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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=1776",
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"results": [
{
"id": "mp-1520744",
"created_at": "2022-09-04T14:43:21.076888Z",
"structure_string": "K2 La2 Eu2 Sb2 O12\n1.0\n5.890589 0.005816 -0.019623\n-0.003851 6.120334 0.003735\n-0.042741 -0.008552 8.463302\nK La Eu Sb O\n2 2 2 2 12\ndirect\n0.508678 0.534804 0.249208 K\n0.008701 0.965171 0.749177 K\n0.997931 0.520490 -0.000455 La\n0.497809 0.979603 0.499544 La\n0.980624 0.066630 0.251744 Eu\n0.480341 0.433378 0.751161 Eu\n0.499389 -0.000569 0.001165 Sb\n-0.000779 0.500325 0.500836 Sb\n0.239469 0.212051 0.957176 O\n0.286481 0.660018 0.562727 O\n0.786746 0.840048 0.062774 O\n0.739551 0.288323 0.457219 O\n0.350849 0.712648 0.939018 O\n0.201329 0.236290 0.547436 O\n0.701536 0.263542 0.047549 O\n0.850631 0.787393 0.439050 O\n0.368210 0.975331 0.222657 O\n0.066953 0.449901 0.269661 O\n0.567187 0.049982 0.769503 O\n0.868365 0.524642 0.722851 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"K",
"La",
"Eu",
"Sb",
"O"
],
"chemical_system": "Eu-K-La-O-Sb",
"density": 5.961754476297997,
"density_atomic": 0.06554854909038205,
"volume": 305.11735618164283,
"volume_molar": 9.187298336224547,
"formula_full": "K2 La2 Eu2 Sb2 O12",
"formula_reduced": "KLaEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -155.00750415,
"energy_per_atom": -7.750375207499999,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -146.76350415,
"band_gap": 0.0045000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.087000Z",
"spacegroup": 7
},
{
"id": "mp-977140",
"created_at": "2022-09-04T14:43:21.107364Z",
"structure_string": "Na1 Ta3\n1.0\n0.000000 3.343881 3.343881\n3.343881 0.000000 3.343881\n3.343881 3.343881 0.000000\nNa Ta\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.750000 0.750000 Ta\n0.250000 0.250000 0.250000 Ta\n0.500000 0.500000 0.500000 Ta\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Ta"
],
"chemical_system": "Na-Ta",
"density": 12.564790374870777,
"density_atomic": 0.05349061051718169,
"volume": 74.77947926421895,
"volume_molar": 11.258313752215694,
"formula_full": "Na1 Ta3",
"formula_reduced": "NaTa3",
"formula_anonymous": "AB3",
"energy": -33.69072806,
"energy_per_atom": -8.422682015,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -33.69072806,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006326,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.392000Z",
"spacegroup": 225
},
{
"id": "mp-676516",
"created_at": "2022-09-04T14:43:21.050015Z",
"structure_string": "Pr2 Pb17 Se20\n1.0\n2.204105 9.556378 0.000000\n-2.204105 9.556378 0.000000\n0.000000 6.031015 28.549340\nPr Pb Se\n2 17 20\ndirect\n0.403401 0.403401 0.903238 Pr\n0.596599 0.596599 0.096762 Pr\n0.698043 0.698043 0.949436 Pb\n0.202954 0.202954 0.201033 Pb\n0.301957 0.301957 0.050564 Pb\n0.801172 0.801172 0.297885 Pb\n0.905178 0.905178 0.144651 Pb\n0.398208 0.398208 0.401762 Pb\n0.497326 0.497326 0.252128 Pb\n0.000000 0.000000 0.500000 Pb\n0.101073 0.101073 0.350638 Pb\n0.701081 0.701081 0.448524 Pb\n0.601792 0.601792 0.598238 Pb\n0.198828 0.198828 0.702115 Pb\n0.298919 0.298919 0.551476 Pb\n0.898927 0.898927 0.649362 Pb\n0.797046 0.797046 0.798967 Pb\n0.502674 0.502674 0.747872 Pb\n0.094822 0.094822 0.855349 Pb\n0.548860 0.548860 0.920682 Se\n0.151874 0.151874 0.029652 Se\n0.745008 