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{
"id": "jvasp-4119",
"created_at": "2022-09-04T14:36:48.830480Z",
"updated_at": "2022-09-04T14:36:48.830504Z",
"structure_string": "Mg1 H2 O2\n1.0\n1.581190 -2.738702 0.000000\n1.581190 2.738702 0.000000\n0.000000 0.000000 4.685848\nMg H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.431302 H\n0.333333 0.666667 0.568699 H\n0.666667 0.333333 0.223476 O\n0.333333 0.666667 0.776524 O\n",
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{
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"structure_string": "Na4 Ir2 O6\n1.0\n5.501519 -0.000626 -0.000098\n-2.740281 4.770483 0.000035\n-0.934253 -1.613788 5.253253\nNa Ir O\n4 2 6\ndirect\n0.500255 0.000143 0.500157 Na\n0.840995 0.659427 0.500158 Na\n0.159510 0.340917 0.500161 Na\n0.000234 0.500169 0.000153 Na\n0.667238 0.833166 0.000162 Ir\n0.333241 0.167181 0.000170 Ir\n0.564114 0.430289 0.792971 O\n0.436358 0.570054 0.207362 O\n0.706464 0.206402 0.208956 O\n0.930359 0.064044 0.792972 O\n0.070122 0.936293 0.207355 O\n0.294021 0.793952 0.791375 O\n",
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{
"id": "jvasp-105289",
"created_at": "2022-09-04T14:36:48.837076Z",
"updated_at": "2022-09-04T14:36:48.837103Z",
"structure_string": "Pr3 Cd3 Au3\n1.0\n7.939734 -0.000000 0.000000\n-3.969867 6.876012 0.000000\n0.000000 -0.000000 4.077921\nPr Cd Au\n3 3 3\ndirect\n0.595842 0.000000 -0.000000 Pr\n-0.000000 0.595842 -0.000000 Pr\n0.404157 0.404157 -0.000000 Pr\n0.257003 0.000000 0.500000 Cd\n-0.000000 0.257003 0.500000 Cd\n0.742996 0.742997 0.500000 Cd\n0.333333 0.666666 0.500000 Au\n0.666666 0.333333 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 9,
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"formula_full": "Pr3 Cd3 Au3",
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"spacegroup": 189
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{
"id": "jvasp-107183",
"created_at": "2022-09-04T14:36:48.838099Z",
"updated_at": "2022-09-04T14:36:48.838130Z",
"structure_string": "Li2 Tl1 Cd1\n1.0\n4.149285 -0.000000 2.395591\n1.383095 3.911983 2.395591\n0.000000 0.000000 4.791181\nLi Tl Cd\n2 1 1\ndirect\n0.249999 0.250000 0.250000 Li\n0.749998 0.749999 0.750001 Li\n0.000000 0.000000 0.000000 Tl\n0.499999 0.500000 0.500000 Cd\n",
"nsites": 4,
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"volume": 77.77012602266578,
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"formula_full": "Li2 Tl1 Cd1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-42181",
"created_at": "2022-09-04T14:36:48.765208Z",
"updated_at": "2022-09-04T14:36:48.765224Z",
"structure_string": "Na6 V2 O8\n1.0\n5.557682 0.000000 0.000000\n0.000000 6.114351 0.000000\n0.000000 0.000000 7.072385\nNa V O\n6 2 8\ndirect\n0.511989 0.844656 0.000000 Na\n0.009789 0.674214 0.244634 Na\n0.509789 0.325786 0.255367 Na\n0.011989 0.155344 0.500000 Na\n0.509789 0.325786 0.744634 Na\n0.009789 0.674214 0.755367 Na\n0.999641 0.176506 0.000000 V\n0.499642 0.823494 0.500000 V\n0.097415 0.906139 0.000000 O\n0.688703 0.180039 0.000000 O\n0.098970 0.310457 0.203314 O\n0.598970 0.689543 0.296686 O\n0.188703 0.819961 0.500000 O\n0.597415 0.093861 0.500000 O\n0.598970 0.689543 0.703314 O\n0.098970 0.310457 0.796686 O\n",
"nsites": 16,
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],
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"volume": 240.3310889153898,
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"formula_full": "Na6 V2 O8",
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{
"id": "jvasp-7744",
"created_at": "2022-09-04T14:36:48.779217Z",
"updated_at": "2022-09-04T14:36:48.779248Z",
"structure_string": "Mn1 C1 N2\n1.0\n3.165868 0.015423 4.095450\n1.409329 2.834916 4.095450\n0.024756 0.015423 5.176371\nMn C N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500000 0.499999 C\n0.414331 0.414329 0.414329 N\n0.585672 0.585670 0.585669 N\n",
