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{
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"results": [
{
"id": "mp-1011375",
"created_at": "2022-09-04T14:48:05.704072Z",
"structure_string": "Ce1 Se2\n1.0\n-1.918613 1.918613 4.719616\n1.918613 -1.918613 4.719616\n1.918613 1.918613 -4.719616\nCe Se\n1 2\ndirect\n0.500000 0.500000 0.000000 Ce\n0.846455 0.846455 0.000000 Se\n0.153545 0.153545 0.000000 Se\n",
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"density": 7.121580729585028,
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"volume": 69.49305779786269,
"volume_molar": 13.94989919671816,
"formula_full": "Ce1 Se2",
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"formula_anonymous": "AB2",
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"spacegroup": 139
},
{
"id": "mp-8771",
"created_at": "2022-09-04T14:48:05.710642Z",
"structure_string": "Lu2 Ni3 B6\n1.0\n3.816193 -4.279529 0.000000\n3.816193 4.279529 0.000000\n0.000000 0.000000 3.430146\nLu Ni B\n2 3 6\ndirect\n0.275401 0.724599 0.000000 Lu\n0.724599 0.275401 0.000000 Lu\n0.771313 0.771313 0.000000 Ni\n0.228687 0.228687 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.611871 0.611871 0.500000 B\n0.388129 0.388129 0.500000 B\n0.615603 0.916910 0.500000 B\n0.384397 0.083090 0.500000 B\n0.916910 0.615603 0.500000 B\n0.083090 0.384397 0.500000 B\n",
"nsites": 11,
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"elements": [
"Lu",
"Ni",
"B"
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"chemical_system": "B-Lu-Ni",
"density": 8.757489578537509,
"density_atomic": 0.09818016995806002,
"volume": 112.03891788636045,
"volume_molar": 6.133764855543131,
"formula_full": "Lu2 Ni3 B6",
"formula_reduced": "Lu2(NiB2)3",
"formula_anonymous": "A2B3C6",
"energy": -73.04144795,
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"energy_uncorrected": -73.04144795,
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"updated_at": "2021-11-28T01:38:27.064000Z",
"spacegroup": 65
},
{
"id": "mp-1364201",
"created_at": "2022-09-04T14:48:05.717166Z",
"structure_string": "Li8 V16 O24 F24\n1.0\n10.175003 0.000000 0.000000\n-4.806701 9.086558 0.000000\n-0.598131 -5.751954 9.055992\nLi V O F\n8 16 24 24\ndirect\n0.267752 0.872313 0.325766 Li\n0.773442 0.875654 0.319189 Li\n0.803651 0.657122 0.560700 Li\n0.228333 0.356799 0.900580 Li\n0.270613 0.375478 0.322340 Li\n0.306143 0.158626 0.564146 Li\n0.761029 0.372013 0.331304 Li\n0.798097 0.156058 0.565414 Li\n0.472396 0.982288 0.514064 V\n0.021861 0.765609 0.747217 V\n0.515659 0.005804 0.990355 V\n0.012755 0.729536 0.226649 V\n0.970453 0.988199 0.517263 V\n0.521472 0.763700 0.749832 V\n0.016433 0.013624 0.998604 V\n0.498059 0.739320 0.243083 V\n0.476804 0.495974 0.511009 V\n0.021744 0.266407 0.743662 V\n0.520167 0.515625 0.006527 V\n0.001773 0.233923 0.239766 V\n0.976384 0.491628 0.516280 V\n0.521317 0.266336 0.745125 V\n0.008809 0.502850 0.992401 V\n0.508764 0.228390 