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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=10370",
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"results": [
{
"id": "mp-850909",
"created_at": "2022-09-04T14:42:12.325437Z",
"structure_string": "Li12 Mn8 P12 O48\n1.0\n6.826656 6.948886 0.000000\n-6.826656 6.948886 0.000000\n0.000000 1.170199 9.826473\nLi Mn P O\n12 8 12 48\ndirect\n0.210180 0.031997 0.414159 Li\n0.494213 0.809981 0.522905 Li\n0.968003 0.789820 0.585841 Li\n0.190019 0.505787 0.477095 Li\n0.471854 0.037360 0.257226 Li\n0.962640 0.528146 0.742774 Li\n0.255429 0.345470 0.746132 Li\n0.654530 0.744571 0.253868 Li\n0.805106 0.511821 0.003088 Li\n0.999963 0.230668 0.912644 Li\n0.488179 0.194894 0.996912 Li\n0.769332 0.000037 0.087356 Li\n0.241328 0.967178 0.778110 Mn\n0.973845 0.245129 0.277250 Mn\n0.530796 0.469204 0.500000 Mn\n0.742608 0.257392 0.500000 Mn\n0.259607 0.740393 0.000000 Mn\n0.032822 0.758672 0.221890 Mn\n0.471449 0.528551 0.000000 Mn\n0.754871 0.026155 0.722750 Mn\n0.833154 0.953454 0.404558 P\n0.346573 0.675003 0.300797 P\n0.843859 0.557707 0.431748 P\n0.324997 0.653427 0.699203 P\n0.952262 0.821785 0.908715 P\n0.558774 0.838689 0.934828 P\n0.442293 0.156141 0.568252 P\n0.046546 0.166846 0.595442 P\n0.679437 0.336777 0.801963 P\n0.161311 0.441226 0.065172 P\n0.663223 0.320563 0.198037 P\n0.178215 0.047738 0.091285 P\n0.724618 0.904496 0.319229 O\n0.979902 0.894134 0.373277 O\n0.431713 0.793444 0.340681 O\n0.187190 0.688079 0.335873 O\n0.800494 0.915872 0.560716 O\n0.897696 0.623484 0.289065 O\n0.382231 0.534310 0.375242 O\n0.311921 0.812810 0.664127 O\n0.684264 0.592633 0.433526 O\n0.890583 0.965229 0.868113 O\n0.618382 0.896892 0.791434 O\n0.918419 0.605867 0.547179 O\n0.465690 0.617769 0.624758 O\n0.621058 0.329439 0.355466 O\n0.870695 0.397148 0.429326 O\n0.397931 0.868349 0.930404 O\n0.116352 0.831990 0.874400 O\n0.206556 0.568287 0.659319 O\n0.908866 0.703224 0.832762 O\n0.608017 0.906996 0.053649 O\n0.336356 0.618793 0.856627 O\n0.168010 0.883648 0.125600 O\n0.407367 0.315736 0.566474 O\n0.084128 0.199506 0.439284 O\n0.916474 0.799974 0.066411 O\n0.593417 0.680422 0.944822 O\n0.837102 0.116857 0.371735 O\n0.670561 0.378942 0.644534 O\n0.394133 0.081581 0.452821 O\n0.095504 0.275382 0.680771 O\n0.808255 0.401360 0.846775 O\n0.602852 0.129305 0.570674 O\n0.883143 0.162898 0.628265 O\n0.131651 0.602069 0.069596 O\n0.381207 0.663644 0.143373 O\n0.540420 0.380118 0.874969 O\n0.093004 0.391983 0.946351 O\n0.105866 0.020098 0.626723 O\n0.376516 0.102304 0.710935 O\n0.319578 0.406583 0.055178 O\n0.680921 0.176404 0.834575 O\n0.619882 0.459580 0.125031 O\n0.103108 0.381618 0.208566 O\n0.200026 0.083526 0.933589 O\n0.823596 0.319079 0.165425 O\n0.598640 0.191745 0.153225 O\n0.034771 0.109417 0.131887 O\n0.296776 0.091134 0.167238 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.9610621939369435,
"density_atomic": 0.08581024070885099,
"volume": 932.2896584270776,
"volume_molar": 7.0179744401752275,
"formula_full": "Li12 Mn8 P12 O48",
"formula_reduced": "Li3Mn2(PO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -599.45255798,
"energy_per_atom": -7.493156974750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -553.13255798,
"band_gap": 0.2426999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 32.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.432000Z",