0.745008 0.122935 Se\n0.848126 0.848126 0.970348 Se\n0.451140 0.451140 0.079318 Se\n0.346806 0.346806 0.228468 Se\n0.951554 0.951554 0.323329 Se\n0.053314 0.053314 0.169903 Se\n0.549611 0.549611 0.424816 Se\n0.648704 0.648704 0.274288 Se\n0.248219 0.248219 0.377307 Se\n0.148622 0.148622 0.526550 Se\n0.851378 0.851378 0.473450 Se\n0.751781 0.751781 0.622693 Se\n0.450389 0.450389 0.575184 Se\n0.351296 0.351296 0.725712 Se\n0.048446 0.048446 0.676671 Se\n0.946686 0.946686 0.830097 Se\n0.653194 0.653194 0.771532 Se\n0.254992 0.254992 0.877065 Se\n",
"nsites": 39,
"nelements": 3,
"elements": [
"Pr",
"Pb",
"Se"
],
"chemical_system": "Pb-Pr-Se",
"density": 7.432849065924865,
"density_atomic": 0.03242746050437176,
"volume": 1202.6843728555973,
"volume_molar": 18.571114315868538,
"formula_full": "Pr2 Pb17 Se20",
"formula_reduced": "Pr2Pb17Se20",
"formula_anonymous": "A2B17C20",
"energy": -179.97925352,
"energy_per_atom": -4.614852654358974,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -170.53925352,
"band_gap": 0.9068999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0094217,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.137000Z",
"spacegroup": 12
},
{
"id": "mp-1182213",
"created_at": "2022-09-04T14:43:21.056687Z",
"structure_string": "Ca4 Al8 Si8 O48\n1.0\n10.596408 0.000000 0.000000\n0.000000 9.359688 0.000000\n0.000000 0.005222 10.303620\nCa Al Si O\n4 8 8 48\ndirect\n0.432565 0.719524 0.978785 Ca\n0.932565 0.280476 0.021215 Ca\n0.569151 0.265955 0.517432 Ca\n0.069151 0.734045 0.482568 Ca\n0.367644 0.069920 0.085397 Al\n0.867644 0.930080 0.914603 Al\n0.622662 0.920294 0.414737 Al\n0.122662 0.079706 0.585263 Al\n0.667353 0.567334 0.117748 Al\n0.167353 0.432666 0.882252 Al\n0.338372 0.428805 0.381900 Al\n0.838372 0.571195 0.618100 Al\n0.389845 0.412615 0.073359 Si\n0.889845 0.587385 0.926641 Si\n0.618831 0.576964 0.425895 Si\n0.118831 0.423036 0.574105 Si\n0.637030 0.914558 0.095918 Si\n0.137030 0.085442 0.904082 Si\n0.352819 0.078463 0.401056 Si\n0.852819 0.921537 0.598944 Si\n0.333587 0.045198 0.249287 O\n0.833587 0.954802 0.750713 O\n0.651667 0.942183 0.249323 O\n0.151667 0.057817 0.750677 O\n0.406559 0.245369 0.044812 O\n0.906559 0.754631 0.955188 O\n0.594997 0.743155 0.456299 O\n0.094997 0.256845 0.543701 O\n0.329412 0.447646 0.214939 O\n0.829412 0.552354 0.785061 O\n0.680339 0.547099 0.284050 O\n0.180339 0.452901 0.715950 O\n0.137150 0.257883 0.938455 O\n0.637150 0.742117 0.061545 O\n0.860393 0.748906 0.566505 O\n0.360393 0.251094 0.433495 O\n0.492338 0.950790 0.042451 O\n0.992338 0.049210 0.957549 O\n0.496330 0.037086 0.454117 O\n0.996330 0.962914 0.545883 O\n0.245329 0.003022 0.986426 O\n0.745329 0.996978 0.013574 O\n0.742109 0.997696 0.512825 O\n0.242109 0.002304 0.487175 O\n0.302715 0.500476 0.963202 O\n0.802715 0.499524 0.036798 O\n0.707151 0.493751 0.537209 O\n0.207151 0.506249 0.462791 O\n0.523040 0.500916 0.056019 O\n0.023040 0.499084 0.943981 O\n0.487354 0.484081 0.442466 O\n0.987354 0.515919 0.557534 O\n0.440502 0.187894 0.733285 O\n0.940502 0.812106 0.266715 O\n0.560886 0.678517 0.741492 O\n0.060886 0.321483 0.258508 O\n0.482141 0.580326 0.737610 O\n0.982141 0.419674 0.262390 O\n0.672268 0.322908 0.789325 O\n0.172268 0.677092 0.210675 O\n0.317447 0.828253 0.738946 O\n0.817447 0.171747 0.261054 O\n0.499846 0.078359 0.760414 O\n0.999846 0.921641 0.239586 O\n0.206953 0.741403 0.112610 O\n0.706953 0.258597 0.887390 O\n0.776318 0.238079 0.355377 O\n0.276318 0.761921 0.644623 O\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si",
