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{
"id": "jvasp-46940",
"created_at": "2022-09-04T14:38:04.043909Z",
"updated_at": "2022-09-04T14:38:04.043935Z",
"structure_string": "Mn6 O7 F5\n1.0\n5.451673 -0.006117 -0.012117\n1.728850 5.223780 0.008185\n2.216549 1.444843 6.744269\nMn O F\n6 7 5\ndirect\n0.688884 0.689236 0.838920 Mn\n0.338208 0.338175 0.672548 Mn\n0.678260 0.611370 0.308789 Mn\n0.329039 0.332073 0.164221 Mn\n0.986673 0.985862 0.504309 Mn\n0.977075 0.044530 0.002084 Mn\n0.686174 0.340569 0.000756 O\n0.642817 0.031579 0.671313 O\n0.970750 0.324992 0.328944 O\n0.770984 0.793489 0.029823 O\n0.228688 0.248497 0.957997 O\n0.028936 0.643503 0.673300 O\n0.429338 0.414793 0.378838 O\n0.110025 0.108704 0.685158 F\n0.365222 0.924568 0.341092 F\n0.893298 0.854052 0.312109 F\n0.575382 0.573490 0.640486 F\n0.300247 0.740508 0.989300 F\n",
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{
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"structure_string": "Yb2 Co2 O5\n1.0\n3.691140 0.000000 0.000000\n0.000000 3.691140 -0.000000\n0.000000 -0.000000 7.005547\nYb Co O\n2 2 5\ndirect\n0.000000 0.000000 0.999986 Yb\n0.000000 0.000000 0.499844 Yb\n0.500000 0.500000 0.231661 Co\n0.500000 0.500000 0.768331 Co\n0.500000 0.000000 0.211972 O\n0.500000 0.000000 0.788111 O\n0.000000 0.500000 0.211972 O\n0.000000 0.500000 0.788111 O\n0.500000 0.500000 0.500007 O\n",
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"formula_full": "Yb2 Co2 O5",
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{
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"updated_at": "2022-09-04T14:38:03.624180Z",
"structure_string": "Tl4 Sb4 O12\n1.0\n5.410629 0.000000 0.000000\n-2.705314 4.685742 -0.000000\n0.000000 -0.000000 14.171581\nTl Sb O\n4 4 12\ndirect\n0.666667 0.333333 0.936761 Tl\n0.333333 0.666667 0.436761 Tl\n0.333333 0.666667 0.063239 Tl\n0.666667 0.333333 0.563239 Tl\n0.666667 0.333333 0.250000 Sb\n0.000000 0.000000 0.250000 Sb\n0.333333 0.666667 0.750000 Sb\n0.000000 0.000000 0.750000 Sb\n0.666680 0.950173 0.829587 O\n0.333321 0.283494 0.329587 O\n0.049827 0.716506 0.829587 O\n0.666680 0.716506 0.670413 O\n0.333321 0.049826 0.170413 O\n0.716506 0.049826 0.329587 O\n0.049827 0.333320 0.670413 O\n0.716507 0.666679 0.170413 O\n0.950174 0.666679 0.329587 O\n0.283494 0.333320 0.829587 O\n0.950174 0.283494 0.170413 O\n0.283495 0.950173 0.670413 O\n",
"nsites": 20,
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"formula_full": "Tl4 Sb4 O12",
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"formula_anonymous": "ABC3",
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"spacegroup": 163
},
{
"id": "jvasp-76887",
"created_at": "2022-09-04T14:38:03.630163Z",
"updated_at": "2022-09-04T14:38:03.630188Z",
"structure_string": "Li2 Cu1 Ag1\n1.0\n-8.607667 0.000000 -4.969639\n-8.741509 -0.005994 5.201459\n-5.780232 8.369759 0.072379\nLi Cu Ag\n2 1 1\ndirect\n0.756113 0.000000 -0.000000 Li\n0.243888 0.000000 -0.000000 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 -0.000000 Ag\n",
"nsites": 4,
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"formula_full": "Li2 Cu1 Ag1",
