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"structure_string": "Zn2 Ni3 O5\n1.0\n3.972043 -0.000289 3.335427\n1.715731 3.582373 3.335427\n0.001841 0.001159 6.703649\nZn Ni O\n2 3 5\ndirect\n0.598955 0.598955 0.200708 Zn\n0.401044 0.401044 0.799294 Zn\n0.000000 0.000000 0.000000 Ni\n0.798510 0.798510 0.599249 Ni\n0.201489 0.201489 0.400753 Ni\n0.093961 0.093961 0.207117 O\n0.500000 0.499999 0.000001 O\n0.294102 0.294102 0.604728 O\n0.906038 0.906038 0.792885 O\n0.705897 0.705897 0.395274 O\n",
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{
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"updated_at": "2022-09-04T14:36:41.871077Z",
"structure_string": "Mn2 Cd2 O4\n1.0\n4.224255 -0.000000 1.889075\n-0.844789 4.138921 1.889075\n-0.000181 -0.000222 5.667978\nMn Cd O\n2 2 4\ndirect\n0.500000 0.500000 -0.000001 Mn\n0.000000 0.000000 0.000000 Mn\n0.250000 0.750000 0.499999 Cd\n0.750001 0.250000 0.499999 Cd\n0.500001 -0.000000 -0.000001 O\n-0.000000 0.500000 -0.000000 O\n0.250000 0.250000 0.500000 O\n0.750001 0.750000 0.499999 O\n",
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"spacegroup": 123
},
{
"id": "jvasp-10177",
"created_at": "2022-09-04T14:37:14.635875Z",
"updated_at": "2022-09-04T14:37:14.635905Z",
"structure_string": "Sb2 As2 O8\n1.0\n0.000000 4.763498 -0.054276\n7.078416 0.000000 0.000000\n0.000000 -0.540156 -5.339281\nSb As O\n2 2 8\ndirect\n0.186854 0.750000 0.668433 Sb\n0.813146 0.250000 0.331568 Sb\n0.706123 0.750000 0.111733 As\n0.293876 0.250000 0.888268 As\n0.816250 0.561516 0.291972 O\n0.183750 0.061516 0.708029 O\n0.183750 0.438485 0.708029 O\n0.816250 0.938485 0.291972 O\n0.799922 0.750000 0.804366 O\n0.200078 0.250000 0.195635 O\n0.342194 0.750000 0.046138 O\n0.657805 0.250000 0.953863 O\n",
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"elements": [
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"density": 4.803306497511023,
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"volume": 180.2375075062723,
"volume_molar": 9.045130336952736,
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"formula_anonymous": "ABC4",
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{
"id": "jvasp-101769",
"created_at": "2022-09-04T14:37:04.443077Z",
"updated_at": "2022-09-04T14:37:04.443101Z",
"structure_string": "K2 Mn1 F4\n1.0\n4.000953 0.006836 -6.052399\n-0.355969 3.985092 -6.052399\n-0.006242 -0.006836 7.255282\nK Mn F\n2 1 4\ndirect\n0.354276 0.354277 -0.000000 K\n0.645723 0.645724 -0.000000 K\n0.000000 0.000000 0.000000 Mn\n0.160047 0.160047 -0.000000 F\n0.839952 0.839954 -0.000001 F\n0.500000 -0.000000 0.500000 F\n0.000000 0.499999 0.499999 F\n",
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"volume": 115.36651512311968,
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"formula_full": "K2 Mn1 F4",
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{
"id": "jvasp-101768",
"created_at": "2022-09-04T14:37:04.023892Z",
"updated_at": "2022-09-04T14:37:04.023916Z",
"structure_string": "Ni2 F4\n1.0\n3.103031 -0.000000 0.000000\n0.000000 4.550726 0.000000\n0.000000 0.000000 4.707823\nNi F\n2 4\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n-0.000000 0.276707 0.330027 F\n0.500000 0.223293 0.830027 F\n-0.000000 0.723294 0.669972 F\n0.500000 0.776707 0.169972 F\n",
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{
"id": "jvasp-101766",
"created_at": "2022-09-04T14:37:02.699849Z",
"updated_at": "2022-09-04T14:37:02.699869Z",
