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{
"id": "jvasp-97345",
"created_at": "2022-09-04T14:36:04.018423Z",
"updated_at": "2022-09-04T14:36:04.018446Z",
"structure_string": "La4 Mn4 O12\n1.0\n5.547815 0.000000 0.000000\n-0.000000 5.546901 0.000000\n0.000000 0.000000 7.825193\nLa Mn O\n4 4 12\ndirect\n0.005709 0.969342 0.750000 La\n0.494290 0.469343 0.750000 La\n0.505709 0.530657 0.250000 La\n0.994290 0.030657 0.250000 La\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.780708 0.781541 0.036858 O\n0.719291 0.281541 0.463142 O\n0.719291 0.281541 0.036858 O\n0.569040 0.010888 0.750000 O\n0.430959 0.989112 0.250000 O\n0.219291 0.218459 0.963141 O\n0.280708 0.718459 0.536858 O\n0.219291 0.218459 0.536858 O\n0.780708 0.781541 0.463142 O\n0.069040 0.489112 0.250000 O\n0.280708 0.718459 0.963141 O\n0.930959 0.510888 0.750000 O\n",
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{
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{
"id": "jvasp-108767",
"created_at": "2022-09-04T14:38:26.917448Z",
"updated_at": "2022-09-04T14:38:26.917476Z",
"structure_string": "K1 Na4 Cl5\n1.0\n4.064687 0.004199 -14.028400\n-0.077875 4.063943 -14.028400\n-0.004115 -0.004199 14.605399\nK Na Cl\n1 4 5\ndirect\n0.000000 0.000000 0.000000 K\n0.396239 0.396238 0.000000 Na\n0.797879 0.797877 0.000001 Na\n0.202123 0.202122 0.000000 Na\n0.603763 0.603761 0.000001 Na\n0.105907 0.105907 0.000000 Cl\n0.500001 0.500000 0.000001 Cl\n0.894094 0.894092 0.000001 Cl\n0.298739 0.298739 0.000000 Cl\n0.701263 0.701261 0.000001 Cl\n",
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"density": 2.1262746594790154,
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"volume": 240.78796689426045,
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"formula_full": "K1 Na4 Cl5",
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{
"id": "jvasp-122477",
"created_at": "2022-09-04T14:38:54.690519Z",
"updated_at": "2022-09-04T14:38:54.690546Z",
"structure_string": "La3 Nd1 Ga4 O12\n1.0\n7.832114 0.000000 0.000000\n0.000000 5.557832 0.009062\n-0.000000 -0.000548 5.531379\nLa Nd Ga O\n3 1 4 12\ndirect\n-0.000000 0.532743 0.993398 La\n0.500000 0.969574 0.493246 La\n0.500000 0.466381 0.007839 La\n-0.000000 0.041294 0.509629 Nd\n0.249032 0.501908 0.499753 Ga\n0.751369 0.999273 0.000582 Ga\n0.750968 0.501908 0.499753 Ga\n0.248630 0.999273 0.000582 Ga\n0.710123 0.713757 0.214220 O\n0.288410 0.215060 0.284124 O\n0.289876 0.713757 0.214220 O\n0.711590 0.215060 0.284124 O\n0.791942 0.281544 0.780974 O\n-0.000000 0.986257 0.082818 O\n0.500000 0.012266 0.926676 O\n0.500000 0.513569 0.574522 O\n0.793481 0.786979 0.713375 O\n-0.000000 0.480864 0.425815 O\n0.206518 0.786979 0.713375 O\n0.208058 0.281544 0.780974 O\n",
"nsites": 20,
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{
"id": "jvasp-64076",
"created_at": "2022-09-04T14:36:10.562446Z",
"updated_at": "2022-09-04T14:36:10.562461Z",