"spacegroup": 5
},
{
"id": "mp-1234839",
"created_at": "2022-09-04T14:42:13.563121Z",
"structure_string": "Mg1 Cr2 Cu2 W4 O16\n1.0\n0.011852 -0.000005 -5.026685\n-4.844311 -5.876430 0.042379\n-4.844285 5.876410 0.042392\nMg Cr Cu W O\n1 2 2 4 16\ndirect\n0.750001 0.053937 0.946063 Mg\n0.749998 0.821612 0.178384 Cr\n0.250005 0.179895 0.820102 Cr\n0.750006 0.333155 0.666854 Cu\n0.249998 0.660171 0.339826 Cu\n0.762385 0.363779 0.184780 W\n0.245964 0.663643 0.835256 W\n0.737614 0.815220 0.636217 W\n0.254036 0.164746 0.336356 W\n0.422427 0.701789 0.055421 O\n0.583650 0.291912 0.945321 O\n0.077571 0.944580 0.298212 O\n0.916352 0.054676 0.708086 O\n0.920996 0.806870 0.926793 O\n0.064673 0.194914 0.074739 O\n0.579005 0.073207 0.193130 O\n0.435324 0.925262 0.805084 O\n0.908728 0.587200 0.193205 O\n0.113301 0.432900 0.818635 O\n0.591264 0.806795 0.412804 O\n0.386701 0.181364 0.567098 O\n0.564842 0.590668 0.695963 O\n0.415311 0.400163 0.307857 O\n0.935159 0.304037 0.409332 O\n0.084688 0.692145 0.599838 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
"Mg",
"Cr",
"Cu",
"W",
"O"
],
"chemical_system": "Cr-Cu-Mg-O-W",
"density": 7.233999348868478,
"density_atomic": 0.0873561775684537,
"volume": 286.1846831657624,
"volume_molar": 6.893777781520894,
"formula_full": "Mg1 Cr2 Cu2 W4 O16",
"formula_reduced": "MgCr2Cu2(WO4)4",
"formula_anonymous": "AB2C2D4E16",
"energy": -208.88225371,
"energy_per_atom": -8.3552901484,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -176.14025371,
"band_gap": 0.2461999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9972059,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.956000Z",
"spacegroup": 5
},
{
"id": "mp-1225234",
"created_at": "2022-09-04T14:42:12.378978Z",
"structure_string": "Er2 Se3 O12\n1.0\n-0.082983 0.000000 -6.552666\n0.000000 -7.047317 0.000000\n-5.949113 -3.523658 1.368516\nEr Se O\n2 3 12\ndirect\n0.862248 0.853229 0.420980 Er\n0.137752 0.274209 0.579020 Er\n0.370864 0.743609 0.584788 Se\n0.629136 0.328398 0.415212 Se\n0.000000 0.381109 0.000000 Se\n0.513632 0.876307 0.387539 O\n0.486368 0.263845 0.612461 O\n0.826036 0.110461 0.540121 O\n0.173964 0.650583 0.459879 O\n0.828957 0.196468 0.093738 O\n0.171043 0.290206 0.906262 O\n0.806382 0.496456 0.466572 O\n0.193618 0.963028 0.533428 O\n0.876963 0.624199 0.794420 O\n0.123037 0.418619 0.205580 O\n0.796292 0.775498 0.128278 O\n0.203708 0.903776 0.871722 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Er",
"Se",
"O"
],
"chemical_system": "Er-O-Se",
"density": 4.60085577087893,
"density_atomic": 0.061700903171812524,
"volume": 275.5227091678342,
"volume_molar": 9.760214924619058,
"formula_full": "Er2 Se3 O12",
"formula_reduced": "Er2(SeO4)3",
"formula_anonymous": "A2B3C12",
"energy": -109.09651642,
"energy_per_atom": -6.417442142352941,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -100.85251642,
"band_gap": 0.6339,
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"is_magnetic": true,
"total_magnetization": 4.000085,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.050000Z",
"spacegroup": 5
},
{
"id": "mp-772041",
"created_at": "2022-09-04T14:42:12.491775Z",
