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{
"id": "jvasp-47056",
"created_at": "2022-09-04T14:36:52.471173Z",
"updated_at": "2022-09-04T14:36:52.471194Z",
"structure_string": "Co4 Sn4 O12\n1.0\n5.354139 0.000057 0.000173\n-0.000075 5.411343 0.000120\n-0.000146 0.000046 7.791577\nCo Sn O\n4 4 12\ndirect\n0.025159 0.985694 0.750025 Co\n0.525154 0.514311 0.750000 Co\n0.474818 0.485721 0.250016 Co\n0.974826 0.014280 0.250006 Co\n0.499991 0.000014 0.000007 Sn\n0.500002 0.000004 0.499999 Sn\n0.999985 0.499998 0.000006 Sn\n-0.000001 0.499985 0.500002 Sn\n0.165003 0.837043 0.069204 O\n0.665040 0.662977 0.430783 O\n0.665025 0.662988 0.069237 O\n0.902367 0.628722 0.750000 O\n0.097616 0.371254 0.250001 O\n0.835017 0.162929 0.569202 O\n0.334996 0.337037 0.569210 O\n0.834965 0.162982 0.930774 O\n0.165063 0.836991 0.430746 O\n0.597618 0.128749 0.250001 O\n0.334972 0.337050 0.930784 O\n0.402370 0.871281 0.750001 O\n",
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{
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"structure_string": "Fe4 Bi4 O12\n1.0\n5.422999 -0.003290 0.000000\n0.003252 5.422615 0.000000\n0.000000 0.000000 7.676353\nFe Bi O\n4 4 12\ndirect\n0.000001 0.500001 0.250000 Fe\n0.499998 -0.000000 0.750000 Fe\n-0.000002 0.500000 0.750000 Fe\n0.500002 0.000000 0.250000 Fe\n0.500000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.749992 0.749995 0.250000 O\n0.750008 0.750007 0.750000 O\n0.749989 0.250005 0.750000 O\n0.249989 0.750005 0.750000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.750011 0.249996 0.250000 O\n-0.000000 0.500000 0.000000 O\n0.250008 0.250006 0.750000 O\n0.250011 0.749996 0.250000 O\n0.500000 0.000000 0.000000 O\n0.249992 0.249994 0.250000 O\n",
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{
"id": "jvasp-66642",
"created_at": "2022-09-04T14:35:45.886612Z",
"updated_at": "2022-09-04T14:35:45.886644Z",
"structure_string": "Ba4 Zn1 Pt1\n1.0\n0.000000 4.832662 4.832662\n4.832662 -0.000000 4.832662\n4.832662 4.832662 0.000000\nBa Zn Pt\n4 1 1\ndirect\n0.127712 0.624096 0.624096 Ba\n0.624096 0.624096 0.624096 Ba\n0.624096 0.127712 0.624096 Ba\n0.624096 0.624096 0.127712 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Pt\n",
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"formula_full": "Ba4 Zn1 Pt1",
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},
{
"id": "jvasp-104162",
"created_at": "2022-09-04T14:36:55.764179Z",
"updated_at": "2022-09-04T14:36:55.764197Z",
"structure_string": "H4 C6 S4 O2\n1.0\n4.572835 0.069617 0.197336\n0.399750 4.365272 0.403492\n0.134288 0.327906 11.358341\nH C S O\n4 6 4 2\ndirect\n0.280102 0.197369 0.865942 H\n0.780116 0.197376 0.365941 H\n0.531540 0.335758 0.753147 H\n0.031549 0.335766 0.253145 H\n0.152162 0.653308 0.784805 C\n0.652173 0.653315 0.284805 C\n0.662900 0.167757 0.189016 C\n0.162891 0.167750 0.689016 C\n0.295166 0.331399 0.778250 C\n0.795176 0.331406 0.278248 C\n0.455431 0.310634 0.082292 S\n0.955425 0.310628 0.582292 S\n0.888568 0.750285 0.880350 S\n0.388579 0.750290 0.380350 S\n0.272333 0.851131 0.699490 O\n0.772342 0.851139 0.199489 O\n",
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{
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"created_at": "2022-09-04T14:37:29.146128Z",
"updated_at": "2022-09-04T14:37:29.146154Z",
"structure_string": "Y4 Re8\n1.0\n2.713324 -4.699616 -0.000000\n2.713324 4.699616 0.000000\n0.000000 0.000000 8.850290\nY Re\n4 8\ndirect\n0.666666 0.333332 0.437639 Y\n0.333332 0.666666 0.562361 Y\n0.333332 0.666666 0.937639 Y\n0.666666 0.333332 0.062361 Y\n0.829013 0.170985 0.750000 Re\n0.341973 0.170986 0.750000 Re\n0.170986 0.341973 0.250000 Re\n0.170985 0.829013 0.250000 Re\n0.829012 0.658026 0.750000 Re\n0.000000 0.000000 0.000000 Re\n0.658026 0.829012 0.250000 Re\n0.000000 0.000000 0.500000 Re\n",
"nsites": 12,