"density": 2.224259255613065,
"density_atomic": 0.06654248807044243,
"volume": 1021.9034780907898,
"volume_molar": 9.0500685120534,
"formula_full": "Ca4 Al8 Si8 O48",
"formula_reduced": "CaAl2(SiO6)2",
"formula_anonymous": "AB2C2D12",
"energy": -476.51290275,
"energy_per_atom": -7.0075426875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -468.78490275,
"band_gap": 0.631,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 16.0023623,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.934000Z",
"spacegroup": 4
},
{
"id": "mp-1221027",
"created_at": "2022-09-04T14:43:21.056687Z",
"structure_string": "Na2 Ni4 H6 Se4 O20\n1.0\n-0.000449 -6.386343 0.000594\n-4.048087 3.193419 -5.730551\n8.153576 0.000925 -3.766804\nNa Ni H Se O\n2 4 6 4 20\ndirect\n0.250716 0.501443 0.749498 Na\n0.750723 0.501455 0.249497 Na\n0.751739 0.999782 0.746835 Ni\n0.747960 0.000058 0.247007 Ni\n0.251747 0.999938 0.246874 Ni\n0.247946 0.000011 0.747004 Ni\n0.391286 0.782560 0.074498 H\n0.891368 0.782544 0.574477 H\n0.113298 0.226485 0.420287 H\n0.613306 0.226465 0.920270 H\n0.006053 0.012093 0.490011 H\n0.506076 0.012090 0.990018 H\n0.146933 0.293754 0.057853 Se\n0.646933 0.293758 0.557868 Se\n0.353961 0.707957 0.439733 Se\n0.853990 0.707958 0.939749 Se\n0.461957 0.924014 0.109054 O\n0.961995 0.923992 0.609044 O\n0.041936 0.083955 0.387430 O\n0.542022 0.083932 0.887417 O\n0.257437 0.514829 0.021239 O\n0.757441 0.514838 0.521241 O\n0.243233 0.486432 0.476254 O\n0.743235 0.486431 0.976257 O\n0.070186 0.140545 0.885422 O\n0.570320 0.140571 0.385430 O\n0.429813 0.859512 0.613105 O\n0.929671 0.859534 0.113110 O\n0.409966 0.251359 0.653940 O\n0.909899 0.251288 0.153901 O\n0.841502 0.251208 0.653931 O\n0.341536 0.251336 0.153964 O\n0.091589 0.750959 0.844436 O\n0.591647 0.751043 0.344462 O\n0.659288 0.750942 0.844457 O\n0.159295 0.750923 0.344426 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Na",
"Ni",
"H",
"Se",
"O"
],
"chemical_system": "H-Na-Ni-O-Se",
"density": 3.8710925262810525,
"density_atomic": 0.09096199110294637,
"volume": 395.7697007671803,
"volume_molar": 6.620502351563999,
"formula_full": "Na2 Ni4 H6 Se4 O20",
"formula_reduced": "NaNi2H3(SeO5)2",
"formula_anonymous": "AB2C2D3E10",
"energy": -208.19722254,
"energy_per_atom": -5.783256181666667,
"energy_above_hull": null,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.679000Z",
"spacegroup": 8
},
{
"id": "mp-1195989",
"created_at": "2022-09-04T14:43:21.063661Z",
"structure_string": "Tm6 Si22 Pt46\n1.0\n0.000000 8.501139 8.501139\n8.501139 0.000000 8.501139\n8.501139 8.501139 0.000000\nTm Si Pt\n6 22 46\ndirect\n0.000000 0.000000 0.500000 Tm\n0.500000 0.000000 0.500000 Tm\n0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.000000 0.500000 0.000000 Tm\n0.500000 0.000000 0.000000 Tm\n0.827713 0.827713 0.172287 Si\n0.172287 0.827713 0.172287 Si\n0.827713 0.172287 0.172287 Si\n0.172287 0.172287 0.827713 Si\n0.827713 0.172287 0.827713 Si\n0.172287 0.827713 0.827713 Si\n0.834831 0.834831 0.495508 Si\n0.834831 0.495508 0.834831 Si\n0.495508 0.834831 0.834831 Si\n0.834831 0.834831 0.834831 Si\n0.165169 0.165169 0.504492 Si\n0.165169 0.504492 0.165169 Si\n0.504492 0.165169 0.165169 Si\n0.165169 0.165169 0.165169 Si\n0.606540 0.606540 0.180379 Si\n0.606540 