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{
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"results": [
{
"id": "mp-568477",
"created_at": "2022-09-04T14:48:14.496378Z",
"structure_string": "Rb8 Sb4 Br24\n1.0\n-5.491433 5.491433 11.123478\n5.491433 -5.491433 11.123478\n5.491433 5.491433 -11.123478\nRb Sb Br\n8 4 24\ndirect\n0.376807 0.359136 0.481600 Rb\n0.104793 0.623193 0.982328 Rb\n0.877536 0.895207 0.518400 Rb\n0.109136 0.127536 0.482328 Rb\n0.373193 0.890864 0.018400 Rb\n0.645207 0.626807 0.517672 Rb\n0.640864 0.122464 0.017672 Rb\n0.872464 0.354793 0.981600 Rb\n0.250000 0.750000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.750000 0.250000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.007552 0.775656 0.283407 Br\n0.015983 0.253565 0.263190 Br\n0.275855 0.992448 0.768104 Br\n0.003565 0.240375 0.737582 Br\n0.129878 0.629878 0.500000 Br\n0.257751 0.525855 0.783407 Br\n0.492249 0.724145 0.716593 Br\n0.502793 0.265983 0.262418 Br\n0.474145 0.257552 0.731896 Br\n0.620122 0.620122 0.000000 Br\n0.525656 0.742249 0.268104 Br\n0.124165 0.124165 0.000000 Br\n0.875835 0.875835 0.000000 Br\n0.990375 0.752793 0.736810 Br\n0.746435 0.009625 0.762418 Br\n0.247207 0.984017 0.237582 Br\n0.742448 0.474344 0.216593 Br\n0.224344 0.507751 0.231896 Br\n0.370122 0.870122 0.500000 Br\n0.874165 0.374165 0.500000 Br\n0.379878 0.379878 0.000000 Br\n0.625835 0.125835 0.500000 Br\n0.759625 0.497207 0.763190 Br\n0.734017 0.996435 0.236810 Br\n",
"nsites": 36,
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"elements": [
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],
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"formula_full": "Rb8 Sb4 Br24",
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"updated_at": "2021-11-28T01:38:44.769000Z",
"spacegroup": 88
},
{
"id": "mp-7135",
"created_at": "2022-09-04T14:48:19.923195Z",
"structure_string": "Tb2 S4\n1.0\n3.870371 0.000000 0.000000\n0.000000 3.870371 0.000000\n0.000000 0.000000 8.003959\nTb S\n2 4\ndirect\n0.000000 0.500000 0.274027 Tb\n0.500000 0.000000 0.725973 Tb\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.000000 S\n0.500000 0.000000 0.367922 S\n0.000000 0.500000 0.632078 S\n",
"nsites": 6,
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"elements": [
"Tb",
"S"
],
"chemical_system": "S-Tb",
"density": 6.1784806123685945,
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"volume": 119.89747833719979,
"volume_molar": 12.033991521927799,
"formula_full": "Tb2 S4",
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"formula_anonymous": "AB2",
"energy": -37.83434526,
"energy_per_atom": -6.30572421,
"energy_above_hull": null,
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"energy_uncorrected": -35.82234526,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:53.487000Z",
"spacegroup": 129
},
{
"id": "mp-1200820",
"created_at": "2022-09-04T14:48:15.526688Z",