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"density": 13.575620960215847,
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{
"id": "jvasp-99060",
"created_at": "2022-09-04T14:35:49.060420Z",
"updated_at": "2022-09-04T14:35:49.060448Z",
"structure_string": "Rb1 In1 Mo2 O8\n1.0\n5.886888 -0.000000 -0.000000\n-2.943444 5.098195 0.000000\n-0.000000 -0.000000 7.520296\nRb In Mo O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 In\n0.666668 0.333333 0.750773 Mo\n0.333334 0.666668 0.249227 Mo\n0.333592 0.166796 0.825588 O\n0.833204 0.166796 0.825588 O\n0.833205 0.666409 0.825588 O\n0.166797 0.833205 0.174412 O\n0.333334 0.666668 0.479638 O\n0.666668 0.333333 0.520363 O\n0.166797 0.333592 0.174412 O\n0.666410 0.833205 0.174412 O\n",
"nsites": 12,
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"volume": 225.70290601392145,
"volume_molar": 11.326788916307379,
"formula_full": "Rb1 In1 Mo2 O8",
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"formula_anonymous": "ABC2D8",
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"spacegroup": 164
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{
"id": "jvasp-66178",
"created_at": "2022-09-04T14:36:09.467850Z",
"updated_at": "2022-09-04T14:36:09.467866Z",
"structure_string": "Ba4 Si1 Se1\n1.0\n-0.000000 4.832323 4.832323\n4.832323 0.000000 4.832323\n4.832323 4.832323 0.000000\nBa Si Se\n4 1 1\ndirect\n0.125622 0.624792 0.624792 Ba\n0.624792 0.624792 0.624792 Ba\n0.624792 0.125622 0.624792 Ba\n0.624792 0.624792 0.125622 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Se\n",
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"volume": 225.6824886188857,
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"formula_full": "Ba4 Si1 Se1",
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},
{
"id": "jvasp-92179",
"created_at": "2022-09-04T14:36:00.366067Z",
"updated_at": "2022-09-04T14:36:00.366091Z",
"structure_string": "Sr2 Mg6\n1.0\n5.425181 0.000000 0.000000\n0.000000 5.425181 -0.000000\n0.000000 0.000000 7.667684\nSr Mg\n2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.250000 Mg\n0.000000 0.500000 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.750000 Mg\n0.500000 0.000000 0.750000 Mg\n",
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{
"id": "jvasp-59618",
"created_at": "2022-09-04T14:37:10.628981Z",
"updated_at": "2022-09-04T14:37:10.629002Z",
"structure_string": "Pu4 Sn2 Pt4\n1.0\n7.715726 0.000000 -0.000000\n-0.000000 7.715726 -0.000000\n0.000000 0.000000 3.790227\nPu Sn Pt\n4 2 4\ndirect\n0.327169 0.827169 0.500000 Pu\n0.827169 0.672831 0.500000 Pu\n0.172831 0.327169 0.500000 Pu\n0.672831 0.172831 0.500000 Pu\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.130061 0.630061 0.000000 Pt\n0.630061 0.869939 0.000000 Pt\n0.869939 0.369939 0.000000 Pt\n0.369939 0.130061 0.000000 Pt\n",
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{
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"created_at": "2022-09-04T14:38:27.294923Z",
"updated_at": "2022-09-04T14:38:27.294943Z",
"structure_string": "Zn2 Cu2 Si4 O12\n1.0\n6.528099 -0.008921 1.888233\n-0.130080 6.526809 1.888233\n-0.028826 -0.029366 5.278862\nZn Cu Si O\n2 2 4 12\ndirect\n0.763046 0.236954 0.749999 Zn\n0.236954 0.763046 0.249999 Zn\n0.895607 0.104393 0.249999 Cu\n0.104393 0.895607 0.749999 Cu\n0.386594 0.216171 0.243415 Si\n0.783829 0.613406 0.256584 Si\n0.216171 0.386594 0.743415 Si\n0.613406 0.783829 0.756584 Si\n0.790575 0.967661 0.634393 O\n0.032338 0.209424 0.865606 O\n0.137518 0.614930 0.626962 O\n0.385069 0.862482 0.873037 O\n0.862482 0.385070 0.373037 O\n0.677321 0.615816 0.011313 O\n0.322679 0.384183 0.988686 O\n0.615816 0.677321 0.511313 O\n0.209424 0.032339 0.365606 O\n0.384184 0.322679 0.488686 O\n0.614930 0.137518 0.126962 O\n0.967661 0.790576 0.134392 O\n",
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]
}