0.230841 V\n0.246713 0.943542 0.623373 O\n0.042678 0.669146 0.870245 O\n0.040276 0.677687 0.379537 O\n0.454338 0.838032 0.625367 O\n0.457384 0.833121 0.137515 O\n0.747212 0.948508 0.631784 O\n0.054018 0.621296 0.125638 O\n0.546430 0.668608 0.868289 O\n0.548605 0.672505 0.375704 O\n0.948302 0.831690 0.621866 O\n0.964528 0.831023 0.139155 O\n0.549133 0.620918 0.119284 O\n0.237795 0.428771 0.630245 O\n0.055823 0.177538 0.872684 O\n0.041895 0.176554 0.381520 O\n0.450962 0.337224 0.622284 O\n0.463729 0.332122 0.138735 O\n0.746589 0.445920 0.628198 O\n0.049956 0.117671 0.119223 O\n0.535802 0.164413 0.870854 O\n0.537516 0.178041 0.381207 O\n0.945270 0.329598 0.620000 O\n0.969909 0.334779 0.128513 O\n0.556701 0.125549 0.125063 O\n0.252317 0.918920 0.138540 F\n0.438348 0.863818 0.883382 F\n0.423910 0.866428 0.382702 F\n0.059650 0.633710 0.618397 F\n0.753539 0.917598 0.134359 F\n0.257624 0.560973 0.861645 F\n0.950316 0.874257 0.886418 F\n0.248140 0.555324 0.365903 F\n0.909284 0.864028 0.396515 F\n0.573109 0.635907 0.615329 F\n0.256668 0.416259 0.131132 F\n0.753406 0.574506 0.866003 F\n0.755261 0.562694 0.370237 F\n0.435617 0.372406 0.884998 F\n0.409120 0.363405 0.397655 F\n0.067952 0.130596 0.622380 F\n0.747966 0.419191 0.143247 F\n0.254336 0.075129 0.862192 F\n0.936549 0.362867 0.882743 F\n0.253680 0.062528 0.367214 F\n0.916132 0.361328 0.388481 F\n0.575979 0.141615 0.609720 F\n0.762023 0.079451 0.862847 F\n0.747284 0.055393 0.368571 F\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.3924399509679883,
"density_atomic": 0.08599288455916794,
"volume": 837.2785768159684,
"volume_molar": 7.003068673497549,
"formula_full": "Li8 V16 O24 F24",
"formula_reduced": "LiV2(OF)3",
"formula_anonymous": "AB2C3D3",
"energy": -144.44673096999998,
"energy_per_atom": -2.006204596805555,
"energy_above_hull": null,
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"energy_uncorrected": -89.67073097,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.707000Z",
"spacegroup": 1
},
{
"id": "mp-1227341",
"created_at": "2022-09-04T14:48:05.718110Z",
"structure_string": "Ca2 Sc1 P3 Pt7\n1.0\n-2.034120 2.034120 13.755513\n2.034120 -2.034120 13.755513\n2.034120 2.034120 -13.755513\nCa Sc P Pt\n2 1 3 7\ndirect\n0.666594 0.666594 0.000000 Ca\n0.333406 0.333406 0.000000 Ca\n0.500000 0.500000 0.000000 Sc\n0.877147 0.877147 0.000000 P\n0.122853 0.122853 0.000000 P\n0.250000 0.750000 0.500000 P\n0.427296 0.927296 0.500000 Pt\n0.925721 0.425721 0.500000 Pt\n0.574279 0.074279 0.500000 Pt\n0.072704 0.572704 0.500000 Pt\n0.793378 0.793378 0.000000 Pt\n0.206622 0.206622 0.000000 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ca",
"Sc",
"P",
"Pt"
],
"chemical_system": "Ca-P-Pt-Sc",
"density": 11.550757895394833,
"density_atomic": 0.05710227739779463,
"volume": 227.66167292133392,
"volume_molar": 10.546235692225794,
"formula_full": "Ca2 Sc1 P3 Pt7",
"formula_reduced": "Ca2ScP3Pt7",
"formula_anonymous": "AB2C3D7",
"energy": -82.60709429,