"structure_string": "K6 Na2 Pt1 W6 O36\n1.0\n7.268355 -6.266791 0.000000\n7.268355 6.266791 0.000000\n1.865115 0.000000 9.413979\nK Na Pt W O\n6 2 1 6 36\ndirect\n0.324641 0.877104 0.324641 K\n0.877104 0.324641 0.324641 K\n0.324641 0.324641 0.877104 K\n0.675359 0.122896 0.675359 K\n0.122896 0.675359 0.675359 K\n0.675359 0.675359 0.122896 K\n0.601609 0.601609 0.601609 Na\n0.398391 0.398391 0.398391 Na\n0.000000 0.000000 0.000000 Pt\n0.261019 0.000000 0.738981 W\n0.738981 0.000000 0.261019 W\n0.000000 0.738981 0.261019 W\n0.000000 0.261019 0.738981 W\n0.738981 0.261019 0.000000 W\n0.261019 0.738981 0.000000 W\n0.901705 0.357026 0.901705 O\n0.357026 0.901705 0.901705 O\n0.901705 0.901705 0.357026 O\n0.098295 0.642974 0.098295 O\n0.642974 0.098295 0.098295 O\n0.098295 0.098295 0.642974 O\n0.134789 0.887714 0.134789 O\n0.887714 0.134789 0.134789 O\n0.134789 0.134789 0.887714 O\n0.865211 0.112286 0.865211 O\n0.112286 0.865211 0.865211 O\n0.865211 0.865211 0.112286 O\n0.685281 0.384771 0.130214 O\n0.130214 0.384771 0.685281 O\n0.384771 0.130214 0.685281 O\n0.384771 0.685281 0.130214 O\n0.130214 0.685281 0.384771 O\n0.685281 0.130214 0.384771 O\n0.314719 0.615229 0.869786 O\n0.869786 0.615229 0.314719 O\n0.615229 0.869786 0.314719 O\n0.615229 0.314719 0.869786 O\n0.869786 0.314719 0.615229 O\n0.314719 0.869786 0.615229 O\n0.803753 0.619037 0.803753 O\n0.619037 0.803753 0.803753 O\n0.803753 0.803753 0.619037 O\n0.196247 0.380963 0.196247 O\n0.380963 0.196247 0.196247 O\n0.196247 0.196247 0.380963 O\n0.649502 0.832317 0.649502 O\n0.832317 0.649502 0.649502 O\n0.649502 0.649502 0.832317 O\n0.350498 0.167683 0.350498 O\n0.167683 0.350498 0.350498 O\n0.350498 0.350498 0.167683 O\n",
"nsites": 51,
"nelements": 5,
"elements": [
"K",
"Na",
"Pt",
"W",
"O"
],
"chemical_system": "K-Na-O-Pt-W",
"density": 4.1720129710506315,
"density_atomic": 0.05946831227637478,
"volume": 857.599586196109,
"volume_molar": 10.12663808586416,
"formula_full": "K6 Na2 Pt1 W6 O36",
"formula_reduced": "K6Na2Pt(WO6)6",
"formula_anonymous": "AB2C6D6E36",
"energy": -328.57565166,
"energy_per_atom": -6.442659836470589,
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"updated_at": "2021-11-28T01:38:39.849000Z",
"spacegroup": 166
},
{
"id": "mp-29988",
"created_at": "2022-09-04T14:48:14.513750Z",
"structure_string": "Cs4 Pd8 Cl20\n1.0\n5.562177 0.000000 0.000000\n0.000000 10.951024 0.000000\n0.000000 0.000000 16.323295\nCs Pd Cl\n4 8 20\ndirect\n0.605203 0.750000 0.735366 Cs\n0.105203 0.250000 0.764634 Cs\n0.394797 0.250000 0.264634 Cs\n0.894797 0.750000 0.235366 Cs\n0.717878 0.415355 0.049741 Pd\n0.217878 0.584645 0.450259 Pd\n0.282122 0.915355 0.950259 Pd\n0.782122 0.084645 0.549741 Pd\n0.282122 0.584645 0.950259 Pd\n0.782122 0.415355 0.549741 Pd\n0.717878 0.084645 0.049741 Pd\n0.217878 0.915355 0.450259 Pd\n0.531464 0.418487 0.919998 Cl\n0.031464 0.581513 0.580002 Cl\n0.468536 0.918487 0.080002 Cl\n0.968536 0.081513 0.419998 Cl\n0.468536 0.581513 0.080002 Cl\n0.968536 0.418487 0.419998 Cl\n0.531464 0.081513 0.919998 Cl\n0.031464 0.918487 0.580002 Cl\n0.883883 0.426949 0.178592 Cl\n0.383883 0.573051 0.321408 Cl\n0.116117 0.926949 0.821408 Cl\n0.616117 0.073051 0.678592 Cl\n0.043158 0.750000 0.984748 Cl\n0.543158 0.250000 0.515252 Cl\n0.956842 0.250000 0.015252 Cl\n0.456842 0.750000 0.484748 Cl\n0.383883 0.926949 0.321408 Cl\n0.883883 0.073051 0.178592 Cl\n0.616117 0.426949 0.678592 Cl\n0.116117 0.573051 0.821408 Cl\n",
