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{
"id": "jvasp-11483",
"created_at": "2022-09-04T14:38:08.981787Z",
"updated_at": "2022-09-04T14:38:08.981810Z",
"structure_string": "Mn2 Fe4 O8\n1.0\n5.064139 0.000000 2.923782\n1.688046 4.774516 2.923782\n0.000000 0.000000 5.847564\nMn Fe O\n2 4 8\ndirect\n0.125001 0.125000 0.124999 Mn\n0.875001 0.875001 0.874998 Mn\n0.499999 0.500001 0.499999 Fe\n0.499999 0.500001 -0.000001 Fe\n0.000000 0.500001 0.499998 Fe\n0.500000 -0.000000 0.499999 Fe\n0.748987 0.748988 0.748986 O\n0.251011 0.251012 0.746963 O\n0.251014 0.746964 0.251011 O\n0.746964 0.251012 0.251010 O\n0.748988 0.253037 0.748986 O\n0.253037 0.748988 0.748986 O\n0.251011 0.251012 0.251012 O\n0.748987 0.748988 0.253035 O\n",
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"structure_string": "Ca4 Cr4 O8\n1.0\n3.068118 0.017062 0.002914\n1.485812 8.519099 -0.020270\n1.523193 0.485039 8.605286\nCa Cr O\n4 4 8\ndirect\n0.380061 0.302839 0.937052 Ca\n0.595889 0.725368 0.083037 Ca\n0.791744 0.097480 0.319102 Ca\n0.184199 0.930726 0.700981 Ca\n0.817101 0.603167 0.762751 Cr\n0.567940 0.250820 0.613420 Cr\n0.408004 0.777383 0.406666 Cr\n0.158850 0.425032 0.257330 Cr\n0.567753 0.558084 0.306540 O\n0.824398 0.786604 0.564698 O\n0.151545 0.241598 0.455389 O\n0.408202 0.470121 0.713537 O\n0.195957 0.729182 0.879086 O\n0.022866 0.184820 0.769402 O\n0.780000 0.299011 0.140999 O\n0.953090 0.843381 0.250677 O\n",
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{
"id": "jvasp-37179",
"created_at": "2022-09-04T14:38:08.974023Z",
"updated_at": "2022-09-04T14:38:08.974051Z",
"structure_string": "Mn1 Si1 Ni2\n1.0\n2.849932 2.849932 0.000000\n2.849932 -0.000000 -2.849932\n0.000000 2.849932 -2.849932\nMn Si Ni\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n",
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{
"id": "jvasp-18243",
"created_at": "2022-09-04T14:38:08.969589Z",
"updated_at": "2022-09-04T14:38:08.969604Z",
"structure_string": "Ti2 Si2\n1.0\n-3.642767 0.000000 0.000000\n-1.821383 -3.830066 -2.120275\n-1.821383 -3.830066 2.120275\nTi Si\n2 2\ndirect\n0.499999 0.449262 0.550739 Ti\n-0.000001 0.949274 0.050727 Ti\n0.750000 0.699232 0.800767 Si\n0.249998 0.199234 0.300769 Si\n",
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"volume": 59.16431487923522,
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{
"id": "jvasp-9673",
"created_at": "2022-09-04T14:38:08.967393Z",
"updated_at": "2022-09-04T14:38:08.967428Z",
"structure_string": "Zn2 Sb4 O8\n1.0\n5.900729 -0.000000 -3.097959\n-1.626468 5.672145 -3.097959\n-0.272800 -0.362020 6.648978\nZn Sb O\n2 4 8\ndirect\n0.375000 0.625001 0.750000 Zn\n0.625000 0.375000 0.250000 Zn\n0.000000 0.000000 0.500000 Sb\n-0.000000 0.500000 0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.750353 0.751083 0.500707 O\n0.750377 0.249648 0.999294 O\n0.248917 0.249648 0.999294 O\n0.249647 0.248918 0.499294 O\n0.249647 0.750378 0.499294 O\n0.249623 0.750353 0.000706 O\n0.750353 0.249623 0.500706 O\n0.751083 0.750353 0.000706 O\n",
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"volume": 209.30431379470514,
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"formula_full": "Zn2 Sb4 O8",
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{
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"created_at": "2022-09-04T14:38:08.963815Z",
"updated_at": "2022-09-04T14:38:08.963829Z",
"structure_string": "Li2 Ca2 Pr2 Te2 O12\n1.0\n0.000000 5.529126 0.005841\n5.728677 0.000000 0.000000\n0.000000 -5.446725 -7.837636\nLi Ca Pr Te O\n2 2 2 2 12\ndirect\n0.500260 0.264049 0.001530 Li\n0.500260 0.735952 0.501531 Li\n0.263462 0.694887 0.750452 Ca\n0.263462 0.305113 0.250452 Ca\n0.734139 0.192072 0.748039 Pr\n0.734139 0.807928 0.248039 Pr\n0.999382 0.743671 0.999236 Te\n0.999382 0.256329 0.499235 Te\n0.669040 0.064827 0.454239 O\n0.330148 0.555434 0.044923 O\n0.763469 0.535858 0.450694 O\n0.149099 0.284410 0.739547 O\n0.854505 0.224320 0.260097 O\n0.763469 0.464142 0.950694 O\n0.669040 0.935174 0.954239 O\n0.330147 0.444567 0.544923 O\n0.236499 0.027832 0.051247 O\n0.149100 0.715591 0.239547 O\n0.236499 0.972169 0.551247 O\n0.854505 0.775680 0.760097 O\n",
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"elements": [
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"density": 5.509298423793157,
