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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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{
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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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"volume": 226.5968552340692,
"volume_molar": 5.9330354695343805,
"formula_full": "Zn3 Ga1 B6 P1 O12",
"formula_reduced": "Zn3GaB6PO12",
"formula_anonymous": "ABC3D6E12",
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{
"id": "jvasp-99499",
"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",
"nsites": 8,
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"density": 3.9844036591723424,
"density_atomic": 0.05047093526389985,
"volume": 158.50706863603793,
"volume_molar": 11.931898484765021,
"formula_full": "Zn3 Fe1 S4",
"formula_reduced": "Zn3FeS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.8268270874999999,
"spacegroup": 160
},
{
"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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"elements": [
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"chemical_system": "Cr-Te-Zn",
"density": 5.324837946352325,
"density_atomic": 0.03381592113206642,
"volume": 236.5749544055415,
"volume_molar": 17.808595946509413,
"formula_full": "Zn3 Cr1 Te4",
"formula_reduced": "Zn3CrTe4",
"formula_anonymous": "AB3C4",
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"spacegroup": 215
},
{
"id": "jvasp-92181",
"created_at": "2022-09-04T14:36:09.330538Z",
"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,
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"volume": 189.33003513149208,
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"formula_full": "Zn3 Cr1 Se4",
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{
"id": "jvasp-110059",
"created_at": "2022-09-04T14:37:52.695383Z",
"updated_at": "2022-09-04T14:37:52.695403Z",
"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",
"nsites": 4,
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"elements": [
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"density": 7.706450508040702,
"density_atomic": 0.07478647996166785,
"volume": 53.48560330757937,
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"formula_full": "Zn3 Cr1",
"formula_reduced": "Zn3Cr",
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"spacegroup": 221
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{
"id": "jvasp-37614",
"created_at": "2022-09-04T14:37:48.570030Z",
"updated_at": "2022-09-04T14:37:48.570051Z",
"structure_string": "Zn3 Co1\n1.0\n3.730357 0.000000 -0.000000\n0.000000 3.730357 0.000000\n0.000000 0.000000 3.730357\nZn Co\n3 1\ndirect\n0.000000 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 Co\n",
"nsites": 4,
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"volume": 51.91001914209982,
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"spacegroup": 221
},
{
"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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"volume": 52.17750240249849,
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{
"id": "jvasp-37639",
"created_at": "2022-09-04T14:38:03.870991Z",
"updated_at": "2022-09-04T14:38:03.871012Z",
"structure_string": "Zn3 Cd1 S4\n1.0\n5.551371 -0.000000 -0.000000\n-0.000000 5.551371 -0.000000\n-0.000000 0.000000 5.551371\nZn Cd S\n3 1 4\ndirect\n0.000000 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 Cd\n0.262259 0.262259 0.262259 S\n0.737741 0.737741 0.262259 S\n0.262259 0.737741 0.737741 S\n0.737741 0.262259 0.737741 S\n",
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"spacegroup": 215
},
{
"id": "jvasp-110120",
"created_at": "2022-09-04T14:38:03.135163Z",
"updated_at": "2022-09-04T14:38:03.135183Z",
"structure_string": "Zn3 Cd1 O4\n1.0\n3.331527 0.000000 0.000000\n-1.665764 2.885187 0.000000\n-0.000000 -0.000000 11.026302\nZn Cd O\n3 1 4\ndirect\n0.666668 0.333334 0.251213 Zn\n0.000000 0.000000 0.014571 Zn\n0.000000 0.000000 0.487641 Zn\n0.666668 0.333334 0.756386 Cd\n0.666668 0.333334 0.958459 O\n0.666668 0.333334 0.431294 O\n0.000000 0.000000 0.665631 O\n0.000000 0.000000 0.194805 O\n",
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{
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"created_at": "2022-09-04T14:37:52.642563Z",
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"structure_string": "Zn3 Cd1\n1.0\n-2.058585 2.058585 4.098909\n2.058585 -2.058585 4.098909\n2.058585 2.058585 -4.098909\nZn Cd\n3 1\ndirect\n0.749999 0.250000 0.499999 Zn\n0.250000 0.749999 0.499999 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Cd\n",
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{
"id": "jvasp-79111",
"created_at": "2022-09-04T14:36:45.066121Z",
"updated_at": "2022-09-04T14:36:45.066149Z",
"structure_string": "Zn3 C1\n1.0\n-1.837450 1.837450 3.801223\n1.837450 -1.837450 3.801223\n1.837450 1.837450 -3.801223\nZn C\n3 1\ndirect\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.499999 0.499999 0.000000 Zn\n0.000000 0.000000 0.000000 C\n",
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