"nsites": 32,
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"elements": [
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"Pd",
"Cl"
],
"chemical_system": "Cl-Cs-Pd",
"density": 3.493913040398253,
"density_atomic": 0.03218419221002051,
"volume": 994.276935434062,
"volume_molar": 18.711486436266732,
"formula_full": "Cs4 Pd8 Cl20",
"formula_reduced": "CsPd2Cl5",
"formula_anonymous": "AB2C5",
"energy": -122.37496448,
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"updated_at": "2021-11-28T01:38:42.466000Z",
"spacegroup": 62
},
{
"id": "mp-1025156",
"created_at": "2022-09-04T14:48:14.529048Z",
"structure_string": "Np1 B6\n1.0\n4.091109 0.000000 0.000000\n0.000000 4.091109 0.000000\n0.000000 0.000000 4.091109\nNp B\n1 6\ndirect\n0.000000 0.000000 0.000000 Np\n0.197711 0.500000 0.500000 B\n0.802289 0.500000 0.500000 B\n0.500000 0.197711 0.500000 B\n0.500000 0.802289 0.500000 B\n0.500000 0.500000 0.197711 B\n0.500000 0.500000 0.802289 B\n",
"nsites": 7,
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"elements": [
"Np",
"B"
],
"chemical_system": "B-Np",
"density": 7.320489896840065,
"density_atomic": 0.10222918256549102,
"volume": 68.47359848070383,
"volume_molar": 5.8908235484931515,
"formula_full": "Np1 B6",
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"formula_anonymous": "AB6",
"energy": -54.90711786,
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"updated_at": "2021-11-28T01:38:46.542000Z",
"spacegroup": 221
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{
"id": "mp-601377",
"created_at": "2022-09-04T14:48:23.400818Z",
"structure_string": "Ba4 Te8 Mo8 H8 O48\n1.0\n7.517914 0.000000 0.000000\n0.000000 7.742889 0.000000\n0.000000 0.000000 19.126473\nBa Te Mo H O\n4 8 8 8 48\ndirect\n0.247249 0.842064 0.444416 Ba\n0.752751 0.342064 0.055584 Ba\n0.747249 0.657936 0.555584 Ba\n0.252751 0.157936 0.944416 Ba\n0.989674 0.383817 0.396925 Te\n0.510326 0.616183 0.896925 Te\n0.339363 0.586338 0.262086 Te\n0.839363 0.913662 0.737914 Te\n0.010326 0.883817 0.103075 Te\n0.660637 0.086338 0.237914 Te\n0.489674 0.116183 0.603075 Te\n0.160637 0.413662 0.762086 Te\n0.530290 0.862281 0.092609 Mo\n0.030290 0.637719 0.907391 Mo\n0.773463 0.559522 0.241677 Mo\n0.969710 0.137719 0.592609 Mo\n0.273463 0.940478 0.758323 Mo\n0.469710 0.362281 0.407391 Mo\n0.726537 0.440478 0.741677 Mo\n0.226537 0.059522 0.258323 Mo\n0.873131 0.984888 0.905122 H\n0.373131 0.515112 0.094878 H\n0.721578 0.093687 0.933660 H\n0.278422 0.593687 0.566340 H\n0.626869 0.015112 0.405122 H\n0.221578 0.406313 0.066340 H\n0.126869 0.484888 0.594878 H\n0.778422 0.906313 0.433660 H\n0.765315 0.959629 0.139788 O\n0.959217 0.501707 0.816046 O\n0.548961 0.642941 