.655000Z",
"spacegroup": 63
},
{
"id": "mp-1204090",
"created_at": "2022-09-04T14:39:08.309230Z",
"structure_string": "P12 H34 S12 N14 O14\n1.0\n11.621424 0.000000 0.000000\n3.439594 11.136294 0.000000\n5.522898 4.272220 9.418149\nP H S N O\n12 34 12 14 14\ndirect\n0.120664 0.784709 0.168404 P\n0.879336 0.215291 0.831596 P\n0.858988 0.773765 0.188243 P\n0.141012 0.226235 0.811757 P\n0.097846 0.779722 0.929367 P\n0.902154 0.220278 0.070633 P\n0.111113 0.054906 0.707158 P\n0.888887 0.945094 0.292842 P\n0.851040 0.941149 0.901986 P\n0.148960 0.058851 0.098014 P\n0.278667 0.956413 0.872105 P\n0.721333 0.043587 0.127895 P\n0.349479 0.767230 0.045221 H\n0.650521 0.232770 0.954779 H\n0.958760 0.755851 0.848704 H\n0.041240 0.244149 0.151296 H\n0.234136 0.243294 0.575131 H\n0.765864 0.756706 0.424869 H\n0.336453 0.317430 0.351770 H\n0.663547 0.682570 0.648230 H\n0.360852 0.394612 0.417255 H\n0.639148 0.605388 0.582745 H\n0.282041 0.446786 0.164385 H\n0.717959 0.553214 0.835615 H\n0.312894 0.305181 0.172779 H\n0.687106 0.694819 0.827221 H\n0.466572 0.623261 0.166290 H\n0.533428 0.376739 0.833710 H\n0.512468 0.631315 0.010437 H\n0.487532 0.368685 0.989563 H\n0.440324 0.581630 0.388347 H\n0.559676 0.418370 0.611653 H\n0.533139 0.460263 0.365490 H\n0.466861 0.539737 0.634510 H\n0.020797 0.694946 0.686142 H\n0.979203 0.305054 0.313858 H\n0.969086 0.576464 0.835826 H\n0.030914 0.423536 0.164174 H\n0.462017 0.747670 0.429613 H\n0.537983 0.252330 0.570387 H\n0.315711 0.712644 0.499675 H\n0.684289 0.287356 0.500325 H\n0.141695 0.733367 0.450898 H\n0.858305 0.266633 0.549102 H\n0.133261 0.852748 0.482644 H\n0.866739 0.147252 0.517356 H\n0.786119 0.616682 0.249578 S\n0.213881 0.383318 0.750422 S\n0.135746 0.629632 0.330837 S\n0.864254 0.370368 0.669163 S\n0.206659 0.626307 0.907411 S\n0.793341 0.373693 0.092589 S\n0.155351 0.041546 0.534368 S\n0.844649 0.958454 0.465632 S\n0.715028 0.957510 0.846202 S\n0.284972 0.042490 0.153798 S\n0.452295 0.981693 0.730322 S\n0.547705 0.018307 0.269678 S\n0.167719 0.927127 0.830845 N\n0.832281 0.072873 0.169155 N\n0.260876 0.828757 0.028745 N\n0.739124 0.171243 0.971255 N\n0.026696 0.774664 0.097350 N\n0.973304 0.225336 0.902650 N\n0.967311 0.817374 0.889631 N\n0.032689 0.182626 0.110369 N\n0.164168 0.184437 0.685392 N\n0.835832 0.815563 0.314608 N\n0.194203 0.082450 0.925810 N\n0.805797 0.917550 0.074190 N\n0.054004 0.927307 0.192496 N\n0.945996 0.072693 0.807504 N\n0.333187 0.310038 0.441124 O\n0.666813 0.689962 0.558876 O\n0.347370 0.370757 0.174706 O\n0.652630 0.629243 0.825294 O\n0.466103 0.680822 0.069934 O\n0.533897 0.319178 0.930066 O\n0.462273 0.523311 0.339286 O\n0.537727 0.476689 0.660714 O\n0.949626 0.670237 0.783160 O\n0.050374 0.329763 0.216840 O\n0.407811 0.673993 0.481192 O\n0.592189 0.326007 0.518808 O\n0.148004 0.756670 0.518531 O\n0.851996 0.243330 0.481469 O\n",
"nsites": 86,
"nelements": 5,
"elements": [
"P",
"H",
"S",
"N",
"O"
],
"chemical_system": "H-N-O-P-S",
"density": 1.6495416014517346,
"density_atomic": 0.07055582266958303,
"volume": 1218.8930232270543,
"volume_molar": 8.535285299134037,
"formula_full": "P12 H34 S12 N14 O14",
"formula_reduced": "P6H17S6(NO)7",
"formula_anonymous": "A6B6C7D7E17",