"structure_string": "Li4 Mn6 P6 O24\n1.0\n4.468822 7.356396 0.000000\n-4.468822 7.356396 0.000000\n0.000000 4.413703 7.303939\nLi Mn P O\n4 6 6 24\ndirect\n0.355712 0.644288 0.500000 Li\n0.658770 0.341230 0.000000 Li\n0.246089 0.152090 0.600857 Li\n0.847910 0.753911 0.399143 Li\n0.497988 0.009751 0.241684 Mn\n0.149654 0.644357 0.896492 Mn\n0.652965 0.156349 0.406496 Mn\n0.990249 0.502012 0.758316 Mn\n0.355643 0.850346 0.103508 Mn\n0.843651 0.347035 0.593504 Mn\n0.749367 0.560153 0.183135 P\n0.439847 0.250633 0.816865 P\n0.059561 0.940439 0.500000 P\n0.962655 0.037345 0.000000 P\n0.544100 0.749198 0.693685 P\n0.250802 0.455900 0.306315 P\n0.597635 0.307149 0.789024 O\n0.028405 0.094008 0.565734 O\n0.803578 0.536976 0.343399 O\n0.581748 0.747674 0.176518 O\n0.692851 0.402365 0.210976 O\n0.900852 0.582558 0.997316 O\n0.417442 0.099148 0.002684 O\n0.252326 0.418252 0.823482 O\n0.113495 0.992675 0.077466 O\n0.082732 0.745155 0.647470 O\n0.768377 0.056551 0.147294 O\n0.489780 0.813150 0.856118 O\n0.463024 0.196422 0.656601 O\n0.254845 0.917268 0.352530 O\n0.943449 0.231623 0.852706 O\n0.905991 0.971595 0.434266 O\n0.739403 0.596532 0.682637 O\n0.570975 0.902792 0.503608 O\n0.097208 0.429025 0.496392 O\n0.316666 0.600388 0.293328 O\n0.403468 0.260597 0.317363 O\n0.186850 0.510220 0.143882 O\n0.007325 0.886505 0.922534 O\n0.399612 0.683334 0.706672 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.206171919434104,
"density_atomic": 0.08329418865967578,
"volume": 480.22557928299653,
"volume_molar": 7.229965087486863,
"formula_full": "Li4 Mn6 P6 O24",
"formula_reduced": "Li2Mn3(PO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -314.40741922,
"energy_per_atom": -7.8601854805,
"energy_above_hull": null,
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"energy_uncorrected": -287.91141922,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.222000Z",
"spacegroup": 5
},
{
"id": "mp-1229181",
"created_at": "2022-09-04T14:42:12.611824Z",
"structure_string": "Ag12 Au4 Se6 S2\n1.0\n5.037179 7.114604 0.000000\n-5.037179 7.114604 0.000000\n0.000000 7.112646 7.134345\nAg Au Se S\n12 4 6 2\ndirect\n0.873116 0.126884 0.500000 Ag\n0.626453 0.373547 0.000000 Ag\n0.375946 0.624054 0.500000 Ag\n0.130259 0.869741 0.000000 Ag\n0.752331 0.748507 0.126142 Ag\n0.251493 0.247669 0.873858 Ag\n0.744472 0.754097 0.628363 Ag\n0.245903 0.255528 0.371637 Ag\n0.376846 0.876260 0.625440 Ag\n0.123740 0.623154 0.374560 Ag\n0.878608 0.376462 0.127589 Ag\n0.623538 0.121392 0.872411 Ag\n0.499873 0.244785 0.504920 Au\n0.755215 0.500127 0.495080 Au\n0.750471 0.000207 0.249508 Au\n0.999793 0.249529 0.750492 Au\n0.462882 0.001475 0.248963 Se\n0.998525 0.537118 0.751037 Se\n0.467389 0.500237 0.782928 Se\n0.499763 0.532611 0.217072 Se\n0.037706 0.000067 0.249314 Se\n0.999933 0.962294 0.750686 Se\n0.498846 0.973101 0.777123 S\n0.026899 0.501154 0.222877 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ag",
"Au",
"Se",
"S"
],
"chemical_system": "Ag-Au-S-Se",
"density": 8.508580721527489,
"density_atomic": 0.04693415710936513,
"volume": 511.3546610430359,
"volume_molar": 12.831040612846879,
"formula_full": "Ag12 Au4 Se6 S2",
"formula_reduced": "Ag6Au2Se3S",
"formula_anonymous": "AB2C3D6",
"energy": -81.92946841999999,
"energy_per_atom": -3.413727850833333,
"energy_above_hull": null,
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"energy_uncorrected": -78.09146842,
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"updated_at": "2021-11-28T01:35:34.156000Z",
"spacegroup": 5
},
{
"id": "mp-1221076",
"created_at": "2022-09-04T14:42:12.677168Z",