"energy_per_atom": -6.354391868461539,
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"updated_at": "2021-11-28T01:38:26.308000Z",
"spacegroup": 119
},
{
"id": "mp-676991",
"created_at": "2022-09-04T14:48:05.718612Z",
"structure_string": "Na8 Al8 Si16 H16 O56\n1.0\n6.946853 9.798042 0.000000\n-6.946853 9.798042 0.000000\n0.000000 9.589156 9.850172\nNa Al Si H O\n8 8 16 16 56\ndirect\n0.087446 0.568510 0.677045 Na\n0.074047 0.925953 0.750000 Na\n0.431490 0.912554 0.822955 Na\n0.419638 0.580362 0.250000 Na\n0.580362 0.419638 0.750000 Na\n0.568510 0.087446 0.177045 Na\n0.925953 0.074047 0.250000 Na\n0.912554 0.431490 0.322955 Na\n0.213480 0.024499 0.035195 Al\n0.024499 0.213480 0.535195 Al\n0.274841 0.460396 0.799411 Al\n0.539604 0.725159 0.700589 Al\n0.460396 0.274841 0.299411 Al\n0.725159 0.539604 0.200589 Al\n0.975501 0.786520 0.464805 Al\n0.786520 0.975501 0.964805 Al\n0.081050 0.745854 0.214694 Si\n0.025354 0.275138 0.935825 Si\n0.209147 0.465113 0.257211 Si\n0.465113 0.209147 0.757211 Si\n0.261303 0.597996 0.954481 Si\n0.254146 0.918950 0.285306 Si\n0.597996 0.261303 0.454481 Si\n0.275138 0.025354 0.435825 Si\n0.724862 0.974646 0.564175 Si\n0.402004 0.738697 0.545519 Si\n0.745854 0.081050 0.714694 Si\n0.738697 0.402004 0.045519 Si\n0.534887 0.790853 0.242789 Si\n0.790853 0.534887 0.742789 Si\n0.974646 0.724862 0.064175 Si\n0.918950 0.254146 0.785306 Si\n0.050504 0.213600 0.262952 H\n0.354272 0.757114 0.059692 H\n0.213600 0.050504 0.762952 H\n0.330548 0.542521 0.506491 H\n0.108576 0.776554 0.670192 H\n0.457479 0.669452 0.993509 H\n0.242886 0.645728 0.440308 H\n0.223446 0.891424 0.829808 H\n0.776554 0.108576 0.170192 H\n0.757114 0.354272 0.559692 H\n0.542521 0.330548 0.006491 H\n0.891424 0.223446 0.329808 H\n0.669452 0.457479 0.493509 H\n0.786400 0.949496 0.237048 H\n0.645728 0.242886 0.940308 H\n0.949496 0.786400 0.737048 H\n0.208639 0.012538 0.170710 O\n0.073010 0.126800 0.023409 O\n0.083820 0.360623 0.377074 O\n0.121938 0.397616 0.860340 O\n0.167839 0.606217 0.265833 O\n0.194839 0.860281 0.074984 O\n0.017420 0.282981 0.816128 O\n0.976084 0.261572 0.243921 O\n0.139719 0.805161 0.425016 O\n0.131425 0.706584 0.953160 O\n0.012538 0.208639 0.670710 O\n0.360623 0.083820 0.877074 O\n0.230955 0.502968 0.112283 O\n0.272679 0.549427 0.474094 O\n0.450573 0.727321 0.025906 O\n0.261572 0.976084 0.743921 O\n0.278751 0.503251 0.898811 O\n0.502968 0.230955 0.612283 O\n0.393227 0.692865 0.861706 O\n0.126800 0.073010 0.523409 O\n0.393783 0.832161 0.234167 O\n0.346213 0.408899 0.267102 O\n0.717019 0.982580 0.683872 O\n0.602384 0.878062 0.639660 O\n0.503251 0.278751 0.398811 O\n0.293416 0.868575 0.546840 O\n0.307135 0.606773 0.638294 O\n0.408899 0.346213 0.767102 O\n0.591101 0.653787 0.232898 O\n0.692865 0.393227 0.361706 O\n0.706584 0.131425 0.453160 O\n0.496749 0.721249 0.601189 O\n0.397616 0.121938 0.360340 O\n0.282981 0.017420 0.316128 O\n0.653787 0.591101 0.732898 O\n0.606217 0.167839 0.765833 