"energy": -490.89139397,
"energy_per_atom": -5.708039464767442,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -470.18339397,
"band_gap": 3.6639,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000679,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.008000Z",
"spacegroup": 2
},
{
"id": "mp-752398",
"created_at": "2022-09-04T14:39:08.316302Z",
"structure_string": "Ba1 Cu1 O2\n1.0\n4.024772 0.000000 0.000000\n0.000000 4.024772 0.000000\n0.000000 0.000000 3.877339\nBa Cu O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-O",
"density": 6.156723618315564,
"density_atomic": 0.06368595297966648,
"volume": 62.80819887043398,
"volume_molar": 9.455995361995662,
"formula_full": "Ba1 Cu1 O2",
"formula_reduced": "BaCuO2",
"formula_anonymous": "ABC2",
"energy": -23.57266998,
"energy_per_atom": -5.893167495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.19866998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004168,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.521000Z",
"spacegroup": 123
},
{
"id": "mp-1211021",
"created_at": "2022-09-04T14:39:08.319484Z",
"structure_string": "Mg8 Be12 N8 F48\n1.0\n10.067019 0.000000 0.000000\n0.000000 10.067019 0.000000\n0.000000 0.000000 10.067019\nMg Be N F\n8 12 8 48\ndirect\n0.335588 0.335588 0.335588 Mg\n0.164412 0.664412 0.835588 Mg\n0.664412 0.835588 0.164412 Mg\n0.835588 0.164412 0.664412 Mg\n0.601697 0.601697 0.601697 Mg\n0.898303 0.398303 0.101697 Mg\n0.398303 0.101697 0.898303 Mg\n0.101697 0.898303 0.398303 Mg\n0.017624 0.218097 0.375309 Be\n0.482376 0.781903 0.875309 Be\n0.982376 0.718097 0.124691 Be\n0.375309 0.017624 0.218097 Be\n0.517624 0.281903 0.624691 Be\n0.875309 0.482376 0.781903 Be\n0.124691 0.982376 0.718097 Be\n0.624691 0.517624 0.281903 Be\n0.218097 0.375309 0.017624 Be\n0.718097 0.124691 0.982376 Be\n0.281903 0.624691 0.517624 Be\n0.781903 0.875309 0.482376 Be\n0.049229 0.049229 0.049229 N\n0.450771 0.950771 0.549229 N\n0.950771 0.549229 0.450771 N\n0.549229 0.450771 0.950771 N\n0.816515 0.816515 0.816515 N\n0.683485 0.183485 0.316515 N\n0.183485 0.316515 0.683485 N\n0.316515 0.683485 0.183485 N\n0.013811 0.067589 0.333806 F\n0.486189 0.932411 0.833806 F\n0.986189 0.567589 0.166194 F\n0.333806 0.013811 0.067589 F\n0.513811 0.432411 0.666194 F\n0.833806 0.486189 0.932411 F\n0.166194 0.986189 0.567589 F\n0.666194 0.513811 0.432411 F\n0.067589 0.333806 0.013811 F\n0.567589 0.166194 0.986189 F\n0.432411 0.666194 0.513811 F\n0.932411 0.833806 0.486189 F\n0.271005 0.494100 0.436255 F\n0.228995 0.505900 0.936255 F\n0.728995 0.994100 0.063745 F\n0.436255 0.271005 0.494100 F\n0.771005 0.005900 0.563745 F\n0.936255 0.228995 0.505900 F\n0.063745 0.728995 0.994100 F\n0.563745 0.771005 0.005900 F\n0.494100 0.436255 0.271005 F\n0.994100 0.063745 0.728995 F\n0.005900 0.563745 0.771005 F\n0.505900 0.936255 0.228995 F\n0.044028 0.807863 0.232890 F\n0.455972 0.192137 0.732890 F\n0.955972 0.307863 0.267110 F\n0.232890 0.044028 0.807863 F\n0.544028 0.692137 0.767110 F\n0.732890 0.455972 0.192137 F\n0.267110 0.955972 0.307863 F\n0.767110 0.544028 0.692137 F\n0.807863 0.232890 0.044028 F\n0.307863 0.267110 0.955972 F\n0.692137 0.767110 0.544028 F\n0.192137 0.732890 0.455972 F\n0.165439 0.256476 0.397966 F\n0.334561 0.743524 0.897966 F\n0.834561 0.756476 0.102034 F\n0.397966 0.165439 0.256476 F\n0.665439 0.243524 0.602034 F\n0.897966 0.334561 0.743524 F\n0.102034 0.834561 0.756476 F\n0.602034 0.665439 0.243524 F\n0.256476 0.397966 0.165439 F\n0.756476 0.102034 0.834561 F\n0.243524 0.602034 0.665439 F\n0.743524 0.897966 0.334561 F\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Mg",