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{
"id": "jvasp-17497",
"created_at": "2022-09-04T14:38:03.638971Z",
"updated_at": "2022-09-04T14:38:03.638997Z",
"structure_string": "Sm3 Pb1 C1\n1.0\n5.768857 0.000000 0.000000\n0.000000 5.768857 0.000000\n-0.000000 -0.000000 5.768857\nSm Pb C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.500000 0.000000 0.500000 Sm\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 C\n",
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{
"id": "jvasp-36894",
"created_at": "2022-09-04T14:38:03.641630Z",
"updated_at": "2022-09-04T14:38:03.641655Z",
"structure_string": "Rb1 Ca1 Br3\n1.0\n5.639415 0.000587 0.004952\n-0.000393 5.639445 0.000703\n-0.006340 -0.001862 5.639420\nRb Ca Br\n1 1 3\ndirect\n0.988383 0.999926 0.998175 Rb\n0.487939 0.500008 0.498069 Ca\n0.487865 0.000012 0.497923 Br\n0.987926 0.499935 0.497800 Br\n0.487886 0.500123 0.998027 Br\n",
"nsites": 5,
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"elements": [
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{
"id": "jvasp-29244",
"created_at": "2022-09-04T14:38:03.653625Z",
"updated_at": "2022-09-04T14:38:03.653645Z",
"structure_string": "Sb8 Br4 O10\n1.0\n5.181829 0.000000 0.000000\n0.000000 6.577290 -0.879948\n0.000000 0.095104 13.656607\nSb Br O\n8 4 10\ndirect\n0.778228 0.820878 0.948397 Sb\n0.278227 0.179121 0.551604 Sb\n0.221773 0.179122 0.051603 Sb\n0.721773 0.820878 0.448397 Sb\n0.876046 0.195568 0.797892 Sb\n0.376046 0.804431 0.702108 Sb\n0.123955 0.804432 0.202108 Sb\n0.623955 0.195568 0.297892 Sb\n0.791400 0.503281 0.617932 Br\n0.291400 0.496718 0.882068 Br\n0.208601 0.496718 0.382068 Br\n0.708601 0.503282 0.117932 Br\n0.162569 0.075036 0.709865 O\n0.337431 0.075036 0.209865 O\n0.837431 0.924964 0.290135 O\n0.993457 0.931997 0.082539 O\n0.493457 0.068003 0.417461 O\n0.006543 0.068003 0.917461 O\n0.506544 0.931996 0.582539 O\n0.500000 0.000000 0.000000 O\n0.000000 -0.000000 0.500000 O\n0.662569 0.924963 0.790135 O\n",
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"elements": [
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],
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"density": 5.181357830796882,
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"volume": 465.8834835490409,
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"formula_full": "Sb8 Br4 O10",
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"spacegroup": 14
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{
"id": "jvasp-46084",
"created_at": "2022-09-04T14:38:03.654707Z",
"updated_at": "2022-09-04T14:38:03.654730Z",
"structure_string": "Dy2 Se1 O2\n1.0\n-1.909131 1.909131 6.028078\n1.909131 -1.909131 6.028078\n1.909131 1.909131 -6.028078\nDy Se O\n2 1 2\ndirect\n0.344599 0.344599 0.000000 Dy\n0.655401 0.655401 0.000000 Dy\n0.000000 0.000000 0.000000 Se\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
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{
"id": "jvasp-9195",
"created_at": "2022-09-04T14:38:03.662927Z",
"updated_at": "2022-09-04T14:38:03.662943Z",