0.180379 0.606540 Si\n0.180379 0.606540 0.606540 Si\n0.606540 0.606540 0.606540 Si\n0.393460 0.393460 0.819621 Si\n0.393460 0.819621 0.393460 Si\n0.819621 0.393460 0.393460 Si\n0.393460 0.393460 0.393460 Si\n0.917291 0.917291 0.248128 Pt\n0.917291 0.248128 0.917291 Pt\n0.248128 0.917291 0.917291 Pt\n0.917291 0.917291 0.917291 Pt\n0.082709 0.082709 0.751872 Pt\n0.082709 0.751872 0.082709 Pt\n0.751872 0.082709 0.082709 Pt\n0.082709 0.082709 0.082709 Pt\n0.691939 0.691939 0.924183 Pt\n0.691939 0.924183 0.691939 Pt\n0.924183 0.691939 0.691939 Pt\n0.691939 0.691939 0.691939 Pt\n0.308061 0.308061 0.075817 Pt\n0.308061 0.075817 0.308061 Pt\n0.075817 0.308061 0.308061 Pt\n0.308061 0.308061 0.308061 Pt\n0.625027 0.625027 0.374973 Pt\n0.374973 0.625027 0.374973 Pt\n0.625027 0.374973 0.374973 Pt\n0.374973 0.374973 0.625027 Pt\n0.625027 0.374973 0.625027 Pt\n0.374973 0.625027 0.625027 Pt\n0.747848 0.082151 0.422154 Pt\n0.747848 0.747848 0.422154 Pt\n0.082151 0.747848 0.422154 Pt\n0.747848 0.422154 0.082151 Pt\n0.082151 0.422154 0.747848 Pt\n0.747848 0.422154 0.747848 Pt\n0.422154 0.747848 0.747848 Pt\n0.422154 0.082151 0.747848 Pt\n0.422154 0.747848 0.082151 Pt\n0.082151 0.747848 0.747848 Pt\n0.747848 0.747848 0.082151 Pt\n0.747848 0.082151 0.747848 Pt\n0.252152 0.917849 0.577846 Pt\n0.252152 0.252152 0.577846 Pt\n0.917849 0.252152 0.577846 Pt\n0.252152 0.577846 0.917849 Pt\n0.917849 0.577846 0.252152 Pt\n0.252152 0.577846 0.252152 Pt\n0.577846 0.252152 0.252152 Pt\n0.577846 0.917849 0.252152 Pt\n0.577846 0.252152 0.917849 Pt\n0.917849 0.252152 0.252152 Pt\n0.252152 0.252152 0.917849 Pt\n0.252152 0.917849 0.252152 Pt\n",
"nsites": 74,
"nelements": 3,
"elements": [
"Tm",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-Tm",
"density": 14.332196912691003,
"density_atomic": 0.06022410744610937,
"volume": 1228.7438226663264,
"volume_molar": 9.999551700104183,
"formula_full": "Tm6 Si22 Pt46",
"formula_reduced": "Tm3Si11Pt23",
"formula_anonymous": "A3B11C23",
"energy": -488.40872819,
"energy_per_atom": -6.600117948513513,
"energy_above_hull": null,
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"energy_uncorrected": -488.40872819,
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"updated_at": "2021-11-28T01:36:12.898000Z",
"spacegroup": 225
},
{
"id": "mp-643367",
"created_at": "2022-09-04T14:43:21.064081Z",
"structure_string": "Y2 C2 Br2\n1.0\n1.923387 3.540585 0.000000\n-1.923387 3.540585 0.000000\n0.000000 1.687397 9.901448\nY C Br\n2 2 2\ndirect\n0.407084 0.407084 0.855638 Y\n0.592916 0.592916 0.144362 Y\n0.087667 0.087667 0.963027 C\n0.912333 0.912333 0.036973 C\n0.796774 0.796774 0.665897 Br\n0.203226 0.203226 0.334103 Br\n",
"nsites": 6,
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"elements": [
"Y",
"C",
"Br"
],
"chemical_system": "Br-C-Y",
"density": 4.453038714645779,
"density_atomic": 0.04449188871274921,
"volume": 134.8560417099284,
"volume_molar": 13.535367758560334,
"formula_full": "Y2 C2 Br2",
"formula_reduced": "YCBr",
"formula_anonymous": "ABC",
"energy": -42.21165364,
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"energy_above_hull": null,
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"energy_uncorrected": -41.14365364,
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"updated_at": "2021-11-28T01:36:15.434000Z",
"spacegroup": 12
},
{
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