"nsites": 4,
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"volume": 45.94844954798091,
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"formula_full": "Mn1 C1 N2",
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},
{
"id": "jvasp-48617",
"created_at": "2022-09-04T14:36:48.784486Z",
"updated_at": "2022-09-04T14:36:48.784503Z",
"structure_string": "Li6 Mn2 F10\n1.0\n5.049349 0.116840 0.027942\n-2.159727 5.152979 -0.030903\n-2.382490 -2.032924 7.109661\nLi Mn F\n6 2 10\ndirect\n0.682733 0.455785 0.908867 Li\n0.330645 0.973414 0.697873 Li\n0.939060 0.564113 0.297480 Li\n0.060940 0.435888 0.702520 Li\n0.669355 0.026588 0.302128 Li\n0.317267 0.544216 0.091133 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500001 0.500000 Mn\n0.252032 0.249822 0.860912 F\n0.365893 0.737997 0.331365 F\n0.119803 0.701719 0.926539 F\n0.446274 0.252274 0.239425 F\n0.954899 0.716199 0.537676 F\n0.634108 0.262004 0.668635 F\n0.747968 0.750179 0.139088 F\n0.045101 0.283802 0.462324 F\n0.880197 0.298282 0.073461 F\n0.553726 0.747727 0.760575 F\n",
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"volume": 186.93879322114944,
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"formula_full": "Li6 Mn2 F10",
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"formula_anonymous": "AB3C5",
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"spacegroup": 2
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{
"id": "jvasp-100290",
"created_at": "2022-09-04T14:36:48.796399Z",
"updated_at": "2022-09-04T14:36:48.796421Z",
"structure_string": "Li1 Ca2 Ge1\n1.0\n4.457366 -0.000000 2.573461\n1.485789 4.202445 2.573461\n0.000000 0.000000 5.146923\nLi Ca Ge\n1 2 1\ndirect\n0.500000 0.500001 0.499999 Li\n0.250000 0.250000 0.249999 Ca\n0.750001 0.750001 0.749998 Ca\n0.000000 0.000000 0.000000 Ge\n",
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"spacegroup": 225
},
{
"id": "jvasp-107684",
"created_at": "2022-09-04T14:36:48.796772Z",
"updated_at": "2022-09-04T14:36:48.796791Z",
"structure_string": "Pa1 Zn1 Ni2\n1.0\n3.892265 0.000000 2.247200\n1.297422 3.669662 2.247200\n0.000000 0.000000 4.494400\nPa Zn Ni\n1 1 2\ndirect\n0.499999 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Ni\n0.749999 0.750000 0.750001 Ni\n",
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},
{
"id": "jvasp-101106",
"created_at": "2022-09-04T14:36:48.805109Z",
"updated_at": "2022-09-04T14:36:48.805133Z",
"structure_string": "Ta1 V1 C2\n1.0\n2.946851 -0.001368 4.377094\n1.335119 2.627050 4.377094\n-0.002232 -0.001368 5.276636\nTa V C\n1 1 2\ndirect\n0.500000 0.499999 0.500000 Ta\n0.000000 0.000000 0.000000 V\n0.253950 0.253949 0.253950 C\n0.746051 0.746049 0.746050 C\n",
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{
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"created_at": "2022-09-04T14:36:49.063261Z",
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"structure_string": "Ho4 Co2 Si4\n1.0\n4.963939 -0.009091 2.513990\n3.259701 3.743677 2.513990\n-0.001506 -0.000684 9.937293\nHo Co Si\n4 2 4\ndirect\n0.000417 0.000418 0.328476 Ho\n-0.000418 -0.000417 0.671523 Ho\n0.813670 0.813672 0.106288 Ho\n0.186328 0.186331 0.893711 Ho\n0.726844 0.726847 0.623921 Co\n0.273154 0.273155 0.376079 Co\n0.651805 0.651808 0.433309 Si\n0.348193 0.348195 0.566691 Si\n0.507495 0.507496 0.125735 Si\n0.492503 0.492506 0.874265 Si\n",
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{
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"structure_string": "Re2 Au1 Se1\n1.0\n-0.000000 3.217019 3.217019\n3.217019 0.000000 3.217019\n3.217019 3.217019 0.000000\nRe Au Se\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.750000 0.750000 0.750000 Re\n0.500000 0.500000 0.500000 Au\n0.250000 0.250000 0.250000 Se\n",
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}