"structure_string": "Ba4 Nb1 Se1\n1.0\n-0.000000 4.937722 4.937722\n4.937722 0.000000 4.937722\n4.937722 4.937722 -0.000000\nBa Nb Se\n4 1 1\ndirect\n0.123726 0.625425 0.625425 Ba\n0.625425 0.625425 0.625425 Ba\n0.625425 0.123726 0.625425 Ba\n0.625425 0.625425 0.123726 Ba\n0.250000 0.250000 0.250000 Nb\n0.000000 0.000000 0.000000 Se\n",
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"spacegroup": 216
},
{
"id": "jvasp-66145",
"created_at": "2022-09-04T14:36:03.381595Z",
"updated_at": "2022-09-04T14:36:03.381620Z",
"structure_string": "Ba4 In1 Fe1\n1.0\n-0.000000 4.937704 4.937704\n4.937704 0.000000 4.937704\n4.937704 4.937704 0.000000\nBa In Fe\n4 1 1\ndirect\n0.125697 0.624768 0.624768 Ba\n0.624768 0.624768 0.624768 Ba\n0.624768 0.125697 0.624768 Ba\n0.624768 0.624768 0.125697 Ba\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Fe\n",
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},
{
"id": "jvasp-111592",
"created_at": "2022-09-04T14:38:41.171681Z",
"updated_at": "2022-09-04T14:38:41.171713Z",
"structure_string": "Be4 Co8 O16\n1.0\n2.890475 0.000000 0.000000\n0.000000 8.986134 0.000000\n0.000000 0.000000 9.269452\nBe Co O\n4 8 16\ndirect\n0.749999 0.644900 0.106821 Be\n0.250000 0.855100 0.606821 Be\n0.749999 0.144900 0.393179 Be\n0.250000 0.355100 0.893178 Be\n0.250000 0.370593 0.204856 Co\n0.250000 0.381894 0.571915 Co\n0.749999 0.129407 0.704856 Co\n0.749999 0.118106 0.071915 Co\n0.250000 0.881894 0.928085 Co\n0.749999 0.618106 0.428085 Co\n0.749999 0.629407 0.795143 Co\n0.250000 0.870592 0.295144 Co\n0.749999 0.017366 0.885412 O\n0.749999 0.234056 0.251157 O\n0.250000 0.253976 0.030138 O\n0.749999 0.246023 0.530137 O\n0.250000 0.265944 0.751157 O\n0.749999 0.976709 0.374564 O\n0.250000 0.982634 0.114588 O\n0.749999 0.476710 0.125436 O\n0.749999 0.734055 0.248843 O\n0.250000 0.753976 0.469862 O\n0.749999 0.746023 0.969862 O\n0.250000 0.765944 0.748843 O\n0.250000 0.523290 0.874563 O\n0.749999 0.517365 0.614588 O\n0.250000 0.023290 0.625436 O\n0.250000 0.482634 0.385412 O\n",
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{
"id": "jvasp-102739",
"created_at": "2022-09-04T14:36:55.043038Z",
"updated_at": "2022-09-04T14:36:55.043068Z",
"structure_string": "K2 Zn3 Ge1 As4\n1.0\n7.670525 0.066020 0.000000\n-5.502328 5.344689 0.000000\n-0.000000 -0.000000 5.821123\nK Zn Ge As\n2 3 1 4\ndirect\n0.500000 -0.000000 0.247947 K\n-0.000000 0.500000 0.752053 K\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Ge\n0.645526 0.866874 0.755739 As\n0.133126 0.354474 0.244260 As\n0.866874 0.645526 0.244260 As\n0.354474 0.133126 0.755739 As\n",
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"spacegroup": 21
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{
"id": "jvasp-58197",
"created_at": "2022-09-04T14:37:32.158331Z",
"updated_at": "2022-09-04T14:37:32.158353Z",
