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{
"id": "jvasp-9725",
"created_at": "2022-09-04T14:37:19.460217Z",
"updated_at": "2022-09-04T14:37:19.460249Z",
"structure_string": "Sc2 Si2 O7\n1.0\n4.688281 0.001333 -0.634526\n-0.921840 5.113208 -1.402450\n-0.002214 0.003898 5.381592\nSc Si O\n2 2 7\ndirect\n0.000001 0.309475 0.690525 Sc\n0.000000 0.690526 0.309475 Sc\n0.408217 0.224835 0.224835 Si\n0.591783 0.775165 0.775164 Si\n0.786904 0.922086 0.605193 O\n0.213097 0.394806 0.077914 O\n0.213097 0.077914 0.394806 O\n0.786904 0.605194 0.922085 O\n0.500000 -0.000000 -0.000000 O\n0.278743 0.604756 0.604755 O\n0.721258 0.395245 0.395244 O\n",
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{
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{
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"structure_string": "Cr1 O3\n1.0\n3.606819 0.000000 0.000000\n0.000000 3.605640 -0.092202\n0.000000 0.092224 3.605639\nCr O\n1 3\ndirect\n0.500001 0.499999 0.499999 Cr\n0.500001 0.499999 0.000001 O\n0.500001 0.000000 0.500001 O\n0.000000 0.499999 0.499999 O\n",
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},
{
"id": "jvasp-79646",
"created_at": "2022-09-04T14:37:08.862549Z",
"updated_at": "2022-09-04T14:37:08.862577Z",
"structure_string": "Pd2 N2\n1.0\n-1.512668 -3.635484 -0.000000\n-1.512668 3.635484 0.000000\n0.000000 -0.000000 -4.266098\nPd N\n2 2\ndirect\n0.614695 0.385306 0.750000 Pd\n0.385306 0.614695 0.250000 Pd\n0.671475 0.328526 0.250000 N\n0.328526 0.671475 0.750000 N\n",
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{
"id": "jvasp-48630",
"created_at": "2022-09-04T14:37:12.538348Z",
"updated_at": "2022-09-04T14:37:12.538377Z",
"structure_string": "Li4 Mn6 O2 F12\n1.0\n5.881925 -0.134997 -0.091293\n0.735741 6.563528 -0.021536\n2.411063 2.670090 7.231839\nLi Mn O F\n4 6 2 12\ndirect\n0.290293 0.876816 0.484904 Li\n0.094575 0.314757 0.085222 Li\n0.905425 0.685243 0.914778 Li\n0.709707 0.123183 0.515096 Li\n0.744429 0.548872 0.655662 Mn\n0.897854 0.812437 0.225489 Mn\n0.379493 0.754760 0.937685 Mn\n0.620507 0.245240 0.062315 Mn\n0.102146 0.187563 0.774511 Mn\n0.255571 0.451128 0.344338 Mn\n0.091033 0.588741 0.133846 O\n0.908967 0.411258 0.866154 O\n0.579179 0.558169 0.129988 F\n0.080409 0.708766 0.448594 F\n0.420821 0.441830 0.870012 F\n0.583171 0.724037 0.443115 F\n0.767473 0.968304 0.989268 F\n0.172839 0.877753 0.732736 F\n0.317886 0.152363 0.282839 F\n0.682114 0.847637 0.717161 F\n0.827161 0.122247 0.267264 F\n0.232527 0.031696 0.010732 F\n0.416829 0.275963 0.556885 F\n0.919592 0.291234 0.551406 F\n",
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{
"id": "jvasp-42418",
"created_at": "2022-09-04T14:37:29.695813Z",
"updated_at": "2022-09-04T14:37:29.695824Z",
"structure_string": "V4 O8 F4\n1.0\n4.969930 0.001454 0.028776\n2.333887 4.401398 0.026227\n2.180550 1.217621 8.597302\nV O F\n4 8 4\ndirect\n0.000000 0.000000 0.000000 V\n0.212494 0.312189 0.250298 V\n0.500000 0.500000 0.500000 V\n0.787506 0.687810 0.749703 V\n0.222389 0.621691 0.120827 O\n0.126923 0.519711 0.627260 O\n0.044905 0.195155 0.127282 O\n0.530486 0.716168 0.623917 O\n0.469515 0.283831 0.376083 O\n0.955097 0.804844 0.872719 O\n0.873078 0.480288 0.372741 O\n0.777611 0.378308 0.879174 O\n0.272472 0.869016 0.377173 F\n0.372630 0.984734 0.872310 F\n0.627371 0.015265 0.127691 F\n0.727529 0.130983 0.622828 F\n",
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"elements": [
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"density": 3.607685109123665,
"density_atomic": 0.08525118280063311,
"volume": 187.68068048295956,
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"formula_full": "V4 O8 F4",
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"formula_anonymous": "ABC2",
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{
"id": "jvasp-49861",
"created_at": "2022-09-04T14:37:09.707481Z",
