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{
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"results": [
{
"id": "mp-1076683",
"created_at": "2022-09-04T14:41:56.551995Z",
"structure_string": "Ba12 Sr20 Co16 Cu16 O80\n1.0\n0.011557 0.011166 11.215141\n11.165494 -0.010398 0.012440\n-5.602968 16.257932 -5.599077\nBa Sr Co Cu O\n12 20 16 16 80\ndirect\n0.307814 0.058212 0.118696 Ba\n0.308788 0.557624 0.118522 Ba\n0.805003 0.058286 0.119194 Ba\n0.808372 0.554912 0.117066 Ba\n0.187698 0.943657 0.381921 Ba\n0.184538 0.938686 0.874841 Ba\n0.686744 0.433858 0.874907 Ba\n0.056186 0.312253 0.117933 Ba\n0.058095 0.810172 0.116879 Ba\n0.557112 0.309408 0.118273 Ba\n0.559166 0.811636 0.118660 Ba\n0.935332 0.687226 0.874937 Ba\n0.303396 0.059493 0.614775 Sr\n0.309594 0.559242 0.614384 Sr\n0.807231 0.058582 0.614325 Sr\n0.801880 0.558788 0.612653 Sr\n0.194470 0.444511 0.390293 Sr\n0.193836 0.439691 0.883221 Sr\n0.694057 0.444403 0.389782 Sr\n0.694597 0.944120 0.389485 Sr\n0.691467 0.942568 0.884544 Sr\n0.052414 0.305441 0.613505 Sr\n0.055561 0.802700 0.612459 Sr\n0.557388 0.305103 0.612824 Sr\n0.555349 0.802505 0.612481 Sr\n0.442865 0.195462 0.389210 Sr\n0.440402 0.191884 0.884088 Sr\n0.445204 0.695806 0.390196 Sr\n0.445207 0.693351 0.883548 Sr\n0.943342 0.195384 0.390087 Sr\n0.942030 0.193042 0.884540 Sr\n0.942442 0.693353 0.389837 Sr\n0.991494 0.997857 0.992174 Co\n0.999999 0.000792 0.504787 Co\n0.991642 0.490076 0.988041 Co\n0.002042 0.500193 0.502795 Co\n0.494070 0.994486 0.985461 Co\n0.502224 0.002321 0.504854 Co\n0.494405 0.492715 0.989062 Co\n0.500741 0.499813 0.501681 Co\n0.243104 0.245468 0.988474 Co\n0.251787 0.254408 0.505804 Co\n0.247814 0.743894 0.989788 Co\n0.252662 0.751155 0.503662 Co\n0.742764 0.242072 0.989171 Co\n0.751112 0.250982 0.502026 Co\n0.743311 0.745419 0.990199 Co\n0.750551 0.752419 0.502618 Co\n0.118840 0.111310 0.253922 Cu\n0.111980 0.102939 0.746128 Cu\n0.121327 0.603408 0.257263 Cu\n0.118895 0.594388 0.745917 Cu\n0.622716 0.110875 0.258442 Cu\n0.612321 0.094296 0.747834 Cu\n0.620913 0.607341 0.256825 Cu\n0.611186 0.602661 0.746256 Cu\n0.371558 0.399104 0.256855 Cu\n0.361094 0.397467 0.747592 Cu\n0.374322 0.898238 0.254470 Cu\n0.367368 0.899540 0.746161 Cu\n0.870262 0.398203 0.256576 Cu\n0.867873 0.391936 0.744032 Cu\n0.868924 0.897276 0.255876 Cu\n0.858118 0.903722 0.747714 Cu\n0.130887 0.136303 0.499107 O\n0.126755 0.136143 0.993117 O\n0.132349 0.632230 0.497389 O\n0.133419 0.630992 0.992497 O\n0.630423 0.132686 0.495684 O\n0.620844 0.123698 0.991607 O\n0.631919 0.632622 0.496250 O\n0.630053 0.629738 0.992920 O\n0.115056 0.383369 0.995802 O\n0.119816 0.385837 0.506248 O\n0.111192 0.885777 0.997438 O\n0.117610 0.885300 0.508090 O\n0.611188 0.377561 0.995732 O\n0.619893 0.386092 0.506496 O\n0.610885 0.880450 0.997104 O\n0.619179 0.886610 0.506797 O\n0.384367 0.116414 0.498995 O\n0.377250 0.111124 0.991105 O\n0.382226 0.613402 0.495894 O\n0.382211 0.611597 0.992204 O\n0.879826 0.113056 0.495658 O\n0.875513 0.113694 0.994401 O\n0.882284 0.613022 0.496856 O\n0.882216 0.611734 0.992916 O\n0.362429 0.364720 0.996733 O\n0.369508 0.370400 0.506136 O\n0.364009 0.863934 0.995411 O\n0.370179 0.870857 0.507897 O\n0.869388 0.365939 0.996063 O\n0.869994 0.370974 0.507061 O\n0.860397 0.866290 0.997875 O\n0.869116 0.870359 0.507311 O\n0.065237 0.082907 0.141304 