"structure_string": "K1 Cr1 F6\n1.0\n4.766735 0.008654 -0.659734\n-0.758501 4.706008 -0.659734\n0.007357 0.008653 4.812167\nK Cr F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.499999 0.500001 Cr\n0.806868 0.422472 0.711963 F\n0.422473 0.711961 0.806870 F\n0.288038 0.193131 0.577528 F\n0.577527 0.288037 0.193132 F\n0.193131 0.577527 0.288039 F\n0.711962 0.806868 0.422474 F\n",
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"density": 3.1522647275750963,
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"volume": 108.03386887819205,
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"formula_full": "K1 Cr1 F6",
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{
"id": "jvasp-101764",
"created_at": "2022-09-04T14:37:02.236289Z",
"updated_at": "2022-09-04T14:37:02.236308Z",
"structure_string": "Fe4 O4\n1.0\n3.032430 0.056298 -0.028344\n-0.105922 4.970756 -1.707295\n0.051099 -0.047768 5.255883\nFe O\n4 4\ndirect\n0.500001 -0.000000 0.500001 Fe\n0.500001 0.500000 0.000001 Fe\n-0.000000 0.000000 -0.000001 Fe\n-0.000000 0.500000 0.499998 Fe\n0.000011 0.249995 0.750031 O\n0.500010 0.249995 0.250030 O\n-0.000009 0.750007 0.249967 O\n0.499990 0.750004 0.749970 O\n",
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"spacegroup": 225
},
{
"id": "jvasp-101763",
"created_at": "2022-09-04T14:36:40.603660Z",
"updated_at": "2022-09-04T14:36:40.603680Z",
"structure_string": "Ba2 Co1 W1 O6\n1.0\n5.012574 -0.000755 2.824980\n-3.359333 4.669346 0.102383\n0.060532 -0.084281 5.752203\nBa Co W O\n2 1 1 6\ndirect\n0.499999 0.750012 0.749986 Ba\n0.500000 0.249988 0.250013 Ba\n0.000000 0.000000 0.000000 Co\n0.000000 0.500001 0.499999 W\n-0.000001 0.259479 0.740513 O\n-0.000033 0.259425 0.259454 O\n0.481036 0.740509 0.259471 O\n0.518963 0.259491 0.740529 O\n0.000034 0.740576 0.740544 O\n0.000002 0.740522 0.259485 O\n",
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"volume": 134.66287970414473,
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"formula_full": "Ba2 Co1 W1 O6",
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{
"id": "jvasp-101762",
"created_at": "2022-09-04T14:36:40.266270Z",
"updated_at": "2022-09-04T14:36:40.266290Z",
"structure_string": "La2 Zn1 Fe1 O6\n1.0\n4.786104 -0.003797 2.609719\n1.547377 4.528529 2.610674\n-0.005179 -0.004877 5.451355\nLa Zn Fe O\n2 1 1 6\ndirect\n0.750882 0.750883 0.750885 La\n0.249118 0.249115 0.249117 La\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Fe\n0.304829 0.765437 0.173415 O\n0.765414 0.173411 0.304836 O\n0.173409 0.304839 0.765433 O\n0.695171 0.234563 0.826584 O\n0.826592 0.695160 0.234567 O\n0.234585 0.826588 0.695164 O\n",
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{
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"created_at": "2022-09-04T14:36:40.021950Z",
"updated_at": "2022-09-04T14:36:40.021976Z",
"structure_string": "Fe4 Se3 N2\n1.0\n4.875413 -0.023642 4.264936\n1.125014 3.091598 -0.000000\n0.078723 -0.028647 8.718593\nFe Se N\n4 3 2\ndirect\n0.390793 0.804603 0.635425 Fe\n0.609205 0.195397 0.364577 Fe\n0.552072 0.723964 0.151719 Fe\n0.447926 0.276036 0.848282 Fe\n0.000000 0.000000 0.000000 Se\n0.770124 0.614937 0.785820 Se\n0.229874 0.385063 0.214181 Se\n0.434543 0.782728 0.406863 N\n0.565455 0.217272 0.593138 N\n",
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{
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"created_at": "2022-09-04T14:36:37.081956Z",
"updated_at": "2022-09-04T14:36:37.081976Z",
"structure_string": "Sr2 Pt1 N2\n1.0\n3.698316 0.000424 -1.069364\n-0.308934 3.685391 -1.069364\n0.010777 0.011720 6.968333\nSr Pt N\n2 1 2\ndirect\n0.149250 0.649248 0.798498 Sr\n0.850753 0.350750 0.201503 Sr\n0.500001 -0.000001 0.500000 Pt\n0.650042 0.150040 0.800080 N\n0.349961 0.849959 0.199921 N\n",
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