0.198526 O\n0.443948 0.899067 0.566337 O\n0.095589 0.062434 0.335071 O\n0.306092 0.777033 0.093053 O\n0.524888 0.022437 0.025454 O\n0.666288 0.253181 0.784645 O\n0.404411 0.937566 0.835071 O\n0.170485 0.198905 0.806199 O\n0.099654 0.899590 0.197880 O\n0.693908 0.277033 0.406947 O\n0.193908 0.222967 0.593053 O\n0.943948 0.600933 0.433663 O\n0.734685 0.040371 0.639788 O\n0.400346 0.100410 0.697880 O\n0.459217 0.998293 0.183954 O\n0.166288 0.246819 0.215355 O\n0.843223 0.308843 0.556552 O\n0.040783 0.001707 0.683954 O\n0.849564 0.097459 0.927160 O\n0.349564 0.402541 0.072840 O\n0.595589 0.437566 0.664929 O\n0.156777 0.808843 0.943448 O\n0.829515 0.698905 0.693801 O\n0.833712 0.746819 0.284645 O\n0.451039 0.142941 0.301474 O\n0.900346 0.399590 0.302120 O\n0.333712 0.753181 0.715355 O\n0.670485 0.301095 0.193801 O\n0.656777 0.691157 0.056552 O\n0.024888 0.477563 0.974546 O\n0.599654 0.600410 0.802120 O\n0.048961 0.857059 0.801474 O\n0.265315 0.540371 0.860212 O\n0.343223 0.191157 0.443448 O\n0.150436 0.597459 0.572840 O\n0.540783 0.498293 0.316046 O\n0.475112 0.522437 0.474546 O\n0.650436 0.902541 0.427160 O\n0.056052 0.100933 0.066337 O\n0.951039 0.357059 0.698526 O\n0.806092 0.722967 0.906947 O\n0.975112 0.977563 0.525454 O\n0.234685 0.459629 0.360212 O\n0.556052 0.399067 0.933663 O\n0.904411 0.562434 0.164929 O\n0.329515 0.801095 0.306199 O\n",
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"density_atomic": 0.06826189081442309,
"volume": 1113.3591392394,
"volume_molar": 8.82211243806856,
"formula_full": "Ba4 Te8 Mo8 H8 O48",
"formula_reduced": "BaTe2Mo2(HO6)2",
"formula_anonymous": "AB2C2D2E12",
"energy": -526.97621037,
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"spacegroup": 19
},
{
"id": "mp-1105353",
"created_at": "2022-09-04T14:48:19.954912Z",
"structure_string": "V2 Cd1 P2 O14\n1.0\n6.344736 -0.000415 0.221164\n-0.053559 6.119546 1.501534\n-0.031516 -0.518523 7.052175\nV Cd P O\n2 1 2 14\ndirect\n0.009898 0.104864 0.618221 V\n0.519707 0.648119 0.431523 V\n0.266719 0.912384 0.051014 Cd\n0.015026 0.627716 0.528148 P\n0.509471 0.122834 0.523504 P\n0.045077 0.145471 0.386987 O\n0.025936 0.791934 0.668322 O\n0.206236 0.653346 0.383600 O\n0.320873 0.095474 0.669766 O\n0.492436 0.966748 0.375253 O\n0.494992 0.628265 0.660506 O\n0.516601 0.352783 0.406703 O\n0.710822 0.078695 0.641742 O\n0.816859 0.666834 0.402427 O\n0.006550 0.401010 0.654016 O\n0.005245 0.066121 0.924604 O\n0.439295 0.497609 0.039700 O\n0.525415 0.708377 0.116985 O\n0.583882 0.373426 0.009110 O\n",
"nsites": 19,
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"elements": [
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},
{
"id": "mp-1006399",
"created_at": "2022-09-04T14:48:22.225329Z",
"structure_string": "Ce2 Zn2 In2\n1.0\n2.391548 -4.142282 0.000000\n2.391548 4.142282 0.000000\n0.000000 0.000000 7.374125\nCe Zn In\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.333333 0.666667 0.250000 In\n0.666667 0.333333 0.750000 In\n",
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{
