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{
"id": "oqmd-31122",
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{
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"elements": [
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"spacegroup": 74
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{
"id": "oqmd-298291",
"created_at": "2022-09-04T14:49:42.739925Z",
"updated_at": "2022-09-04T14:49:42.739940Z",
"structure_string": "Yb1 Zn3\n1.0\n-2.245239 2.245239 3.479146\n2.245239 -2.245239 3.479146\n2.245239 2.245239 -3.479146\nYb Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500001 0.500001 0.000000 Zn\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n",
"nsites": 4,
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"density": 8.740409805300896,
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"volume": 70.15486609498545,
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"formula_full": "Yb1 Zn3",
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"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "oqmd-760717",
"created_at": "2022-09-04T15:24:49.954222Z",
"updated_at": "2022-09-04T15:24:49.954250Z",
"structure_string": "Yb4 Zn8\n1.0\n4.941383 0.000000 0.000000\n0.000000 10.056615 0.000000\n0.000000 0.000000 4.806496\nYb Zn\n4 8\ndirect\n0.030876 0.002212 0.000000 Yb\n0.030876 0.664454 0.000000 Yb\n0.802447 0.164454 0.500000 Yb\n0.802447 0.502212 0.500000 Yb\n0.475035 0.199590 0.000000 Zn\n0.988194 0.333333 0.000000 Zn\n0.475035 0.467076 0.000000 Zn\n0.540768 0.833333 0.000000 Zn\n0.292560 0.333333 0.500000 Zn\n0.358290 0.699589 0.500000 Zn\n0.845130 0.833333 0.500000 Zn\n0.358290 0.967076 0.500000 Zn\n",
"nsites": 12,
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"elements": [
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"density": 8.449885761408053,
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"volume": 238.85202425026097,
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"formula_full": "Yb4 Zn8",
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"formula_anonymous": "AB2",
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{
"id": "oqmd-760721",
"created_at": "2022-09-04T15:27:49.663051Z",
"updated_at": "2022-09-04T15:27:49.663073Z",
"structure_string": "Yb8 Zn8\n1.0\n9.664773 0.000000 0.000000\n0.000000 7.517161 0.000000\n0.000000 0.000000 5.229130\nYb Zn\n8 8\ndirect\n0.685914 0.269036 0.000000 Yb\n0.006873 0.500001 0.000000 Yb\n0.363055 0.500001 0.000000 Yb\n0.685914 0.730963 0.000000 Yb\n0.303612 0.000000 0.499997 Yb\n0.659793 0.000000 0.499997 Yb\n0.980751 0.230965 0.499997 Yb\n0.980751 0.769035 0.499997 Yb\n0.448002 0.000000 0.000000 Zn\n0.923971 0.000000 0.000000 Zn\n0.176023 0.168396 0.000000 Zn\n0.176023 0.831603 0.000000 Zn\n0.490644 0.331604 0.499997 Zn\n0.218665 0.500001 0.499997 Zn\n0.742695 0.500001 0.499997 Zn\n0.490644 0.668397 0.499997 Zn\n",
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"elements": [
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"density": 8.33795680814445,
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"volume": 379.9049469816767,
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"formula_full": "Yb8 Zn8",
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"spacegroup": 59
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{
"id": "oqmd-324196",
"created_at": "2022-09-04T14:51:08.160676Z",
"updated_at": "2022-09-04T14:51:08.160701Z",
"structure_string": "Yb2 Zn6\n1.0\n6.087490 0.000000 0.000000\n-3.043745 5.271920 0.000000\n0.000000 0.000000 4.532100\nYb Zn\n2 6\ndirect\n0.666668 0.333334 0.250001 Yb\n0.333334 0.666668 0.750001 Yb\n0.152422 0.304843 0.250001 Zn\n0.152422 0.847579 0.250001 Zn\n0.695156 0.847579 0.250001 Zn\n0.304842 0.152423 0.750001 Zn\n0.847580 0.152423 0.750001 Zn\n0.847578 0.695159 0.750001 Zn\n",
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"density": 8.431659020512047,
"density_atomic": 0.05500262680325574,
"volume": 145.44759886861368,
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"formula_full": "Yb2 Zn6",
"formula_reduced": "YbZn3",