O\n0.873200 0.926990 0.476591 O\n0.606773 0.307135 0.138294 O\n0.497032 0.769045 0.387717 O\n0.721249 0.496749 0.101189 O\n0.738428 0.023916 0.256079 O\n0.549427 0.272679 0.974094 O\n0.727321 0.450573 0.525906 O\n0.769045 0.497032 0.887717 O\n0.639377 0.916180 0.122926 O\n0.987462 0.791361 0.329290 O\n0.868575 0.293416 0.046840 O\n0.860281 0.194839 0.574984 O\n0.023916 0.738428 0.756079 O\n0.982580 0.717019 0.183872 O\n0.805161 0.139719 0.925016 O\n0.832161 0.393783 0.734167 O\n0.878062 0.602384 0.139660 O\n0.916180 0.639377 0.622926 O\n0.926990 0.873200 0.976591 O\n0.791361 0.987462 0.829290 O\n",
"nsites": 104,
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"H",
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"density_atomic": 0.07755898623216038,
"volume": 1340.9148965497393,
"volume_molar": 7.764594475195548,
"formula_full": "Na8 Al8 Si16 H16 O56",
"formula_reduced": "NaAlSi2H2O7",
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"energy": -741.69901493,
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"updated_at": "2021-11-28T01:38:28.862000Z",
"spacegroup": 15
},
{
"id": "mp-1227440",
"created_at": "2022-09-04T14:48:05.721803Z",
"structure_string": "Bi2 Sb2 Te3 Se3\n1.0\n20.418077 -2.127710 0.000000\n20.418077 2.127710 0.000000\n20.196354 0.000000 3.678626\nBi Sb Te Se\n2 2 3 3\ndirect\n0.198537 0.198537 0.198537 Bi\n0.696124 0.696124 0.696124 Bi\n0.302001 0.302001 0.302001 Sb\n0.804600 0.804600 0.804600 Sb\n0.392659 0.392659 0.392659 Te\n0.606993 0.606993 0.606993 Te\n0.109476 0.109476 0.109476 Te\n0.998507 0.998507 0.998507 Se\n0.500774 0.500774 0.500774 Se\n0.890329 0.890329 0.890329 Se\n",
"nsites": 10,
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"elements": [
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"Te",
"Se"
],
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"density": 6.655946703124841,
"density_atomic": 0.031286508259640446,
"volume": 319.62659166091686,
"volume_molar": 19.248363256210833,
"formula_full": "Bi2 Sb2 Te3 Se3",
"formula_reduced": "Bi2Sb2(TeSe)3",
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"energy": -41.27347196000001,
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"updated_at": "2021-11-28T01:38:24.055000Z",
"spacegroup": 160
},
{
"id": "mp-760339",
"created_at": "2022-09-04T14:48:05.722472Z",
"structure_string": "Li2 V1 F4\n1.0\n-2.086303 2.086303 4.499705\n2.086303 -2.086303 4.499705\n2.086303 2.086303 -4.499705\nLi V F\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.000000 0.000000 0.000000 V\n0.765789 0.765789 0.000000 F\n0.234211 0.234211 0.000000 F\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n",
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"elements": [
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"volume": 78.34274760151678,
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"formula_full": "Li2 V1 F4",
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{
