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{
"id": "jvasp-29800",
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{
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{
"id": "jvasp-106686",
"created_at": "2022-09-04T14:36:53.746456Z",
"updated_at": "2022-09-04T14:36:53.746486Z",
"structure_string": "Zn1 Hg1 Te2\n1.0\n4.508162 -0.000000 0.000000\n0.000000 4.508162 0.000000\n-0.000000 0.000000 6.449474\nZn Hg Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Hg\n-0.000000 0.500000 0.272200 Te\n0.500000 0.000000 0.727799 Te\n",
"nsites": 4,
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"elements": [
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"density": 6.602818311509002,
"density_atomic": 0.030516636676857792,
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"formula_full": "Zn1 Hg1 Te2",
"formula_reduced": "ZnHgTe2",
"formula_anonymous": "ABC2",
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"spacegroup": 115
},
{
"id": "jvasp-99576",
"created_at": "2022-09-04T14:36:22.677873Z",
"updated_at": "2022-09-04T14:36:22.677890Z",
"structure_string": "Zn1 Hg1 Te2\n1.0\n4.334838 0.009407 6.545737\n1.977903 3.857306 6.545737\n0.015357 0.009407 7.850941\nZn Hg Te\n1 1 2\ndirect\n0.498969 0.498970 0.498969 Zn\n0.002154 0.002154 0.002154 Hg\n0.129917 0.129918 0.129917 Te\n0.618960 0.618962 0.618960 Te\n",
"nsites": 4,
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"density": 6.627089897326187,
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"volume": 130.59598019366578,
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"formula_full": "Zn1 Hg1 Te2",
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},
{
"id": "jvasp-110952",
"created_at": "2022-09-04T14:38:37.111898Z",
"updated_at": "2022-09-04T14:38:37.111917Z",
"structure_string": "Zn1 Hg1 Se2\n1.0\n4.059582 0.012701 6.175220\n1.857455 3.609740 6.175220\n0.020746 0.012701 7.390069\nZn Hg Se\n1 1 2\ndirect\n0.498937 0.498935 0.498935 Zn\n0.003196 0.003196 0.003196 Hg\n0.130996 0.130996 0.130996 Se\n0.616873 0.616872 0.616871 Se\n",
"nsites": 4,
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{
"id": "jvasp-110951",
"created_at": "2022-09-04T14:38:37.386130Z",
"updated_at": "2022-09-04T14:38:37.386148Z",
"structure_string": "Zn1 Hg1 S2\n1.0\n3.863093 0.012124 5.919894\n1.769721 3.433908 5.919894\n0.019817 0.012124 7.068822\nZn Hg S\n1 1 2\ndirect\n0.499220 0.499219 0.499220 Zn\n0.003835 0.003835 0.003835 Hg\n0.131229 0.131229 0.131229 S\n0.615716 0.615715 0.615715 S\n",
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"formula_full": "Zn1 Hg1 S2",
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{
"id": "jvasp-79359",
"created_at": "2022-09-04T14:36:50.759210Z",
"updated_at": "2022-09-04T14:36:50.759236Z",
"structure_string": "Zn1 Hg3\n1.0\n4.598264 0.000000 0.000000\n-0.000000 4.598263 -0.000000\n-0.000000 -0.000000 4.598264\nZn Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.499998 0.499998 Hg\n0.499998 0.999998 0.499998 Hg\n0.499998 0.499999 -0.000000 Hg\n",
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"volume": 97.22581915974123,
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},
{
"id": "jvasp-78986",
"created_at": "2022-09-04T14:37:11.917010Z",
"updated_at": "2022-09-04T14:37:11.917029Z",
"structure_string": "Zn1 Hg3\n1.0\n0.000000 3.679783 3.679783\n3.679783 0.000000 3.679783\n3.679783 3.679783 0.000000\nZn Hg\n1 3\ndirect\n0.749999 0.749999 0.749999 Zn\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n0.250000 0.250000 0.250000 Hg\n",
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"spacegroup": 225
},
{
"id": "jvasp-39555",
"created_at": "2022-09-04T14:37:51.182899Z",
"updated_at": "2022-09-04T14:37:51.182920Z",
"structure_string": "Zn1 Hg3\n1.0\n-2.136321 2.136321 5.402962\n2.136321 -2.136321 5.402962\n2.136321 2.136321 -5.402962\nZn Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250001 0.500000 Hg\n0.250001 0.750000 0.500000 Hg\n0.499999 0.499999 0.000000 Hg\n",
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},
{
"id": "jvasp-118069",
"created_at": "2022-09-04T14:38:54.167036Z",
"updated_at": "2022-09-04T14:38:54.167065Z",
"structure_string": "Zn2 H2 Cl2\n1.0\n3.253048 0.000000 -0.000000\n0.000000 3.253048 0.000000\n-0.000000 -0.000000 7.824261\nZn H Cl\n2 2 2\ndirect\n0.000000 0.500000 0.852596 Zn\n0.500000 0.000000 0.147404 Zn\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.500000 0.000000 0.681466 Cl\n0.000000 0.500000 0.318535 Cl\n",
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"formula_full": "Zn2 H2 Cl2",
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"spacegroup": 129
},
{
"id": "jvasp-118070",
"created_at": "2022-09-04T14:38:52.556014Z",
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"structure_string": "Zn2 H2 Cl2\n1.0\n3.604224 -0.000000 -0.000000\n-1.802112 3.121349 0.000000\n0.000000 0.000000 10.289467\nZn H Cl\n2 2 2\ndirect\n0.333332 0.666667 0.725689 Zn\n0.666665 0.333333 0.274312 Zn\n0.333332 0.666667 0.577415 H\n0.666665 0.333333 0.422586 H\n0.333332 0.666667 0.147709 Cl\n0.666665 0.333333 0.852292 Cl\n",
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{
"id": "jvasp-118067",
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"structure_string": "Zn1 H1 Cl1\n1.0\n4.234911 -0.000000 -0.000000\n-2.117456 3.667541 0.000000\n0.000000 -0.000000 3.579814\nZn H Cl\n1 1 1\ndirect\n0.666667 0.333334 0.000000 Zn\n0.333334 0.666667 0.000000 H\n0.000000 0.000000 0.000000 Cl\n",
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