O\n0.067090 0.089924 0.635032 O\n0.074197 0.582846 0.146203 O\n0.080420 0.588695 0.637021 O\n0.572142 0.083786 0.147057 O\n0.576577 0.089596 0.638507 O\n0.572740 0.580794 0.144665 O\n0.569584 0.588101 0.635002 O\n0.442424 0.410443 0.366602 O\n0.428262 0.411297 0.859618 O\n0.441221 0.908989 0.363950 O\n0.436047 0.914771 0.858672 O\n0.941453 0.409432 0.366194 O\n0.938246 0.410947 0.856723 O\n0.930228 0.906688 0.365552 O\n0.925705 0.926407 0.861276 O\n0.321815 0.314288 0.144628 O\n0.325578 0.301688 0.636363 O\n0.324628 0.811768 0.142212 O\n0.328411 0.796810 0.635755 O\n0.819679 0.313143 0.144336 O\n0.821521 0.293004 0.633308 O\n0.822347 0.812216 0.143641 O\n0.824357 0.801069 0.637802 O\n0.190328 0.205301 0.364552 O\n0.185630 0.195547 0.859220 O\n0.192922 0.696215 0.367969 O\n0.191575 0.684929 0.858334 O\n0.693032 0.207873 0.368236 O\n0.685351 0.182552 0.860311 O\n0.690763 0.705492 0.366932 O\n0.676593 0.697078 0.859621 O\n0.474094 0.045097 0.262537 O\n0.450444 0.054251 0.748211 O\n0.471558 0.543813 0.262541 O\n0.451187 0.548831 0.748647 O\n0.975939 0.039135 0.263756 O\n0.950989 0.053270 0.749198 O\n0.969728 0.543151 0.261402 O\n0.958370 0.531105 0.735954 O\n0.220365 0.463692 0.261762 O\n0.199900 0.439161 0.746502 O\n0.228030 0.979495 0.251582 O\n0.207180 0.959353 0.736441 O\n0.721189 0.468066 0.262359 O\n0.712867 0.464029 0.738690 O\n0.721834 0.971565 0.262004 O\n0.694841 0.940332 0.746492 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Co",
"Cu",
"O"
],
"chemical_system": "Ba-Co-Cu-O-Sr",
"density": 5.415723279689168,
"density_atomic": 0.07073030017616422,
"volume": 2035.9025713357191,
"volume_molar": 8.514230457103919,
"formula_full": "Ba12 Sr20 Co16 Cu16 O80",
"formula_reduced": "Ba3Sr5Co4(CuO5)4",
"formula_anonymous": "A3B4C4D5E20",
"energy": -914.83442389,
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"updated_at": "2021-11-28T01:35:39.577000Z",
"spacegroup": 1
},
{
"id": "mp-646",
"created_at": "2022-09-04T14:41:54.957284Z",
"structure_string": "Pr1 Cd1\n1.0\n3.885332 0.000000 0.000000\n0.000000 3.885332 0.000000\n0.000000 0.000000 3.885332\nPr Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Cd"
],
"chemical_system": "Cd-Pr",
"density": 7.171860893736407,
"density_atomic": 0.03409930996248841,
"volume": 58.652213261797314,
"volume_molar": 17.66059420740411,
"formula_full": "Pr1 Cd1",
"formula_reduced": "PrCd",
"formula_anonymous": "AB",
"energy": -6.3384441,
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"updated_at": "2021-11-28T01:35:30.246000Z",
"spacegroup": 221
},
{
"id": "mp-1093982",
"created_at": "2022-09-04T14:42:15.431099Z",
"structure_string": "Ti1 Cd1 Pd2\n1.0\n-4.956240 6.534815 9.213601\n4.956240 -6.534815 9.213601\n4.956240 6.534815 -9.213601\nTi Cd Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Cd\n0.000000 0.222410 0.222410 Pd\n0.000000 0.777590 0.777590 Pd\n",
"nsites": 4,
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"elements": [
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"Cd",
"Pd"
],
"chemical_system": "Cd-Pd-Ti",
"density": 0.5190632484374981,
"density_atomic": 0.003351081369983435,
"volume": 1193.6445458558867,
"volume_molar": 179.70738681376062,
"formula_full": "Ti1 Cd1 Pd2",
"formula_reduced": "TiCdPd2",
"formula_anonymous": "ABC2",
"energy": -13.19371494,
