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{
"id": "jvasp-7880",
"created_at": "2022-09-04T14:36:48.380785Z",
"updated_at": "2022-09-04T14:36:48.380795Z",
"structure_string": "Ba1 Ho2 Ni1 O5\n1.0\n3.582246 0.000000 -1.060308\n-0.740831 5.136044 -2.502894\n0.021172 0.013872 6.652976\nBa Ho Ni O\n1 2 1 5\ndirect\n0.500000 0.500000 0.000000 Ba\n0.298111 0.798110 0.596221 Ho\n0.701891 0.201890 0.403780 Ho\n0.000000 0.000000 0.000000 Ni\n0.500002 0.000000 -0.000000 O\n0.150341 0.910179 0.300682 O\n0.849660 0.089819 0.699318 O\n0.849659 0.609496 0.699318 O\n0.150341 0.390501 0.300682 O\n",
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{
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"structure_string": "Cd1 H4 C4 O4\n1.0\n4.068724 0.056177 0.508557\n0.898827 3.967315 0.537615\n0.031518 -0.025620 7.450774\nCd H C O\n1 4 4 4\ndirect\n0.301597 0.209757 0.716522 Cd\n0.527441 0.134148 0.338732 H\n0.958180 -0.007818 0.258456 H\n0.376639 0.982588 0.094039 H\n0.519517 0.552294 0.174610 H\n0.765245 0.652817 0.461849 C\n0.720843 0.913872 0.298110 C\n0.597308 0.789757 0.134844 C\n0.858580 0.745709 0.971205 C\n0.528384 0.684606 0.595574 O\n0.025665 0.411000 0.461223 O\n0.826893 0.982866 0.837610 O\n0.100383 0.485327 0.971773 O\n",
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{
"id": "jvasp-102728",
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"structure_string": "La2 Ge4 Pd2 Rh2\n1.0\n4.423552 -0.000000 0.000000\n0.000000 4.423552 0.000000\n-0.000000 -0.000000 9.909768\nLa Ge Pd Rh\n2 4 2 2\ndirect\n-0.000000 0.500000 0.255276 La\n0.500000 0.000000 0.744725 La\n-0.000000 0.500000 0.867702 Ge\n0.500000 0.000000 0.132298 Ge\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.500000 Ge\n0.500000 0.500000 -0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n-0.000000 0.500000 0.621134 Rh\n0.500000 0.000000 0.378866 Rh\n",
"nsites": 10,
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"elements": [
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"density": 8.452207356021752,
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"volume": 193.91248012788378,
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"formula_full": "La2 Ge4 Pd2 Rh2",
"formula_reduced": "LaGe2PdRh",
"formula_anonymous": "ABCD2",
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"spacegroup": 129
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{
"id": "jvasp-42155",
"created_at": "2022-09-04T14:36:44.867239Z",
"updated_at": "2022-09-04T14:36:44.867260Z",
"structure_string": "Li4 V2 O4 F2\n1.0\n-0.000001 -2.036057 -2.036034\n0.010267 4.154855 -4.154837\n6.217621 0.027940 -2.063978\nLi V O F\n4 2 4 2\ndirect\n0.000618 0.485369 -0.001239 Li\n0.332745 0.181304 0.334561 Li\n0.666636 0.333331 0.666666 Li\n0.666642 0.833337 0.666663 Li\n0.992328 0.004777 0.015330 V\n0.341014 0.661886 0.318008 V\n0.504600 0.238286 0.990785 O\n0.499883 0.758644 0.000231 O\n0.828735 0.428378 0.342553 O\n0.833464 0.908022 0.333105 O\n0.163796 0.078659 0.672383 F\n0.169532 0.588008 0.660956 F\n",
"nsites": 12,
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"elements": [
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],
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"density_atomic": 0.11412088574334357,
"volume": 105.15165494761273,
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"formula_full": "Li4 V2 O4 F2",