"structure_string": "Ca2 Mn8 O12\n1.0\n3.110238 0.000000 0.000000\n-1.555119 5.065912 -0.000000\n0.000000 -0.000000 15.280355\nCa Mn O\n2 8 12\ndirect\n0.663555 0.327111 0.750000 Ca\n0.336445 0.672889 0.250000 Ca\n0.862613 0.725229 0.042722 Mn\n0.409449 0.818897 0.634169 Mn\n0.137385 0.274770 0.957277 Mn\n0.590551 0.181103 0.365832 Mn\n0.862613 0.725229 0.457277 Mn\n0.137385 0.274770 0.542722 Mn\n0.590551 0.181103 0.134168 Mn\n0.409449 0.818897 0.865831 Mn\n0.780306 0.560613 0.577598 O\n0.219693 0.439388 0.422401 O\n0.219693 0.439388 0.077598 O\n0.780306 0.560613 0.922402 O\n0.050381 0.100760 0.653915 O\n0.499999 0.000000 0.500000 O\n0.949620 0.899240 0.153915 O\n0.050381 0.100760 0.846085 O\n0.499999 0.000000 0.000000 O\n0.330680 0.661361 0.750000 O\n0.949620 0.899240 0.346085 O\n0.669318 0.338637 0.250000 O\n",
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{
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"created_at": "2022-09-04T14:38:27.429893Z",
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"structure_string": "Mn4 F14\n1.0\n5.084632 -0.109924 1.227543\n0.086646 5.552387 1.846779\n-0.116382 -0.214393 8.425604\nMn F\n4 14\ndirect\n0.288961 0.043256 0.172857 Mn\n0.779368 0.791134 0.312105 Mn\n0.220632 0.208867 0.687893 Mn\n0.711040 0.956746 0.827142 Mn\n0.075871 0.888664 0.754261 F\n0.869358 0.257466 0.798248 F\n0.317353 0.494803 0.666138 F\n0.864847 0.732034 0.507755 F\n0.553512 0.102667 0.619145 F\n0.446488 0.897335 0.380854 F\n0.682648 0.505199 0.333861 F\n0.332524 0.096070 0.908598 F\n0.130643 0.742536 0.201751 F\n0.924129 0.111338 0.245737 F\n0.667476 0.903931 0.091401 F\n0.404727 0.325815 0.140003 F\n0.135154 0.267967 0.492244 F\n0.595274 0.674187 0.859995 F\n",
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{
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"created_at": "2022-09-04T14:37:42.674728Z",
"updated_at": "2022-09-04T14:37:42.674747Z",
"structure_string": "Yb4 Ni4 Sn4\n1.0\n4.430956 0.000000 0.000000\n-0.000000 7.094520 0.000000\n0.000000 0.000000 7.658643\nYb Ni Sn\n4 4 4\ndirect\n0.250000 0.974866 0.815491 Yb\n0.750001 0.025134 0.184508 Yb\n0.250000 0.474866 0.684508 Yb\n0.750001 0.525134 0.315492 Yb\n0.750001 0.289064 0.894093 Ni\n0.250000 0.210936 0.394093 Ni\n0.750001 0.789064 0.605907 Ni\n0.250000 0.710936 0.105907 Ni\n0.250000 0.831626 0.425531 Sn\n0.750001 0.668374 0.925531 Sn\n0.250000 0.331626 0.074469 Sn\n0.750001 0.168374 0.574469 Sn\n",
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],
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{
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"created_at": "2022-09-04T14:38:34.488150Z",
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"structure_string": "Zn6 S6\n1.0\n1.919970 -3.325485 0.000000\n1.919970 3.325485 -0.000000\n0.000000 -0.000000 18.852504\nZn S\n6 6\ndirect\n0.333333 0.666667 0.166713 Zn\n0.666667 0.333333 0.666713 Zn\n0.666667 0.333333 0.333117 Zn\n0.333333 0.666667 0.833117 Zn\n0.000000 0.000000 0.499969 Zn\n0.000000 0.000000 0.999969 Zn\n0.333333 0.666667 0.041927 S\n0.666667 0.333333 0.541926 S\n0.666667 0.333333 0.208364 S\n0.333333 0.666667 0.708364 S\n0.000000 0.000000 0.374909 S\n0.000000 0.000000 0.874909 S\n",
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]
}