"updated_at": "2022-09-04T14:37:09.707507Z",
"structure_string": "Li2 Lu2 O4\n1.0\n0.000000 4.348684 0.000000\n2.174342 -2.174342 4.961984\n4.348684 0.000000 0.000000\nLi Lu O\n2 2 4\ndirect\n0.250000 0.500000 0.250000 Li\n0.499999 0.000000 0.499999 Li\n0.000000 0.000000 0.000000 Lu\n0.749999 0.500000 0.749999 Lu\n0.774372 0.548745 0.225627 O\n0.225627 0.451254 0.774372 O\n0.524372 0.048746 0.975627 O\n0.975627 0.951253 0.524372 O\n",
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"volume": 93.83634008622899,
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"formula_full": "Li2 Lu2 O4",
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"spacegroup": 141
},
{
"id": "jvasp-100145",
"created_at": "2022-09-04T14:36:34.462488Z",
"updated_at": "2022-09-04T14:36:34.462512Z",
"structure_string": "Al1 Fe2 Ge1\n1.0\n3.506029 0.000000 2.024207\n1.168677 3.305516 2.024207\n-0.000000 -0.000000 4.048415\nAl Fe Ge\n1 2 1\ndirect\n0.500000 0.500001 0.500000 Al\n0.250000 0.250000 0.250000 Fe\n0.750001 0.750001 0.750000 Fe\n0.000000 0.000000 0.000000 Ge\n",
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{
"id": "jvasp-48418",
"created_at": "2022-09-04T14:36:09.041734Z",
"updated_at": "2022-09-04T14:36:09.041766Z",
"structure_string": "Mn6 O4 F8\n1.0\n4.757360 -0.220219 -0.000510\n-0.220219 4.757360 -0.000510\n-0.001100 -0.001100 9.348607\nMn O F\n6 4 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.966324 0.966324 0.331298 Mn\n0.033676 0.033676 0.668703 Mn\n0.498717 0.498717 0.843239 Mn\n0.501283 0.501283 0.156762 Mn\n0.500000 0.500000 0.500000 Mn\n0.673907 0.673907 0.328637 O\n0.697207 0.697207 0.998793 O\n0.302793 0.302793 0.001207 O\n0.326093 0.326093 0.671363 O\n0.802372 0.197628 0.500000 F\n0.184056 0.793760 0.167465 F\n0.197628 0.802372 0.500000 F\n0.206240 0.815944 0.832536 F\n0.280833 0.280833 0.324848 F\n0.719167 0.719167 0.675152 F\n0.793760 0.184056 0.167465 F\n0.815944 0.206240 0.832536 F\n",
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{
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"created_at": "2022-09-04T14:37:01.952674Z",
"updated_at": "2022-09-04T14:37:01.952694Z",
"structure_string": "Lu4 Pt4 O14\n1.0\n-5.053014 5.053014 -0.000000\n5.053014 0.000000 5.053014\n5.053014 5.053014 -0.000000\nLu Pt O\n4 4 14\ndirect\n0.500000 0.000000 0.000000 Lu\n0.500000 0.000000 0.500000 Lu\n0.500000 0.500000 0.500000 Lu\n-0.000000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.000000 Pt\n-0.000000 0.000000 0.500000 Pt\n-0.000000 0.500000 0.000000 Pt\n0.344873 0.250000 0.905126 O\n0.375000 0.749999 0.375000 O\n0.655126 0.749999 0.655126 O\n0.094873 0.189748 0.655126 O\n0.094873 0.749999 0.094873 O\n0.905126 0.810251 0.344873 O\n0.655126 0.749999 0.094873 O\n0.625000 0.250000 0.625000 O\n0.344873 0.250000 0.344873 O\n0.344873 0.689748 0.905126 O\n0.655126 0.310251 0.094873 O\n0.905126 0.250000 0.344873 O\n0.905126 0.250000 0.905126 O\n0.094873 0.749999 0.655126 O\n",
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{
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"structure_string": "Mn6 O4 F8\n1.0\n-4.504529 4.504529 3.078931\n0.236722 4.773722 -3.126489\n-4.773722 -0.236722 -3.126489\nMn O F\n6 4 8\ndirect\n0.836838 0.668563 0.668563 Mn\n0.670829 0.350795 0.350795 Mn\n0.329170 0.649206 0.649206 Mn\n0.163162 0.331437 0.331437 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.371908 0.428141 0.428141 O\n0.040627 0.761687 0.761687 O\n0.628092 0.571860 0.571860 O\n0.959373 0.238314 0.238314 O\n-0.000000 0.302302 0.697698 F\n0.674009 0.028315 0.642570 F\n0.325991 0.357431 0.971685 F\n0.310109 0.879688 0.879688 F\n0.689891 0.120313 0.120313 F\n0.325991 0.971685 0.357431 F\n0.674009 0.642570 0.028315 F\n-0.000000 0.697698 0.302302 F\n",
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{
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}
]
}