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{
"id": "jvasp-9407",
"created_at": "2022-09-04T14:37:11.194586Z",
"updated_at": "2022-09-04T14:37:11.194607Z",
"structure_string": "Li4 Al4 O8\n1.0\n5.201815 -0.000000 -0.000000\n0.000000 5.201815 0.000000\n-0.000000 -0.000000 6.267666\nLi Al O\n4 4 8\ndirect\n0.686555 0.313446 0.250000 Li\n0.186555 0.186555 0.500000 Li\n0.313446 0.686555 0.750001 Li\n0.813446 0.813446 0.000000 Li\n0.825174 0.825174 0.500000 Al\n0.674827 0.325174 0.750001 Al\n0.325174 0.674827 0.250000 Al\n0.174827 0.174827 0.000000 Al\n0.293083 0.334086 0.229840 O\n0.165914 0.793084 0.479840 O\n0.793084 0.165914 0.520160 O\n0.834087 0.206917 0.979841 O\n0.206917 0.834087 0.020160 O\n0.665915 0.706918 0.270160 O\n0.334086 0.293083 0.770160 O\n0.706918 0.665915 0.729841 O\n",
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{
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"structure_string": "Mg2 Cr1 W1 O6\n1.0\n5.145280 0.019549 -0.003208\n2.555645 4.465785 -0.004330\n2.569871 1.497902 4.620340\nMg Cr W O\n2 1 1 6\ndirect\n0.288294 0.290794 0.145418 Mg\n0.789422 0.791926 0.642016 Mg\n0.496292 0.498771 0.521455 Cr\n0.994910 0.997403 0.025571 W\n0.370546 0.105410 0.813827 O\n0.611624 0.886058 0.306731 O\n0.102894 0.725516 0.813826 O\n0.722990 0.373045 0.813847 O\n0.208381 0.614132 0.306724 O\n0.883565 0.210871 0.306729 O\n",
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"formula_full": "Mg2 Cr1 W1 O6",
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{
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"created_at": "2022-09-04T14:37:29.155878Z",
"updated_at": "2022-09-04T14:37:29.155900Z",
"structure_string": "Li4 Fe2 F8\n1.0\n0.000000 5.346605 -0.111069\n5.242500 0.000000 0.000000\n0.000000 -2.553721 -5.240916\nLi Fe F\n4 2 8\ndirect\n0.371160 0.637533 0.843061 Li\n0.128757 0.707813 0.156910 Li\n0.871244 0.207813 0.843091 Li\n0.628841 0.137533 0.156940 Li\n0.250035 0.172695 0.500030 Fe\n0.749966 0.672695 0.499971 Fe\n0.981256 0.013470 0.627573 F\n0.021556 0.531872 0.849623 F\n0.521642 0.313541 0.849650 F\n0.481362 0.831956 0.627711 F\n0.518639 0.331956 0.372290 F\n0.478359 0.813541 0.150351 F\n0.978445 0.031872 0.150378 F\n0.018746 0.513470 0.372428 F\n",
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"elements": [
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"chemical_system": "F-Fe-Li",
"density": 3.261387232274436,
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"volume": 148.38763576966778,
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"formula_full": "Li4 Fe2 F8",
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{
"id": "jvasp-55218",
"created_at": "2022-09-04T14:37:12.279657Z",
"updated_at": "2022-09-04T14:37:12.279683Z",
"structure_string": "Mn3 Rh1 N1\n1.0\n3.756164 0.000000 0.000000\n0.000000 3.756164 0.000000\n-0.000000 -0.000000 3.756164\nMn Rh N\n3 1 1\ndirect\n0.499999 0.499999 0.000000 Mn\n0.499999 0.000000 0.499999 Mn\n0.000000 0.499999 0.499999 Mn\n0.000000 0.000000 0.000000 Rh\n0.499999 0.499999 0.499999 N\n",
"nsites": 5,
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{
"id": "jvasp-74781",
"created_at": "2022-09-04T14:36:18.885244Z",
"updated_at": "2022-09-04T14:36:18.885279Z",
"structure_string": "Mn1 Be2 Os1\n1.0\n-1.956887 1.956887 2.767755\n1.956887 -1.956887 2.767755\n1.956887 1.956887 -2.767755\nMn Be Os\n1 2 1\ndirect\n0.500001 0.500001 0.000000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Os\n",
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{
"id": "jvasp-119692",
"created_at": "2022-09-04T14:38:50.390135Z",
"updated_at": "2022-09-04T14:38:50.390173Z",
"structure_string": "V6 O8 F4\n1.0\n4.623959 -0.027189 0.012688\n0.045246 7.518622 -0.608680\n-0.015538 -0.035980 5.489860\nV O F\n6 8 4\ndirect\n0.010249 0.675185 0.689441 V\n0.513333 0.355747 0.824556 V\n0.013340 0.977589 0.008777 V\n0.510260 0.658143 0.143909 V\n0.470910 0.012178 0.482745 V\n0.970909 0.321153 0.350585 V\n0.200845 0.905027 0.697420 O\n0.700854 0.428312 0.135912 O\n0.298490 0.569462 0.864568 O\n0.798487 0.763867 0.968779 O\n0.802683 0.092480 0.296845 O\n0.305424 0.889867 0.200413 O\n0.805429 0.443464 0.632908 O\n0.302690 0.240845 0.536474 O\n0.696425 0.766327 0.465924 F\n0.701633 0.105701 0.799554 F\n0.201597 0.227651 0.033758 F\n0.196447 0.567000 0.367436 F\n",
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"elements": [
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"volume": 190.76606598259386,