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"updated_at": "2021-11-28T01:35:37.106000Z",
"spacegroup": 71
},
{
"id": "mp-1200809",
"created_at": "2022-09-04T14:41:54.943401Z",
"structure_string": "Pr10 Sn20 Ir8\n1.0\n14.192696 0.000000 0.000000\n0.000000 14.192696 0.000000\n0.000000 0.000000 4.702576\nPr Sn Ir\n10 20 8\ndirect\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Pr\n0.676474 0.176474 0.500000 Pr\n0.323526 0.823526 0.500000 Pr\n0.176474 0.323526 0.500000 Pr\n0.823526 0.676474 0.500000 Pr\n0.887495 0.387495 0.500000 Pr\n0.112505 0.612505 0.500000 Pr\n0.387495 0.112505 0.500000 Pr\n0.612505 0.887495 0.500000 Pr\n0.569572 0.069572 0.000000 Sn\n0.430428 0.930428 0.000000 Sn\n0.069572 0.430428 0.000000 Sn\n0.930428 0.569572 0.000000 Sn\n0.655235 0.698167 0.000000 Sn\n0.344765 0.301833 0.000000 Sn\n0.155235 0.801833 0.000000 Sn\n0.844765 0.198167 0.000000 Sn\n0.301833 0.655235 0.000000 Sn\n0.698167 0.344765 0.000000 Sn\n0.198167 0.155235 0.000000 Sn\n0.801833 0.844765 0.000000 Sn\n0.663424 0.505542 0.500000 Sn\n0.336576 0.494458 0.500000 Sn\n0.163424 0.994458 0.500000 Sn\n0.836576 0.005542 0.500000 Sn\n0.494458 0.663424 0.500000 Sn\n0.505542 0.336576 0.500000 Sn\n0.005542 0.163424 0.500000 Sn\n0.994458 0.836576 0.500000 Sn\n0.746138 0.527334 0.000000 Ir\n0.253862 0.472666 0.000000 Ir\n0.246138 0.972666 0.000000 Ir\n0.753862 0.027334 0.000000 Ir\n0.472666 0.746138 0.000000 Ir\n0.527334 0.253862 0.000000 Ir\n0.027334 0.246138 0.000000 Ir\n0.972666 0.753862 0.000000 Ir\n",
"nsites": 38,
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"elements": [
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],
"chemical_system": "Ir-Pr-Sn",
"density": 9.327768359723782,
"density_atomic": 0.04011603231935727,
"volume": 947.252203246027,
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"formula_full": "Pr10 Sn20 Ir8",
"formula_reduced": "Pr5(Sn5Ir2)2",
"formula_anonymous": "A4B5C10",
"energy": -224.05887952,
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"updated_at": "2021-11-28T01:35:36.662000Z",
"spacegroup": 127
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{
"id": "mp-1180134",
"created_at": "2022-09-04T14:41:56.428189Z",
"structure_string": "Ni3 Cl6 O12\n1.0\n6.582652 0.000000 0.000000\n0.419195 6.645813 0.000000\n1.653537 0.207332 12.156502\nNi Cl O\n3 6 12\ndirect\n0.582561 0.595167 0.505786 Ni\n0.998311 0.001681 0.294159 Ni\n0.974740 0.008481 0.802141 Ni\n0.997999 0.496855 0.960409 Cl\n0.534044 0.001080 0.917752 Cl\n0.913502 0.524197 0.499287 Cl\n0.516051 0.916601 0.500253 Cl\n0.489915 0.463905 0.362623 Cl\n0.464857 0.468467 0.664141 Cl\n0.081835 0.040290 0.023874 O\n0.954271 0.977588 0.969373 O\n0.966836 0.055752 0.451082 O\n0.055518 0.938696 0.513030 O\n0.792347 0.004723 0.237765 O\n0.226970 0.964082 0.231197 O\n0.089664 0.433295 0.222233 O\n0.942293 0.555763 0.237786 O\n0.239359 0.028694 0.761788 O\n0.699211 0.006125 0.806973 O\n0.030074 0.567273 0.733660 O\n0.949641 0.451285 0.804687 O\n",
"nsites": 21,
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"elements": [
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"Cl",
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"chemical_system": "Cl-Ni-O",
"density": 1.8134740121968858,
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"volume": 531.8113954450064,
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"formula_full": "Ni3 Cl6 O12",