"formula_reduced": "Li2VO2F",
"formula_anonymous": "ABC2D2",
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"spacegroup": 12
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{
"id": "jvasp-16128",
"created_at": "2022-09-04T14:36:40.317448Z",
"updated_at": "2022-09-04T14:36:40.317470Z",
"structure_string": "Sm1 Ni2 B2 C1\n1.0\n3.463899 -0.000000 -1.153503\n-0.384125 3.442534 -1.153503\n-0.034045 -0.038056 5.675448\nSm Ni B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.249998 0.749998 0.500000 Ni\n0.749999 0.249999 0.500000 Ni\n0.352837 0.352837 0.705677 B\n0.647160 0.647160 0.294324 B\n0.499999 0.499999 0.000000 C\n",
"nsites": 6,
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},
{
"id": "jvasp-47889",
"created_at": "2022-09-04T14:36:49.241159Z",
"updated_at": "2022-09-04T14:36:49.241183Z",
"structure_string": "Li4 Cr2 Si2 O8\n1.0\n0.000000 4.830007 0.034648\n5.620423 0.000000 0.000000\n0.000000 -4.719458 -6.265924\nLi Cr Si O\n4 2 2 8\ndirect\n0.505928 0.815234 0.001693 Li\n0.250125 0.346590 0.744779 Li\n0.505927 0.184765 0.501693 Li\n0.250126 0.653409 0.244779 Li\n0.010391 0.152653 -0.011103 Cr\n0.010390 0.847347 0.488896 Cr\n0.739082 0.666155 0.746533 Si\n0.739082 0.333844 0.246533 Si\n0.064956 0.801813 0.966832 O\n0.847496 0.389441 0.743225 O\n0.399749 0.663396 0.749125 O\n0.619271 0.821851 0.528912 O\n0.064956 0.198187 0.466832 O\n0.847496 0.610559 0.243226 O\n0.399749 0.336603 0.249126 O\n0.619272 0.178148 0.028913 O\n",
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"density_atomic": 0.0945738274536111,
"volume": 169.17999864019538,
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"formula_full": "Li4 Cr2 Si2 O8",
"formula_reduced": "Li2CrSiO4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 7
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{
"id": "jvasp-101175",
"created_at": "2022-09-04T14:37:01.135193Z",
"updated_at": "2022-09-04T14:37:01.135212Z",
"structure_string": "La1 Nd1 Cu1 O4\n1.0\n3.805125 -0.011443 -5.662493\n-0.362927 3.787795 -5.662493\n0.010431 0.011443 6.822221\nLa Nd Cu O\n1 1 1 4\ndirect\n0.350343 0.350343 0.000001 La\n0.647857 0.647858 0.000002 Nd\n0.002849 0.002849 0.000000 Cu\n0.747442 0.247442 0.500001 O\n0.247441 0.747443 0.500001 O\n0.002034 0.502034 0.500000 O\n0.502035 0.002034 0.500001 O\n",
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"volume": 98.79504343648372,
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"formula_full": "La1 Nd1 Cu1 O4",
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},
{
"id": "jvasp-58227",
"created_at": "2022-09-04T14:36:55.644436Z",
"updated_at": "2022-09-04T14:36:55.644454Z",
"structure_string": "Ba1 Mg1 Co4 O8\n1.0\n2.624671 -4.546063 0.000000\n2.624671 4.546063 0.000000\n0.000000 0.000000 7.191770\nBa Mg Co O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.744913 Co\n0.666667 0.333333 0.744913 Co\n0.333333 0.666667 0.255087 Co\n0.666667 0.333333 0.255087 Co\n0.318561 0.318561 0.677679 O\n0.681438 0.000000 0.677679 O\n0.000000 0.681438 0.677679 O\n0.681438 0.681438 0.322321 O\n0.000000 0.318561 0.322321 O\n0.318561 0.000000 0.322321 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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],
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"formula_full": "Ba1 Mg1 Co4 O8",
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"spacegroup": 162