"id": "mp-1099704",
"created_at": "2022-09-04T14:48:05.722489Z",
"structure_string": "La28 Sm4 Mn28 Fe4 O80\n1.0\n-0.000779 0.002265 11.407891\n11.854325 0.002326 -0.000630\n-5.923710 15.759674 -5.700065\nLa Sm Mn Fe O\n28 4 28 4 80\ndirect\n0.296010 0.062468 0.110162 La\n0.298773 0.064526 0.611133 La\n0.298750 0.564976 0.611877 La\n0.798659 0.064940 0.611709 La\n0.802608 0.565477 0.109530 La\n0.798949 0.565047 0.612118 La\n0.187042 0.433726 0.387788 La\n0.183872 0.436572 0.891145 La\n0.186127 0.934495 0.386530 La\n0.188094 0.934600 0.888864 La\n0.686791 0.435256 0.387734 La\n0.686244 0.934685 0.387585 La\n0.686704 0.936895 0.891005 La\n0.047151 0.294248 0.111232 La\n0.048859 0.297646 0.612219 La\n0.048424 0.796613 0.611407 La\n0.548867 0.294670 0.110549 La\n0.548802 0.298537 0.613602 La\n0.550057 0.796849 0.111067 La\n0.548896 0.796320 0.611682 La\n0.436996 0.202754 0.387667 La\n0.440334 0.205748 0.888896 La\n0.435832 0.702047 0.386142 La\n0.438544 0.704108 0.889546 La\n0.935250 0.202129 0.386542 La\n0.934845 0.205067 0.889777 La\n0.935933 0.702895 0.387117 La\n0.934054 0.704062 0.890259 La\n0.292336 0.566320 0.109985 Sm\n0.797340 0.066262 0.109850 Sm\n0.689884 0.434469 0.891398 Sm\n0.046708 0.794104 0.110386 Sm\n0.001282 0.000044 0.499497 Mn\n0.001405 0.499860 0.499663 Mn\n0.501120 0.999747 0.499504 Mn\n0.503112 0.502084 0.001595 Mn\n0.501389 0.499906 0.499812 Mn\n0.252603 0.250851 0.001292 Mn\n0.250945 0.249475 0.499362 Mn\n0.251521 0.750052 0.001149 Mn\n0.251452 0.749643 0.499517 Mn\n0.752390 0.250134 0.000952 Mn\n0.751236 0.250201 0.500124 Mn\n0.750852 0.749709 0.499402 Mn\n0.103829 0.096155 0.247271 Mn\n0.108726 0.100589 0.751161 Mn\n0.109096 0.598764 0.248964 Mn\n0.107948 0.598964 0.751095 Mn\n0.608214 0.098274 0.248514 Mn\n0.608417 0.100551 0.750610 Mn\n0.604085 0.598593 0.246441 Mn\n0.608487 0.598866 0.752425 Mn\n0.357218 0.400998 0.247705 Mn\n0.359919 0.401326 0.751972 Mn\n0.354740 0.897467 0.247179 Mn\n0.358357 0.901697 0.750688 Mn\n0.856931 0.400162 0.248841 Mn\n0.856141 0.401253 0.751514 Mn\n0.858259 0.901067 0.247309 Mn\n0.857977 0.901468 0.751379 Mn\n0.003010 0.998594 0.001666 Fe\n0.002969 0.501408 0.001652 Fe\n0.504011 0.999936 0.000299 Fe\n0.754495 0.751793 0.000846 Fe\n0.109531 0.116304 0.472933 O\n0.110211 0.115272 0.976668 O\n0.109495 0.617112 0.473633 O\n0.110202 0.618921 0.979947 O\n0.609660 0.116195 0.472920 O\n0.609593 0.118899 0.975671 O\n0.609877 0.617490 0.474682 O\n0.615595 0.619494 0.974189 O\n0.135448 0.386075 0.026301 O\n0.136140 0.383213 0.525906 O\n0.132056 0.880114 0.028442 O\n0.135690 0.882750 0.524594 O\n0.636029 0.383423 0.023898 O\n0.635498 0.382923 0.525920 O\n0.639710 0.889249 0.025823 O\n0.636321 0.883492 0.525669 O\n0.359604 0.106650 0.473694 O\n0.363906 0.106504 0.975734 O\n0.360067 0.606986 0.474067 O\n0.359165 0.605477 0.973172 O\n0.860135 0.107597 0.474338 O\n0.861517 0.105964 0.977628 O\n0.860070 0.607371 0.474036 O\n0.859602 0.604590 0.974096 O\n0.384979 