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{
"id": "jvasp-79371",
"created_at": "2022-09-04T14:36:40.652775Z",
"updated_at": "2022-09-04T14:36:40.652792Z",
"structure_string": "Zn3 Co1\n1.0\n-1.815924 1.815924 3.955742\n1.815924 -1.815924 3.955742\n1.815924 1.815924 -3.955742\nZn Co\n3 1\ndirect\n0.749997 0.250000 0.499997 Zn\n0.250000 0.749997 0.499997 Zn\n0.499999 0.499999 0.000000 Zn\n0.000000 0.000000 0.000000 Co\n",
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{
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{
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"structure_string": "Zn3 Cr1\n1.0\n3.767723 -0.000000 0.000000\n0.000000 3.767723 0.000000\n-0.000000 -0.000000 3.767723\nZn Cr\n3 1\ndirect\n-0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.000000 0.000000 0.000000 Cr\n",
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{
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"updated_at": "2022-09-04T14:36:09.330553Z",
"structure_string": "Zn3 Cr1 Se4\n1.0\n5.742132 -0.000000 0.000000\n0.000000 5.742132 -0.000000\n0.000000 0.000000 5.742132\nZn Cr Se\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cr\n0.748857 0.748857 0.251142 Se\n0.748857 0.251142 0.748857 Se\n0.251142 0.748857 0.748857 Se\n0.251142 0.251142 0.251142 Se\n",
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"elements": [
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"density": 4.947174984291257,
"density_atomic": 0.042254257199307546,
"volume": 189.33003513149208,
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"formula_full": "Zn3 Cr1 Se4",
"formula_reduced": "Zn3CrSe4",
"formula_anonymous": "AB3C4",
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"spacegroup": 215
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{
"id": "jvasp-91945",
"created_at": "2022-09-04T14:36:04.824596Z",
"updated_at": "2022-09-04T14:36:04.824624Z",
"structure_string": "Zn3 Cr1 Te4\n1.0\n6.184761 0.000000 0.000000\n-0.000000 6.184761 0.000000\n-0.000000 -0.000000 6.184761\nZn Cr Te\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cr\n0.749201 0.749201 0.250799 Te\n0.749201 0.250799 0.749201 Te\n0.250799 0.749201 0.749201 Te\n0.250799 0.250799 0.250799 Te\n",
"nsites": 8,
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"formula_full": "Zn3 Cr1 Te4",
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{
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"created_at": "2022-09-04T14:36:33.846460Z",
"updated_at": "2022-09-04T14:36:33.846493Z",
"structure_string": "Zn3 Fe1 S4\n1.0\n3.779541 0.000891 12.151989\n1.846896 3.297561 12.151989\n0.001520 0.000891 12.726184\nZn Fe S\n3 1 4\ndirect\n-0.000244 -0.000244 -0.000244 Zn\n0.750183 0.750182 0.750182 Zn\n0.500598 0.500597 0.500597 Zn\n0.249652 0.249651 0.249651 Fe\n0.062325 0.062325 0.062325 S\n0.812698 0.812696 0.812697 S\n0.563248 0.563247 0.563247 S\n0.311546 0.311545 0.311545 S\n",
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"volume": 158.50706863603793,
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{
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"created_at": "2022-09-04T14:38:12.371337Z",
"updated_at": "2022-09-04T14:38:12.371357Z",