"structure_string": "Na1 Ca1 Sc1 Zn1 Si4 O12\n1.0\n4.552850 4.980442 0.000000\n-4.552850 4.980442 0.000000\n0.000000 1.513574 5.134059\nNa Ca Sc Zn Si O\n1 1 1 1 4 12\ndirect\n0.302078 0.697922 0.500000 Na\n0.699912 0.300088 0.000000 Ca\n0.102272 0.897728 0.000000 Sc\n0.900539 0.099461 0.500000 Zn\n0.801700 0.622242 0.485489 Si\n0.377758 0.198300 0.514511 Si\n0.197986 0.378579 0.012672 Si\n0.621421 0.802014 0.987328 Si\n0.665559 0.634148 0.252892 O\n0.365852 0.334441 0.747108 O\n0.338145 0.360734 0.240251 O\n0.639266 0.661855 0.759749 O\n0.883942 0.391547 0.572034 O\n0.608453 0.116058 0.427966 O\n0.110886 0.608601 0.939281 O\n0.391399 0.889114 0.060719 O\n0.964858 0.799023 0.392260 O\n0.200977 0.035142 0.607740 O\n0.030964 0.203966 0.099286 O\n0.796034 0.969036 0.900714 O\n",
"nsites": 20,
"nelements": 6,
"elements": [
"Na",
"Ca",
"Sc",
"Zn",
"Si",
"O"
],
"chemical_system": "Ca-Na-O-Sc-Si-Zn",
"density": 3.40740380664127,
"density_atomic": 0.08589896198824351,
"volume": 232.83168430763206,
"volume_molar": 7.010725881442217,
"formula_full": "Na1 Ca1 Sc1 Zn1 Si4 O12",
"formula_reduced": "NaCaScZn(SiO3)4",
"formula_anonymous": "ABCDE4F12",
"energy": -155.51675195,
"energy_per_atom": -7.775837597500001,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:39.093000Z",
"spacegroup": 5
},
{
"id": "mp-764721",
"created_at": "2022-09-04T14:42:12.642506Z",
"structure_string": "Li2 V2 O2 F6\n1.0\n2.364540 6.615026 0.000000\n-2.364540 6.615026 0.000000\n0.000000 1.644985 4.430540\nLi V O F\n2 2 2 6\ndirect\n0.746733 0.253267 0.500000 Li\n0.250815 0.749185 0.000000 Li\n0.582231 0.032415 0.216893 V\n0.967585 0.417769 0.783107 V\n0.830031 0.770155 0.475661 O\n0.229845 0.169969 0.524339 O\n0.466320 0.374155 0.282131 F\n0.868096 0.970475 0.872217 F\n0.266195 0.338973 0.926049 F\n0.625845 0.533680 0.717869 F\n0.661027 0.733805 0.073951 F\n0.029526 0.131904 0.127783 F\n",
"nsites": 12,
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"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.136013402265969,
"density_atomic": 0.08657975805519441,
"volume": 138.6005259144987,
"volume_molar": 6.95559897055949,
"formula_full": "Li2 V2 O2 F6",
"formula_reduced": "LiVOF3",
"formula_anonymous": "ABCD3",
"energy": -78.85973510000001,
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"updated_at": "2021-11-28T01:35:36.960000Z",
"spacegroup": 5
},
{
"id": "mp-1224180",
"created_at": "2022-09-04T14:42:12.648870Z",
"structure_string": "In1 Ga1 Cu2 Te2 Se2\n1.0\n6.009547 -0.016513 0.000062\n-0.016585 6.003738 0.000841\n2.996532 2.994435 5.999569\nIn Ga Cu Te Se\n1 1 2 2 2\ndirect\n0.508947 0.508976 0.982260 In\n0.241664 0.741677 0.516688 Ga\n0.741952 0.241923 0.516215 Cu\n0.009447 0.009431 0.980994 Cu\n0.095327 0.107059 0.261207 Te\n0.643336 0.631686 0.261322 Te\n0.365459 0.896363 0.740635 Se\n0.893869 0.362885 0.740679 Se\n",
"nsites": 8,
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"elements": [
"In",
"Ga",
"Cu",
"Te",
"Se"
],
"chemical_system": "Cu-Ga-In-Se-Te",
"density": 5.560215041427205,
"density_atomic": 0.036960893045675264,
"volume": 216.44498660012943,
"volume_molar": 16.293277201278666,
"formula_full": "In1 Ga1 Cu2 Te2 Se2",
"formula_reduced": "InGaCu2(TeSe)2",
"formula_anonymous": "ABC2D2E2",
"energy": -31.79036678,
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"updated_at": "2021-11-28T01:35:36.279000Z",
"spacegroup": 5
},
{
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