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},
{
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{
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{
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"structure_string": "Al12 Si12 Pb8 O52\n1.0\n5.892232 0.000000 0.000000\n0.000000 10.950143 0.000000\n0.000000 0.000000 15.904283\nAl Si Pb O\n12 12 8 52\ndirect\n0.750000 0.840331 0.885248 Al\n0.750000 0.659669 0.385248 Al\n0.250000 0.159669 0.114752 Al\n0.250000 0.340331 0.614752 Al\n0.996179 0.684895 0.742062 Al\n0.503821 0.815105 0.242062 Al\n0.496179 0.315105 0.257938 Al\n0.003821 0.184895 0.757938 Al\n0.003821 0.315105 0.257938 Al\n0.496179 0.184895 0.757938 Al\n0.503821 0.684895 0.742062 Al\n0.996179 0.815105 0.242062 Al\n0.250000 0.913369 0.406405 Si\n0.250000 0.586631 0.906405 Si\n0.750000 0.086631 0.593595 Si\n0.750000 0.413369 0.093595 Si\n0.750000 0.792124 0.576107 Si\n0.750000 0.707876 0.076107 Si\n0.250000 0.207876 0.423893 Si\n0.250000 0.292124 0.923893 Si\n0.250000 0.931050 0.836803 Si\n0.250000 0.568950 0.336803 Si\n0.750000 0.068950 0.163197 Si\n0.750000 0.431050 0.663197 Si\n0.250000 0.946662 0.630615 Pb\n0.250000 0.553338 0.130615 Pb\n0.750000 0.053338 0.369385 Pb\n0.750000 0.446662 0.869385 Pb\n0.250000 0.637752 0.547349 Pb\n0.250000 0.862248 0.047349 Pb\n0.750000 0.362248 0.452651 Pb\n0.750000 0.137752 0.952651 Pb\n0.474491 0.887644 0.349450 O\n0.025509 0.612356 0.849450 O\n0.974491 0.112356 0.650550 O\n0.525509 0.387644 0.150550 O\n0.525509 0.112356 0.650550 O\n0.974491 0.387644 0.150550 O\n0.025509 0.887644 0.349450 O\n0.474491 0.612356 0.849450 O\n0.480044 0.920212 0.894960 O\n0.019956 0.579788 0.394960 O\n0.980044 0.079788 0.105040 O\n0.519956 0.420212 0.605040 O\n0.519956 0.079788 0.105040 O\n0.980044 0.420212 0.605040 O\n0.019956 0.920212 0.894960 O\n0.480044 0.579788 0.394960 O\n0.974951 0.754495 0.631635 O\n0.525049 0.745505 0.131635 O\n0.474951 0.245505 0.368365 O\n0.025049 0.254495 0.868365 O\n0.025049 0.245505 0.368365 O\n0.474951 0.254495 0.868365 O\n0.525049 0.754495 0.631635 O\n0.974951 0.745505 0.131635 O\n0.750000 0.775613 0.783019 O\n0.750000 0.724387 0.283019 O\n0.250000 0.224387 0.216981 O\n0.250000 0.275613 0.716981 O\n0.250000 0.815411 0.768279 O\n0.250000 0.684589 0.268279 O\n0.750000 0.184589 0.231721 O\n0.750000 0.315411 0.731721 O\n0.250000 0.063426 0.785661 O\n0.250000 0.436574 0.285661 O\n0.750000 0.936574 0.214339 O\n0.750000 0.563426 0.714339 O\n0.250000 0.838768 0.494798 O\n0.250000 0.661232 0.994798 O\n0.750000 0.161232 0.505202 O\n0.750000 0.338768 0.005202 O\n0.750000 0.725998 0.486542 O\n0.750000 0.774002 0.986542 O\n0.250000 0.274002 0.513458 O\n0.250000 0.225998 0.013458 O\n0.750000 0.941786 0.563450 O\n0.750000 0.558214 0.063450 O\n0.250000 0.058214 0.436550 O\n0.250000 0.441786 0.936550 O\n0.250000 0.599952 0.704035 O\n0.250000 0.900048 0.204035 O\n0.750000 0.400048 0.295965 O\n0.750000 0.099952 0.795965 O\n",
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}
]
}