"Be",
"N",
"F"
],
"chemical_system": "Be-F-Mg-N",
"density": 2.1591079555377934,
"density_atomic": 0.07449222175545485,
"volume": 1020.2407474097756,
"volume_molar": 8.084254460512204,
"formula_full": "Mg8 Be12 N8 F48",
"formula_reduced": "Mg2Be3(NF6)2",
"formula_anonymous": "A2B2C3D12",
"energy": -392.54425753,
"energy_per_atom": -5.165056020131579,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -370.36825753,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0129964,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.426000Z",
"spacegroup": 198
},
{
"id": "mp-865797",
"created_at": "2022-09-04T14:39:08.322000Z",
"structure_string": "Lu1 Co2 Sn1\n1.0\n0.000000 3.174997 3.174997\n3.174997 0.000000 3.174997\n3.174997 3.174997 0.000000\nLu Co Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Lu\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Co",
"Sn"
],
"chemical_system": "Co-Lu-Sn",
"density": 10.675906821734912,
"density_atomic": 0.06248849108556913,
"volume": 64.01178729892145,
"volume_molar": 9.63719983533213,
"formula_full": "Lu1 Co2 Sn1",
"formula_reduced": "LuCo2Sn",
"formula_anonymous": "ABC2",
"energy": -24.07896749,
"energy_per_atom": -6.0197418725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.07896749,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0245375,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.598000Z",
"spacegroup": 225
},
{
"id": "mp-1033059",
"created_at": "2022-09-04T14:39:08.323342Z",
"structure_string": "Ba1 Mg6 Al1 O8\n1.0\n8.613770 0.000000 0.000000\n0.000000 4.765860 -0.000000\n-0.000000 0.000000 4.765860\nBa Mg Al O\n1 6 1 8\ndirect\n0.500000 0.000000 0.000000 Ba\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.236982 0.000000 0.500000 Mg\n0.763018 -0.000000 0.500000 Mg\n0.236982 0.500000 0.000000 Mg\n0.763018 0.500000 -0.000000 Mg\n-0.000000 0.000000 0.000000 Al\n0.205060 0.000000 0.000000 O\n0.794940 -0.000000 -0.000000 O\n0.249837 0.500000 0.500000 O\n0.750163 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Al",
"O"
],
"chemical_system": "Al-Ba-Mg-O",
"density": 3.7186042603016016,
"density_atomic": 0.08177944338390487,
"volume": 195.64818905516032,
"volume_molar": 7.363880837057918,
"formula_full": "Ba1 Mg6 Al1 O8",
"formula_reduced": "BaMg6AlO8",
"formula_anonymous": "ABC6D8",
"energy": -95.8637088,
"energy_per_atom": -5.9914818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.3677088,
"band_gap": 1.9621000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.143000Z",
"spacegroup": 123
},
{
"id": "mp-561445",
"created_at": "2022-09-04T14:39:08.328573Z",