"density_atomic": 0.08062190102934466,
"volume": 248.0715505916987,
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"formula_full": "Li2 Ca2 Pr2 Te2 O12",
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"formula_anonymous": "ABCDE6",
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"spacegroup": 7
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{
"id": "jvasp-53509",
"created_at": "2022-09-04T14:38:08.963401Z",
"updated_at": "2022-09-04T14:38:08.963415Z",
"structure_string": "Yb2 Ho4 S8\n1.0\n6.762947 -0.000044 -2.400793\n-3.376937 5.864644 -2.387855\n-0.009174 -0.000044 7.176432\nYb Ho S\n2 4 8\ndirect\n0.124999 0.750001 0.875000 Yb\n0.375001 0.250001 0.624999 Yb\n0.250003 0.628132 0.378129 Ho\n0.749996 0.871870 0.121872 Ho\n0.621871 0.371870 0.249996 Ho\n0.878130 0.128133 0.750004 Ho\n0.995040 0.855584 0.494752 S\n0.139459 0.144418 0.139168 S\n0.505248 0.000281 0.360826 S\n0.360545 0.499716 0.004970 S\n0.639168 0.644418 0.639460 S\n0.504970 -0.000283 0.860545 S\n0.860826 0.500281 0.005248 S\n0.994751 0.355584 0.495040 S\n",
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"density": 7.367721082694978,
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"volume": 284.5023279944508,
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"formula_full": "Yb2 Ho4 S8",
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"formula_anonymous": "AB2C4",
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{
"id": "jvasp-9388",
"created_at": "2022-09-04T14:38:08.962600Z",
"updated_at": "2022-09-04T14:38:08.962623Z",
"structure_string": "Nd2 Ta2 O8\n1.0\n0.000000 5.275225 -0.002576\n5.625124 0.000000 0.000000\n0.000000 -0.646723 -5.429802\nNd Ta O\n2 2 8\ndirect\n0.000000 0.764033 0.250000 Nd\n0.000000 0.235967 0.750000 Nd\n0.500001 0.688012 0.750000 Ta\n0.500001 0.311987 0.250000 Ta\n0.274337 0.561374 0.990556 O\n0.725665 0.561374 0.509444 O\n0.725664 0.438626 0.009444 O\n0.274337 0.438626 0.490556 O\n0.743612 0.091344 0.390125 O\n0.256390 0.091344 0.109876 O\n0.256390 0.908655 0.609876 O\n0.743612 0.908655 0.890125 O\n",
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"volume": 161.13220131973475,
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{
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"created_at": "2022-09-04T14:38:08.961775Z",
"updated_at": "2022-09-04T14:38:08.961798Z",
"structure_string": "Sr4 Mn2 S2 O6\n1.0\n3.953105 0.000000 0.000000\n0.000000 3.953105 0.000000\n0.000000 0.000000 13.539180\nSr Mn S O\n4 2 2 6\ndirect\n0.500001 0.000000 0.138175 Sr\n0.000000 0.500001 0.861825 Sr\n0.500001 0.000000 0.400362 Sr\n0.000000 0.500001 0.599638 Sr\n0.000000 0.500001 0.276707 Mn\n0.500001 0.000000 0.723293 Mn\n0.000000 0.500001 0.092652 S\n0.500001 0.000000 0.907348 S\n0.500001 0.500001 0.272593 O\n0.000000 0.000000 0.272593 O\n0.000000 0.000000 0.727407 O\n0.500001 0.500001 0.727407 O\n0.000000 0.500001 0.416378 O\n0.500001 0.000000 0.583622 O\n",
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"created_at": "2022-09-04T14:38:08.956878Z",
"updated_at": "2022-09-04T14:38:08.956908Z",
"structure_string": "La1 Mn1 Fe1 Si2\n1.0\n3.776199 -0.026825 -4.503857\n-0.520038 3.740315 -4.503857\n0.023521 0.026825 5.877402\nLa Mn Fe Si\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.750001 0.499999 Mn\n0.750000 0.250001 0.500000 Fe\n0.636054 0.636056 0.000001 Si\n0.363946 0.363947 0.000000 Si\n",
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"volume": 83.84958407090255,
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{
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"created_at": "2022-09-04T14:38:08.956158Z",
"updated_at": "2022-09-04T14:38:08.956181Z",
"structure_string": "Ba1 La1 Co2 O6\n1.0\n3.898072 -0.000000 0.000000\n0.000000 3.898072 0.000000\n0.000000 0.000000 7.697116\nBa La Co O\n1 1 2 6\ndirect\n0.000000 0.000000 0.500001 Ba\n0.000000 0.000000 0.000000 La\n0.499999 0.499999 0.749349 Co\n0.499999 0.499999 0.250651 Co\n0.499999 0.499999 0.500001 O\n0.499999 0.000000 0.770309 O\n-0.000000 0.499999 0.770309 O\n0.499999 0.000000 0.229692 O\n0.499999 0.499999 -0.000000 O\n-0.000000 0.499999 0.229692 O\n",
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"formula_full": "Ba1 La1 Co2 O6",
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}