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"formula_full": "V6 O8 F4",
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{
"id": "jvasp-9901",
"created_at": "2022-09-04T14:38:11.447778Z",
"updated_at": "2022-09-04T14:38:11.447811Z",
"structure_string": "Zn2 Cu4 O8\n1.0\n5.897667 0.064346 0.005295\n-0.346525 5.887880 -0.005867\n-2.779575 -2.971965 4.270300\nZn Cu O\n2 4 8\ndirect\n0.875027 0.624989 0.750001 Zn\n0.124979 0.375014 0.250004 Zn\n0.500003 0.000003 0.000004 Cu\n-0.000002 -0.000000 0.499999 Cu\n0.500001 -0.000005 0.500000 Cu\n0.500001 0.499998 -0.000001 Cu\n0.718744 0.175480 0.938181 O\n0.324473 0.262715 0.043234 O\n0.219478 0.781252 0.456773 O\n0.762717 0.719430 0.438195 O\n0.780517 0.218748 0.543226 O\n0.675525 0.737283 0.956764 O\n0.237276 0.280572 0.561805 O\n0.281257 0.824522 0.061820 O\n",
"nsites": 14,
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"formula_full": "Zn2 Cu4 O8",
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"spacegroup": 88
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{
"id": "jvasp-50403",
"created_at": "2022-09-04T14:38:17.658406Z",
"updated_at": "2022-09-04T14:38:17.658424Z",
"structure_string": "Cd4 Ga8 O16\n1.0\n3.001702 0.000000 0.000000\n0.000000 9.228013 0.000000\n0.000000 0.000000 10.712534\nCd Ga O\n4 8 16\ndirect\n0.250000 0.757059 0.346745 Cd\n0.749999 0.742940 0.846745 Cd\n0.250000 0.257059 0.153255 Cd\n0.749999 0.242941 0.653255 Cd\n0.749999 0.083529 0.394771 Ga\n0.749999 0.064632 0.886812 Ga\n0.250000 0.416471 0.894771 Ga\n0.250000 0.435368 0.386812 Ga\n0.749999 0.564632 0.613187 Ga\n0.250000 0.935368 0.113188 Ga\n0.250000 0.916470 0.605228 Ga\n0.749999 0.583529 0.105228 Ga\n0.749999 0.470303 0.783221 O\n0.250000 0.115731 0.523330 O\n0.250000 0.204094 0.840679 O\n0.749999 0.295906 0.340680 O\n0.749999 0.384269 0.023330 O\n0.250000 0.418289 0.570556 O\n0.250000 0.529697 0.216779 O\n0.250000 0.918288 0.929443 O\n0.250000 0.615730 0.976670 O\n0.250000 0.704094 0.659320 O\n0.749999 0.795906 0.159320 O\n0.749999 0.884269 0.476670 O\n0.749999 0.081711 0.070557 O\n0.749999 0.970302 0.716779 O\n0.749999 0.581711 0.429443 O\n0.250000 0.029697 0.283221 O\n",
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{
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"created_at": "2022-09-04T14:36:05.742150Z",
"updated_at": "2022-09-04T14:36:05.742185Z",
"structure_string": "Be1 V1 Fe2\n1.0\n-1.646476 1.646476 3.909223\n1.646476 -1.646476 3.909223\n1.646476 1.646476 -3.909223\nBe V Fe\n1 1 2\ndirect\n0.750001 0.250000 0.500001 Be\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 Fe\n0.250000 0.750001 0.500001 Fe\n",
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{
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"created_at": "2022-09-04T14:37:05.533256Z",
"updated_at": "2022-09-04T14:37:05.533276Z",
"structure_string": "Li2 V2 P2 H2 O10\n1.0\n5.365540 -0.182520 -0.064130\n-1.173811 5.977680 -0.011334\n-1.602416 -1.999720 6.015110\nLi V P H O\n2 2 2 2 10\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.761196 0.381414 0.272367 V\n0.238804 0.618586 0.727634 V\n0.345824 0.554316 0.232517 P\n0.654176 0.445684 0.767484 P\n0.662238 0.939647 0.157648 H\n0.337762 0.060353 0.842352 H\n0.177053 0.921064 0.759322 O\n0.164773 0.590313 0.385849 O\n0.336012 0.288368 0.154873 O\n0.663988 0.711633 0.845127 O\n0.651370 0.681720 0.364238 O\n0.822947 0.078936 0.240679 O\n0.254679 0.653157 0.042524 O\n0.745321 0.346843 0.957477 O\n0.835226 0.409687 0.614152 O\n0.348629 0.318280 0.635763 O\n",
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{
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{
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"created_at": "2022-09-04T14:37:28.643690Z",
"updated_at": "2022-09-04T14:37:28.643732Z",
"structure_string": "Li2 V2 Co2 O8\n1.0\n5.136407 -0.003526 -0.000000\n2.020344 4.722383 0.000000\n0.000000 0.000000 6.114468\nLi V Co O\n2 2 2 8\ndirect\n0.337496 0.337495 0.750000 Li\n0.662504 0.662503 0.250000 Li\n0.352496 0.352495 0.250000 V\n0.647504 0.647503 0.750000 V\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.234467 0.234466 0.023940 O\n0.234467 0.234466 0.476060 O\n0.236578 0.728092 0.250000 O\n0.271907 0.763421 0.750000 O\n0.728093 0.236578 0.250000 O\n0.763422 0.271907 0.750000 O\n0.765534 0.765532 0.523940 O\n0.765534 0.765532 0.976060 O\n",
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}
]
}