"structure_string": "Fe4 P4 O16\n1.0\n7.567301 0.000000 0.000000\n0.000000 5.605026 0.000000\n0.000000 4.660222 8.135005\nFe P O\n4 4 16\ndirect\n0.308885 0.328818 0.560177 Fe\n0.808885 0.671182 0.939823 Fe\n0.691115 0.671182 0.439823 Fe\n0.191115 0.328818 0.060177 Fe\n0.454715 0.684046 0.730190 P\n0.545285 0.315954 0.269810 P\n0.045285 0.684046 0.230190 P\n0.954715 0.315954 0.769810 P\n0.857335 0.517358 0.612553 O\n0.349713 0.952061 0.632939 O\n0.849713 0.047939 0.867061 O\n0.642101 0.740674 0.767252 O\n0.642665 0.517358 0.112553 O\n0.973168 0.449173 0.884367 O\n0.357335 0.482642 0.887447 O\n0.526832 0.449173 0.384367 O\n0.142101 0.259326 0.732748 O\n0.142665 0.482642 0.387447 O\n0.150287 0.952061 0.132939 O\n0.650287 0.047939 0.367061 O\n0.473168 0.550827 0.615633 O\n0.357899 0.259326 0.232748 O\n0.857899 0.740674 0.267252 O\n0.026832 0.550827 0.115633 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 2.903227604781421,
"density_atomic": 0.06955602854425044,
"volume": 345.0455769586037,
"volume_molar": 8.65797097108385,
"formula_full": "Fe4 P4 O16",
"formula_reduced": "FePO4",
"formula_anonymous": "ABC4",
"energy": -190.49742589,
"energy_per_atom": -7.937392745416666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -170.48142589,
"band_gap": 1.7056,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0000001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.777000Z",
"spacegroup": 14
},
{
"id": "mp-32679",
"created_at": "2022-09-04T14:39:08.367491Z",
"structure_string": "Nb10 C7\n1.0\n7.881377 2.751510 0.000000\n-7.881377 2.751510 0.000000\n0.000000 1.862771 5.192487\nNb C\n10 7\ndirect\n0.439167 0.047712 0.731544 Nb\n0.047712 0.439167 0.731544 Nb\n0.952288 0.560833 0.268456 Nb\n0.647183 0.851559 0.758603 Nb\n0.560833 0.952288 0.268456 Nb\n0.263779 0.263779 0.763979 Nb\n0.148441 0.352817 0.241397 Nb\n0.851559 0.647183 0.758603 Nb\n0.736221 0.736221 0.236021 Nb\n0.352817 0.148441 0.241397 Nb\n0.199646 0.800354 0.500000 C\n0.800354 0.199646 0.500000 C\n0.398899 0.601101 0.500000 C\n0.899278 0.100722 0.000000 C\n0.601101 0.398899 0.500000 C\n0.500000 0.500000 0.000000 C\n0.100722 0.899278 0.000000 C\n",
"nsites": 17,
"nelements": 2,
"elements": [
"Nb",
"C"
],
"chemical_system": "C-Nb",
"density": 7.470323188592848,
"density_atomic": 0.07548667741732322,
"volume": 225.20530220209056,
"volume_molar": 7.977753116231337,
"formula_full": "Nb10 C7",
"formula_reduced": "Nb10C7",
"formula_anonymous": "A7B10",
"energy": -173.72391161,
"energy_per_atom": -10.219053624117647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.72391161,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.78e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.919000Z",
"spacegroup": 12
},
{
"id": "mp-1202253",
"created_at": "2022-09-04T14:39:08.311212Z",
"structure_string": "Eu8 Si12 Ni32\n1.0\n9.988713 0.000000 0.000000\n0.000000 9.988713 0.000000\n0.000000 0.000000 7.487501\nEu Si Ni\n8 12 32\ndirect\n0.500000 0.706093 0.641535 Eu\n0.500000 0.293907 0.641535 Eu\n0.206093 0.000000 0.141535 Eu\n0.793907 0.000000 0.141535 Eu\n0.000000 0.793907 0.858465 Eu\n0.000000 0.206093 0.858465 Eu\n0.293907 0.500000 0.358465 Eu\n0.706093 0.500000 0.358465 Eu\n0.500000 0.000000 0.264942 Si\n0.500000 0.000000 0.764942 Si\n0.000000 0.500000 0.235058 Si\n0.000000 0.500000 0.735058 Si\n0.292442 0.707558 0.000000 Si\n0.292442 0.292442 0.000000 Si\n0.707558 0.707558 0.000000 Si\n0.707558 