0.399488 0.030596 O\n0.385424 0.391585 0.524387 O\n0.387719 0.891541 0.025504 O\n0.386529 0.892456 0.526157 O\n0.885833 0.391013 0.021762 O\n0.885967 0.392817 0.525704 O\n0.888266 0.892979 0.029656 O\n0.885264 0.891632 0.524203 O\n0.104489 0.121859 0.140694 O\n0.104320 0.121411 0.641121 O\n0.106937 0.623087 0.140766 O\n0.104161 0.621311 0.641484 O\n0.612866 0.121166 0.141342 O\n0.604118 0.122389 0.640915 O\n0.612795 0.623570 0.140778 O\n0.604835 0.620127 0.642471 O\n0.462774 0.379411 0.357760 O\n0.474306 0.379899 0.859219 O\n0.460473 0.878141 0.357981 O\n0.461058 0.879400 0.859995 O\n0.962659 0.378308 0.358532 O\n0.962336 0.379533 0.860253 O\n0.962904 0.878490 0.357039 O\n0.962129 0.879238 0.860850 O\n0.356155 0.266568 0.140944 O\n0.355012 0.270288 0.641551 O\n0.358176 0.764929 0.140435 O\n0.354322 0.770064 0.641296 O\n0.853913 0.268014 0.140234 O\n0.853180 0.270628 0.641804 O\n0.861913 0.769761 0.140324 O\n0.854713 0.770367 0.641590 O\n0.211110 0.227343 0.356994 O\n0.216471 0.231577 0.860546 O\n0.214336 0.730315 0.358492 O\n0.212481 0.730597 0.860143 O\n0.712778 0.230266 0.358349 O\n0.713956 0.231964 0.859862 O\n0.709829 0.728624 0.357423 O\n0.711917 0.732373 0.860868 O\n0.422738 0.066427 0.249110 O\n0.422996 0.070056 0.750562 O\n0.415521 0.569204 0.243724 O\n0.421948 0.569351 0.750082 O\n0.915870 0.069852 0.244433 O\n0.923069 0.069819 0.750848 O\n0.924384 0.567892 0.249376 O\n0.921982 0.568802 0.750973 O\n0.172837 0.430457 0.249729 O\n0.173673 0.430954 0.751430 O\n0.166051 0.925171 0.244031 O\n0.172479 0.931639 0.750368 O\n0.671498 0.431734 0.249251 O\n0.672505 0.431392 0.756377 O\n0.673797 0.930514 0.249560 O\n0.672258 0.931994 0.750263 O\n",
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"elements": [
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"formula_full": "La28 Sm4 Mn28 Fe4 O80",
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"updated_at": "2021-11-28T01:38:28.983000Z",
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},
{
"id": "mp-558332",
"created_at": "2022-09-04T14:48:05.724630Z",
"structure_string": "K10 Au2 I4 O4\n1.0\n5.600073 0.000000 0.000000\n0.000000 7.347813 0.000000\n0.000000 0.000000 14.260656\nK Au I O\n10 2 4 4\ndirect\n0.500000 0.329960 0.601313 K\n0.500000 0.170040 0.101313 K\n0.000000 0.600423 0.738123 K\n0.000000 0.500000 0.000000 K\n0.500000 0.670040 0.398687 K\n0.500000 0.829960 0.898687 K\n0.000000 0.899577 0.238123 K\n0.000000 0.399577 0.261877 K\n0.000000 0.100423 0.761877 K\n0.000000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.500000 0.650064 0.145644 I\n0.500000 0.349936 0.854356 I\n0.500000 0.150064 0.354356 I\n0.500000 0.849936 0.645644 I\n0.000000 0.680666 0.389766 O\n0.000000 0.819334 0.889766 O\n0.000000 0.180666 0.110234 O\n0.000000 0.319334 0.610234 O\n",
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{
"id": "mp-989541",