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{
"id": "jvasp-48307",
"created_at": "2022-09-04T14:36:54.793863Z",
"updated_at": "2022-09-04T14:36:54.793888Z",
"structure_string": "Li2 Fe1 P4 O12\n1.0\n-5.137428 -0.176338 0.203737\n2.644428 6.774678 -0.350405\n-0.774804 -2.791878 -6.528800\nLi Fe P O\n2 1 4 12\ndirect\n0.942143 0.275908 0.437948 Li\n0.057856 0.724091 0.562051 Li\n0.000000 0.000000 0.000000 Fe\n0.550472 0.205758 0.788538 P\n0.438071 0.578106 0.769932 P\n0.561928 0.421893 0.230067 P\n0.449527 0.794241 0.211461 P\n0.300302 0.011987 0.806065 O\n0.590335 0.659175 0.269783 O\n0.749894 0.727459 0.792958 O\n0.247933 0.561716 0.614697 O\n0.752066 0.438283 0.385302 O\n0.699697 0.988012 0.193934 O\n0.409664 0.340824 0.730215 O\n0.307740 0.640832 0.986640 O\n0.692259 0.359167 0.013358 O\n0.774443 0.170464 0.654647 O\n0.250105 0.272540 0.207041 O\n0.225556 0.829535 0.345351 O\n",
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{
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"created_at": "2022-09-04T14:36:45.906602Z",
"updated_at": "2022-09-04T14:36:45.906622Z",
"structure_string": "Ba1 Ga2 Si1 S6\n1.0\n5.993393 0.022882 -1.400718\n-1.176347 6.048658 -1.052870\n-0.049526 0.041928 6.385950\nBa Ga Si S\n1 2 1 6\ndirect\n0.469521 0.457671 0.443441 Ba\n0.998026 0.845686 0.265994 Ga\n0.263455 0.984416 0.858410 Ga\n0.844882 0.274512 0.995552 Si\n0.036739 0.711036 0.581899 S\n0.591320 0.049761 0.734940 S\n0.711954 0.575882 0.017470 S\n0.896590 0.190434 0.313701 S\n0.345240 0.899780 0.198530 S\n0.158311 0.326867 0.906104 S\n",
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{
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"created_at": "2022-09-04T14:36:44.842108Z",
"updated_at": "2022-09-04T14:36:44.842116Z",
"structure_string": "Li4 Si2 Ni2 O8\n1.0\n4.862989 0.000000 0.000000\n0.000000 5.275621 0.000000\n0.000000 0.000000 6.311904\nLi Si Ni O\n4 2 2 8\ndirect\n0.007739 0.671791 0.249332 Li\n0.507739 0.328209 0.250668 Li\n0.007739 0.671791 0.750667 Li\n0.507739 0.328209 0.749332 Li\n0.498052 0.836248 0.000000 Si\n0.998052 0.163752 0.500000 Si\n0.013633 0.188400 0.000000 Ni\n0.513633 0.811600 0.500000 Ni\n0.157577 0.836792 0.000000 O\n0.605827 0.134230 0.000000 O\n0.104718 0.314350 0.285556 O\n0.604718 0.685650 0.214444 O\n0.105826 0.865770 0.500000 O\n0.657577 0.163208 0.500000 O\n0.604718 0.685650 0.785555 O\n0.104718 0.314350 0.714444 O\n",
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{
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"created_at": "2022-09-04T14:36:45.889617Z",
"updated_at": "2022-09-04T14:36:45.889640Z",
"structure_string": "Sr2 Mn3 Bi2 O2\n1.0\n4.079726 -0.000034 -0.784963\n-0.151028 4.076839 -0.784885\n0.004316 0.004268 11.018290\nSr Mn Bi O\n2 3 2 2\ndirect\n0.577645 0.577646 0.155308 Sr\n0.422354 0.422353 0.844687 Sr\n0.999998 0.999999 0.999995 Mn\n0.750006 0.249993 0.499998 Mn\n0.250000 0.750014 0.500011 Mn\n0.837950 0.837949 0.675865 Bi\n0.162055 0.162056 0.324143 Bi\n0.499999 0.999999 0.999997 O\n1.000000 0.500000 0.999997 O\n",
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],
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"volume": 183.28838113661953,
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"formula_full": "Sr2 Mn3 Bi2 O2",
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}
]
}