"structure_string": "Ca4 Co4 O8\n1.0\n3.197133 0.021921 -0.010206\n-0.602414 8.002735 -0.123424\n-0.222450 -1.259895 7.947655\nCa Co O\n4 4 8\ndirect\n0.194078 0.709920 0.916742 Ca\n0.690644 0.271152 0.094592 Ca\n0.689159 0.942952 0.311448 Ca\n0.245888 0.024200 0.707525 Ca\n0.051575 0.375799 0.713270 Co\n0.642985 0.669939 0.560027 Co\n0.284411 0.271476 0.438429 Co\n0.179890 0.614519 0.270103 Co\n0.550547 0.462133 0.358509 O\n0.778010 0.171663 0.546642 O\n0.162773 0.801219 0.466455 O\n0.580806 0.519567 0.730697 O\n0.171939 0.268985 0.898088 O\n0.719210 0.863470 0.797026 O\n0.710319 0.678633 0.130975 O\n0.196461 0.108312 0.217918 O\n",
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{
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"created_at": "2022-09-04T14:38:03.677474Z",
"updated_at": "2022-09-04T14:38:03.677504Z",
"structure_string": "K4 B4 Se14\n1.0\n6.680845 0.000000 2.233038\n2.961639 7.669056 2.249769\n-0.039138 0.010879 11.227550\nK B Se\n4 4 14\ndirect\n0.672245 0.185862 0.022287 K\n0.880395 0.314138 0.477713 K\n0.327755 0.814138 0.977713 K\n0.119605 0.685863 0.522287 K\n0.842641 0.614476 0.152036 B\n0.609153 0.885525 0.347964 B\n0.157359 0.385525 0.847964 B\n0.390848 0.114476 0.652036 B\n0.909461 0.899523 0.268486 Se\n0.077470 0.600478 0.231514 Se\n0.618022 0.868840 0.670391 Se\n0.157252 0.631161 0.829609 Se\n0.381978 0.131161 0.329609 Se\n0.842749 0.368840 0.170391 Se\n0.174034 0.232529 0.022061 Se\n0.825966 0.767471 0.977940 Se\n0.428623 0.267471 0.477940 Se\n0.922530 0.399523 0.768486 Se\n0.464422 0.250000 0.750000 Se\n0.535578 0.750000 0.250000 Se\n0.571378 0.732530 0.522061 Se\n0.090539 0.100477 0.731514 Se\n",
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{
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"structure_string": "Na8 Sn2 S8\n1.0\n7.824596 0.000000 0.000000\n0.000000 7.824596 -0.000000\n-0.000000 0.000000 6.971859\nNa Sn S\n8 2 8\ndirect\n0.196782 0.409591 0.030826 Na\n0.590410 0.196782 0.969174 Na\n0.409591 0.803219 0.969174 Na\n0.803219 0.590410 0.030826 Na\n0.696782 0.090409 0.469174 Na\n0.303218 0.909591 0.469174 Na\n0.909591 0.696782 0.530826 Na\n0.090409 0.303218 0.530826 Na\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.257941 0.595884 0.690693 S\n0.742059 0.404116 0.690693 S\n0.095884 0.757941 0.190693 S\n0.242059 0.095884 0.809307 S\n0.757941 0.904116 0.809307 S\n0.904116 0.242059 0.190693 S\n0.595884 0.742059 0.309307 S\n0.404116 0.257941 0.309307 S\n",
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{
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"created_at": "2022-09-04T14:38:03.696176Z",
"updated_at": "2022-09-04T14:38:03.696213Z",
"structure_string": "Cr4 Ga2 C2\n1.0\n1.440141 -2.494397 0.000000\n1.440141 2.494397 0.000000\n0.000000 0.000000 12.417625\nCr Ga C\n4 2 2\ndirect\n0.333332 0.666667 0.084959 Cr\n0.666667 0.333332 0.584958 Cr\n0.666667 0.333332 0.915041 Cr\n0.333332 0.666667 0.415041 Cr\n0.333332 0.666667 0.750000 Ga\n0.666667 0.333332 0.250000 Ga\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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"formula_full": "Cr4 Ga2 C2",
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}
]
}