"structure_string": "Zn3 Ga1 B6 P1 O12\n1.0\n6.628302 0.000000 0.000000\n-2.209435 6.282905 0.000000\n-2.209435 -3.141453 5.441155\nZn Ga B P O\n3 1 6 1 12\ndirect\n0.000049 0.000001 0.665286 Zn\n0.000048 0.665285 -0.000000 Zn\n0.334764 0.334714 0.334715 Zn\n0.654529 -0.000000 -0.000000 Ga\n0.750351 0.247878 0.501676 B\n0.248676 0.746202 0.498325 B\n0.502473 0.752122 0.253798 B\n0.248676 0.498325 0.746203 B\n0.502474 0.253798 0.752123 B\n0.750351 0.501675 0.247878 B\n0.993740 -0.000000 -0.000000 P\n-0.000024 0.431474 0.713165 O\n0.720456 0.427072 -0.000000 O\n0.706950 0.275920 0.275920 O\n0.568501 0.568526 0.281691 O\n0.568501 0.281691 0.568526 O\n0.431030 0.724080 -0.000000 O\n0.286810 0.718309 0.286835 O\n0.293384 0.572928 0.572928 O\n0.431030 0.000001 0.724081 O\n-0.000025 0.713165 0.431474 O\n0.720457 0.000000 0.427073 O\n0.286811 0.286836 0.718310 O\n",
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"formula_full": "Zn3 Ga1 B6 P1 O12",
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{
"id": "jvasp-78995",
"created_at": "2022-09-04T14:37:09.759988Z",
"updated_at": "2022-09-04T14:37:09.760004Z",
"structure_string": "Zn3 Ge1\n1.0\n-2.031027 2.031027 4.035108\n2.031027 -2.031027 4.035108\n2.031027 2.031027 -4.035108\nZn Ge\n3 1\ndirect\n0.750002 0.249999 0.500003 Zn\n0.249999 0.750002 0.500003 Zn\n0.499999 0.499999 0.000000 Zn\n0.000000 0.000000 0.000000 Ge\n",
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{
"id": "jvasp-79369",
"created_at": "2022-09-04T14:36:39.994583Z",
"updated_at": "2022-09-04T14:36:39.994597Z",
"structure_string": "Zn3 In1\n1.0\n-2.095050 2.095050 4.181072\n2.095050 -2.095050 4.181072\n2.095050 2.095050 -4.181072\nZn In\n3 1\ndirect\n0.750001 0.250001 0.500000 Zn\n0.250001 0.750001 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 In\n",
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{
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"created_at": "2022-09-04T14:38:46.605268Z",
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"structure_string": "Zn3 In2 O6\n1.0\n3.414695 -0.000346 13.815005\n1.681746 2.971846 13.815005\n-0.000594 -0.000346 14.230759\nZn In O\n3 2 6\ndirect\n0.262336 0.262335 0.262336 Zn\n0.738186 0.738184 0.738185 Zn\n0.131157 0.131157 0.131157 Zn\n0.000311 0.000311 0.000311 In\n0.863223 0.863220 0.863221 In\n0.915199 0.915196 0.915197 O\n0.083976 0.083976 0.083976 O\n0.195177 0.195176 0.195177 O\n0.810555 0.810553 0.810554 O\n0.308695 0.308694 0.308695 O\n0.691240 0.691237 0.691239 O\n",
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{
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"structure_string": "Zn3 In2 S6\n1.0\n3.899242 0.000000 -0.000000\n-1.949621 3.376842 -0.000000\n-0.000000 0.000000 18.404718\nZn In S\n3 2 6\ndirect\n0.000000 0.000000 0.799926 Zn\n0.333333 0.666667 0.631985 Zn\n0.000000 0.000000 0.222514 Zn\n0.666667 0.333333 0.426125 In\n0.333333 0.666667 0.037948 In\n0.333333 0.666667 0.837722 S\n0.000000 0.000000 0.665987 S\n0.333333 0.666667 0.176239 S\n0.000000 0.000000 0.345894 S\n0.000000 0.000000 0.981598 S\n0.333333 0.666667 0.498461 S\n",
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"volume": 242.33720692101505,
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{
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"structure_string": "Zn3 Ir1\n1.0\n-1.864384 1.864384 4.071942\n1.864384 -1.864384 4.071942\n1.864384 1.864384 -4.071942\nZn Ir\n3 1\ndirect\n0.749998 0.250000 0.499998 Zn\n0.250000 0.749998 0.499998 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Ir\n",
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