0.292442 0.000000 Si\n0.207558 0.792442 0.500000 Si\n0.207558 0.207558 0.500000 Si\n0.792442 0.792442 0.500000 Si\n0.792442 0.207558 0.500000 Si\n0.500000 0.862542 0.007499 Ni\n0.500000 0.137458 0.007499 Ni\n0.362542 0.000000 0.507499 Ni\n0.637458 0.000000 0.507499 Ni\n0.000000 0.637458 0.492501 Ni\n0.000000 0.362542 0.492501 Ni\n0.137458 0.500000 0.992501 Ni\n0.862542 0.500000 0.992501 Ni\n0.372981 0.792734 0.281857 Ni\n0.372981 0.207266 0.281857 Ni\n0.627019 0.792734 0.281857 Ni\n0.627019 0.207266 0.281857 Ni\n0.292734 0.872981 0.781857 Ni\n0.292734 0.127019 0.781857 Ni\n0.707266 0.872981 0.781857 Ni\n0.707266 0.127019 0.781857 Ni\n0.127019 0.707266 0.218143 Ni\n0.127019 0.292734 0.218143 Ni\n0.872981 0.707266 0.218143 Ni\n0.872981 0.292734 0.218143 Ni\n0.207266 0.627019 0.718143 Ni\n0.207266 0.372981 0.718143 Ni\n0.792734 0.627019 0.718143 Ni\n0.792734 0.372981 0.718143 Ni\n0.500000 0.627529 0.102286 Ni\n0.500000 0.372471 0.102286 Ni\n0.127529 0.000000 0.602286 Ni\n0.872471 0.000000 0.602286 Ni\n0.000000 0.872471 0.397714 Ni\n0.000000 0.127529 0.397714 Ni\n0.372471 0.500000 0.897714 Ni\n0.627529 0.500000 0.897714 Ni\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Eu",
"Si",
"Ni"
],
"chemical_system": "Eu-Ni-Si",
"density": 7.626136711101969,
"density_atomic": 0.0696061126907978,
"volume": 747.0608254047004,
"volume_molar": 8.651741243978634,
"formula_full": "Eu8 Si12 Ni32",
"formula_reduced": "Eu2Si3Ni8",
"formula_anonymous": "A2B3C8",
"energy": -359.94590278000004,
"energy_per_atom": -6.922036591923078,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -360.79790278,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 55.223708,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.621000Z",
"spacegroup": 137
},
{
"id": "mp-1219469",
"created_at": "2022-09-04T14:39:08.359995Z",
"structure_string": "Sb1 Pd6 Se1\n1.0\n7.526028 -2.269496 0.000000\n7.526028 2.269496 0.000000\n6.841654 0.000000 3.870848\nSb Pd Se\n1 6 1\ndirect\n0.000000 0.000000 0.000000 Sb\n0.251285 0.251285 0.251285 Pd\n0.748715 0.748715 0.748715 Pd\n0.623896 0.623896 0.623896 Pd\n0.126098 0.126098 0.126098 Pd\n0.873902 0.873902 0.873902 Pd\n0.376104 0.376104 0.376104 Pd\n0.500000 0.500000 0.500000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sb",
"Pd",
"Se"
],
"chemical_system": "Pd-Sb-Se",
"density": 10.539109278922759,
"density_atomic": 0.06050045239466959,
"volume": 132.23041619280258,
"volume_molar": 9.953877238330506,
"formula_full": "Sb1 Pd6 Se1",
"formula_reduced": "SbPd6Se",
"formula_anonymous": "ABC6",
"energy": -40.95025448,
"energy_per_atom": -5.11878181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.47825448,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046157,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.892000Z",
"spacegroup": 166
},
{
"id": "mp-758002",
"created_at": "2022-09-04T14:39:08.362025Z",