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"energy": -83.81244576,
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{
"id": "mp-1100460",
"created_at": "2022-09-04T14:41:56.370861Z",
"structure_string": "Mg2 Si4\n1.0\n3.666829 0.000000 0.000000\n0.000000 4.266221 0.000000\n0.000000 1.940992 6.402517\nMg Si\n2 4\ndirect\n0.750000 0.405051 0.688347 Mg\n0.250000 0.594949 0.311653 Mg\n0.250000 0.930958 0.639492 Si\n0.250000 0.229510 0.031581 Si\n0.750000 0.770490 0.968419 Si\n0.750000 0.069042 0.360508 Si\n",
"nsites": 6,
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"elements": [
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],
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"density": 2.6684601911008206,
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"volume": 100.15779314929462,
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"formula_full": "Mg2 Si4",
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"formula_anonymous": "AB2",
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"total_magnetization": 6.22e-05,
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"updated_at": "2021-11-28T01:35:30.591000Z",
"spacegroup": 11
},
{
"id": "mp-1079402",
"created_at": "2022-09-04T14:41:56.523096Z",
"structure_string": "Ce2 Si4 Ir2\n1.0\n2.104517 -8.414842 0.000000\n2.104517 8.414842 0.000000\n0.000000 0.000000 4.186458\nCe Si Ir\n2 4 2\ndirect\n0.893876 0.106124 0.750000 Ce\n0.106124 0.893876 0.250000 Ce\n0.536165 0.463835 0.750000 Si\n0.463835 0.536165 0.250000 Si\n0.249270 0.750730 0.750000 Si\n0.750730 0.249270 0.250000 Si\n0.676972 0.323028 0.750000 Ir\n0.323028 0.676972 0.250000 Ir\n",
"nsites": 8,
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],
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"density": 8.701606687830042,
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"volume": 148.27746016896666,
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"formula_full": "Ce2 Si4 Ir2",
"formula_reduced": "CeSi2Ir",
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{
"id": "mp-1208059",
"created_at": "2022-09-04T14:41:54.942670Z",
"structure_string": "Tm4 Ga18 Rh6\n1.0\n3.782496 -6.541970 0.000000\n3.782496 6.541970 0.000000\n0.000000 0.000000 9.510827\nTm Ga Rh\n4 18 6\ndirect\n0.996797 0.667627 0.250000 Tm\n0.003203 0.332373 0.750000 Tm\n0.667627 0.996797 0.250000 Tm\n0.332373 0.003203 0.750000 Tm\n0.124266 0.124266 0.250000 Ga\n0.875734 0.875734 0.750000 Ga\n0.999672 0.333989 0.078783 Ga\n0.000328 0.666011 0.921217 Ga\n0.000328 0.666011 0.578783 Ga\n0.333989 0.999672 0.421217 Ga\n0.999672 0.333989 0.421217 Ga\n0.666011 0.000328 0.578783 Ga\n0.666011 0.000328 0.921217 Ga\n0.333989 0.999672 0.078783 Ga\n0.333035 0.333035 0.563574 Ga\n0.666965 0.666965 0.436426 Ga\n0.666965 0.666965 0.063574 Ga\n0.333035 0.333035 0.936426 Ga\n0.337813 0.547804 0.250000 Ga\n0.662187 0.452196 0.750000 Ga\n0.547804 0.337813 0.250000 Ga\n0.452196 0.662187 0.750000 Ga\n0.671711 0.328289 0.000000 Rh\n0.328289 0.671711 0.000000 Rh\n0.328289 0.671711 0.500000 Rh\n0.671711 0.328289 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
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"volume": 470.69035948166317,
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{
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