"formula_anonymous": "AB3",
"formation_energy": -0.2360269225,
"spacegroup": 194
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{
"id": "oqmd-760719",
"created_at": "2022-09-04T15:22:45.013252Z",
"updated_at": "2022-09-04T15:22:45.013284Z",
"structure_string": "Yb6 Zn8\n1.0\n5.544009 6.401893 0.000000\n-2.770983 8.001482 0.000000\n0.000000 0.000000 5.072504\nYb Zn\n6 8\ndirect\n0.765635 0.403127 0.000000 Yb\n0.260102 0.545447 0.000000 Yb\n0.402624 0.908605 0.000000 Yb\n0.549877 0.329368 0.500000 Yb\n0.692056 0.692651 0.500000 Yb\n0.186809 0.835014 0.500000 Yb\n0.605303 0.122146 0.000000 Zn\n0.142765 0.285646 0.000000 Zn\n0.843864 0.748439 0.000000 Zn\n0.979268 0.987083 0.000000 Zn\n0.347176 0.116063 0.500000 Zn\n0.973133 0.251156 0.500000 Zn\n0.108077 0.489837 0.500000 Zn\n0.809875 0.951986 0.500000 Zn\n",
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"elements": [
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"formula_full": "Yb6 Zn8",
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"formula_anonymous": "A3B4",
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"spacegroup": 176
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{
"id": "oqmd-1453215",
"created_at": "2022-09-04T15:51:00.648839Z",
"updated_at": "2022-09-04T15:51:00.648854Z",
"structure_string": "Yb1 Zn5\n1.0\n5.291733 0.000000 0.000000\n-2.645866 4.582775 0.000000\n0.000000 0.000000 4.215487\nYb Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 Yb\n0.666667 0.333333 0.000000 Zn\n0.333333 0.666667 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n",
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{
"id": "oqmd-1454216",
"created_at": "2022-09-04T15:51:23.965850Z",
"updated_at": "2022-09-04T15:51:23.965873Z",
"structure_string": "Yb1 Zn12\n1.0\n-4.436441 4.436441 2.566260\n4.436441 -4.436441 2.566260\n4.436441 4.436441 -2.566260\nYb Zn\n1 12\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.715032 0.500000 0.215032 Zn\n0.500000 0.715032 0.215032 Zn\n0.000000 0.352687 0.352687 Zn\n0.352687 0.000000 0.352687 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.647313 0.647313 Zn\n0.647313 0.000000 0.647313 Zn\n0.500000 0.284968 0.784968 Zn\n0.284968 0.500000 0.784968 Zn\n",
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{
"id": "oqmd-760747",
"created_at": "2022-09-04T15:22:06.092254Z",
"updated_at": "2022-09-04T15:22:06.092283Z",
"structure_string": "Yb2 Zn6\n1.0\n4.721255 0.000000 0.000000\n0.000000 6.432254 0.000000\n0.000000 0.000000 4.654034\nYb Zn\n2 6\ndirect\n0.964066 0.000000 0.000000 Yb\n0.369268 0.500000 0.499999 Yb\n0.468024 0.250702 0.000000 Zn\n0.939742 0.500000 0.000000 Zn\n0.468024 0.749299 0.000000 Zn\n0.393592 0.000000 0.499999 Zn\n0.865310 0.249298 0.499999 Zn\n0.865310 0.750701 0.499999 Zn\n",
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"volume": 141.3351535863018,
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"formula_full": "Yb2 Zn6",
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{
"id": "oqmd-760720",
"created_at": "2022-09-04T15:24:50.373756Z",
"updated_at": "2022-09-04T15:24:50.373769Z",
"structure_string": "Yb6 Zn6\n1.0\n6.204206 0.000070 0.000000\n0.000125 9.600432 0.000000\n0.000000 0.000000 4.809238\nYb Zn\n6 6\ndirect\n0.481766 0.198297 0.000000 Yb\n0.981750 0.635041 0.000000 Yb\n0.868043 0.078919 0.500000 Yb\n0.204231 0.370994 0.500000 Yb\n0.704227 0.462338 0.500000 Yb\n0.368001 0.754410 0.500000 Yb\n0.937042 0.301734 0.000000 Zn\n0.437033 0.531603 0.000000 Zn\n0.657586 0.882513 0.000000 Zn\n0.157632 0.950821 0.000000 Zn\n0.351340 0.052266 0.500000 Zn\n0.851287 0.781066 0.500000 Zn\n",
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{
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"created_at": "2022-09-04T15:39:22.365216Z",
"updated_at": "2022-09-04T15:39:22.365244Z",
"structure_string": "Yb1 Zn1\n1.0\n0.000000 3.325647 3.325647\n3.325647 0.000000 3.325647\n3.325647 3.325647 0.000000\nYb Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.249999 0.249999 0.249999 Zn\n",
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}