"structure_string": "Li9 Sn3 P6 O24\n1.0\n4.259500 -7.377670 0.000000\n4.259500 7.377670 0.000000\n0.000000 0.000000 7.708994\nLi Sn P O\n9 3 6 24\ndirect\n0.350495 0.008074 0.640321 Li\n0.991926 0.342421 0.640321 Li\n0.000000 0.000000 0.601232 Li\n0.333333 0.666667 0.529047 Li\n0.306899 0.348429 0.354733 Li\n0.657579 0.649505 0.640321 Li\n0.666667 0.333333 0.499182 Li\n0.041530 0.693101 0.354733 Li\n0.651571 0.958470 0.354733 Li\n0.000000 0.000000 0.050046 Sn\n0.333333 0.666667 0.027378 Sn\n0.666667 0.333333 0.946421 Sn\n0.021507 0.685260 0.747538 P\n0.314740 0.336246 0.747538 P\n0.663754 0.978493 0.747538 P\n0.370243 0.037739 0.245252 P\n0.667496 0.629757 0.245252 P\n0.962261 0.332504 0.245252 P\n0.159552 0.939078 0.254546 O\n0.143588 0.709385 0.588023 O\n0.144089 0.768545 0.908630 O\n0.432004 0.894447 0.218413 O\n0.105553 0.537557 0.218413 O\n0.060922 0.220474 0.254546 O\n0.624456 0.855911 0.908630 O\n0.227909 0.133393 0.708719 O\n0.231455 0.375544 0.908630 O\n0.290615 0.434202 0.588023 O\n0.565798 0.856412 0.588023 O\n0.462443 0.567996 0.218413 O\n0.527730 0.417119 0.774968 O\n0.448524 0.136841 0.416147 O\n0.688317 0.551476 0.416147 O\n0.744683 0.567280 0.091407 O\n0.779526 0.840448 0.254546 O\n0.432720 0.177404 0.091407 O\n0.905484 0.772091 0.708719 O\n0.889389 0.472270 0.774968 O\n0.582881 0.110611 0.774968 O\n0.822596 0.255317 0.091407 O\n0.863159 0.311683 0.416147 O\n0.866607 0.094516 0.708719 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Li",
"Sn",
"P",
"O"
],
"chemical_system": "Li-O-P-Sn",
"density": 3.3875695601838793,
"density_atomic": 0.08668495717722738,
"volume": 484.5131308553456,
"volume_molar": 6.9471577954266435,
"formula_full": "Li9 Sn3 P6 O24",
"formula_reduced": "Li3Sn(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -288.19144356,
"energy_per_atom": -6.861701037142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -271.70344356,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0364474,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.445000Z",
"spacegroup": 143
},
{
"id": "mp-677611",
"created_at": "2022-09-04T14:39:05.822181Z",
"structure_string": "Tl2 Ag2 As4 Pb2 S10\n1.0\n8.099882 0.000000 0.000000\n3.404295 7.482222 0.000000\n2.315271 3.268421 8.372890\nTl Ag As Pb S\n2 2 4 2 10\ndirect\n0.695872 0.853830 0.864232 Tl\n0.304128 0.146170 0.135768 Tl\n0.890253 0.244012 0.912744 Ag\n0.109747 0.755988 0.087256 Ag\n0.889317 0.954551 0.372885 As\n0.550715 0.383363 0.191519 As\n0.449285 0.616637 0.808481 As\n0.110683 0.045449 0.627115 As\n0.751363 0.540540 0.407252 Pb\n0.248637 0.459460 0.592748 Pb\n0.816601 0.434703 0.091709 S\n0.869125 0.691581 0.589478 S\n0.787801 0.919720 0.183233 S\n0.631895 0.177874 0.450979 S\n0.378147 0.651115 0.247384 S\n0.621853 0.348885 0.752616 S\n0.368105 0.822126 0.549021 S\n0.212199 0.080280 0.816767 S\n0.130875 0.308419 0.410522 S\n0.183399 0.565297 0.908291 S\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Tl",
"Ag",
"As",
"Pb",
"S"
],
"chemical_system": "Ag-As-Pb-S-Tl",
"density": 5.429670583627168,
"density_atomic": 0.03941352953206628,
"volume": 507.4399638258301,
"volume_molar": 15.279374447042283,
"formula_full": "Tl2 Ag2 As4 Pb2 S10",
"formula_reduced": "TlAgAs2PbS5",
"formula_anonymous": "ABCD2E5",
"energy": -88.07146653000001,
"energy_per_atom": -4.4035733265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.04146653000001,
"band_gap": 1.5879999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046417,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.727000Z",
"spacegroup": 2
}
]
}