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"structure_string": "Rb2 Na1 Sb1 F6\n1.0\n0.000000 4.531817 4.531817\n4.531817 0.000000 4.531817\n4.531817 4.531817 0.000000\nRb Na Sb F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.756298 0.243702 0.243702 F\n0.243702 0.243702 0.756298 F\n0.243702 0.756298 0.756298 F\n0.243702 0.756298 0.243702 F\n0.756298 0.243702 0.756298 F\n0.756298 0.756298 0.243702 F\n",
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{
"id": "mp-984519",
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"structure_string": "Na8 As8 Se16\n1.0\n6.067504 0.000000 0.000000\n0.000000 11.807558 0.000000\n0.000000 0.175829 12.133004\nNa As Se\n8 8 16\ndirect\n0.008099 0.763231 0.248216 Na\n0.991901 0.763231 0.748216 Na\n0.498813 0.522591 0.738803 Na\n0.501187 0.522591 0.238803 Na\n0.523771 0.022923 0.763631 Na\n0.476229 0.022923 0.263631 Na\n0.478055 0.261552 0.500051 Na\n0.521945 0.261552 0.000051 Na\n0.457381 0.754987 0.964346 As\n0.542619 0.754987 0.464346 As\n0.083255 0.996380 0.990736 As\n0.916745 0.996380 0.490736 As\n0.072466 0.256283 0.774771 As\n0.927534 0.256283 0.274771 As\n0.027922 0.498002 0.954505 As\n0.972078 0.498002 0.454505 As\n0.001032 0.505513 0.259397 Se\n0.998968 0.505513 0.759397 Se\n0.422582 0.535422 0.989783 Se\n0.577418 0.535422 0.489783 Se\n0.488392 0.772809 0.770123 Se\n0.511608 0.772809 0.270123 Se\n0.024409 0.036081 0.792499 Se\n0.975591 0.036081 0.292499 Se\n0.026243 0.283980 0.977716 Se\n0.973757 0.283980 0.477716 Se\n0.459378 0.270821 0.750532 Se\n0.540622 0.270821 0.250532 Se\n0.052641 0.781913 0.995921 Se\n0.947359 0.781913 0.495921 Se\n0.528604 0.005023 0.512601 Se\n0.471396 0.005023 0.012601 Se\n",
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"formula_full": "Na8 As8 Se16",
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{
"id": "mp-1215889",
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"structure_string": "Zr3 Ti2 Pb5 O15\n1.0\n2.920938 8.726242 0.000000\n-2.920938 8.726242 0.000000\n0.000000 1.960681 7.032755\nZr Ti Pb O\n3 2 5 15\ndirect\n0.998635 0.998635 0.972163 Zr\n0.598677 0.598677 0.571612 Zr\n0.201257 0.201257 0.169731 Zr\n0.801897 0.801897 0.761329 Ti\n0.402614 0.402614 0.362165 Ti\n0.799417 0.799417 0.220272 Pb\n0.393714 0.393714 0.822795 Pb\n0.993485 0.993485 0.437110 Pb\n0.607473 0.607473 0.021799 Pb\n0.208379 0.208379 0.625240 Pb\n0.697937 0.195314 0.214487 O\n0.314985 0.790590 0.805234 O\n0.914976 0.396794 0.401443 O\n0.516156 0.990111 0.992564 O\n0.098850 0.598661 0.606133 O\n0.195314 0.697937 0.214487 O\n0.790590 0.314985 0.805234 O\n0.396794 0.914976 0.401443 O\n0.990111 0.516156 0.992564 O\n0.598661 0.098850 0.606133 O\n0.092317 0.092317 0.115844 O\n0.700825 0.700825 0.710316 O\n0.302037 0.302037 0.311591 O\n0.893696 0.893696 0.898083 O\n0.491205 0.491205 0.503229 O\n",
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"formula_full": "Zr3 Ti2 Pb5 O15",
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"updated_at": "2021-11-28T01:38:27.396000Z",
"spacegroup": 8
}
]
}