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{
"id": "jvasp-59593",
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"updated_at": "2022-09-04T14:36:58.083280Z",
"structure_string": "Ni2 Rh4 O8\n1.0\n5.258120 0.000000 -2.962310\n-1.668901 4.986241 -2.962310\n-0.065663 -0.091222 6.031201\nNi Rh O\n2 4 8\ndirect\n0.125000 0.874999 0.250000 Ni\n0.875001 0.125001 0.750001 Ni\n0.500000 0.500001 -0.000000 Rh\n0.000000 0.500000 0.500001 Rh\n0.500000 0.500000 0.499999 Rh\n0.500000 -0.000000 -0.000000 Rh\n0.258952 0.740616 0.517906 O\n0.722710 0.741047 0.982096 O\n0.259387 0.741047 0.982096 O\n0.741049 0.259386 0.482097 O\n0.741047 0.722708 0.482095 O\n0.277291 0.258953 0.017906 O\n0.258954 0.277292 0.517906 O\n0.740614 0.258953 0.017906 O\n",
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{
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"structure_string": "Sr3 Sc2 Cu2 S2 O5\n1.0\n4.044359 0.000000 -0.626703\n-0.097113 4.043193 -0.626703\n-0.010843 -0.011106 13.293283\nSr Sc Cu S O\n3 2 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.644709 0.644707 0.289416 Sr\n0.355293 0.355291 0.710584 Sr\n0.923419 0.923417 0.846836 Sc\n0.076582 0.076582 0.153164 Sc\n0.250001 0.749999 0.500000 Cu\n0.750001 0.249999 0.500000 Cu\n0.802030 0.802028 0.604058 S\n0.197971 0.197970 0.395942 S\n0.000000 0.000000 0.000000 O\n0.413487 0.913484 0.826973 O\n0.913487 0.413485 0.826973 O\n0.086515 0.586514 0.173028 O\n0.586515 0.086514 0.173028 O\n",
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{
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"created_at": "2022-09-04T14:37:03.820355Z",
"updated_at": "2022-09-04T14:37:03.820376Z",
"structure_string": "Yb2 H6 O6\n1.0\n0.000000 6.146416 0.068068\n3.532194 0.000000 0.000000\n0.000000 -3.013294 -5.359028\nYb H O\n2 6 6\ndirect\n0.333367 0.749999 0.666728 Yb\n0.666635 0.250000 0.333272 Yb\n0.886675 0.749999 0.725866 H\n0.273894 0.749999 0.160702 H\n0.839440 0.749999 0.113285 H\n0.113326 0.250000 0.274134 H\n0.726108 0.250000 0.839298 H\n0.160561 0.250000 0.886715 H\n0.702785 0.749999 0.623618 O\n0.376248 0.749999 0.079135 O\n0.920945 0.749999 0.297135 O\n0.297217 0.250000 0.376382 O\n0.623753 0.250000 0.920865 O\n0.079057 0.250000 0.702865 O\n",
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{
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"created_at": "2022-09-04T14:36:49.869771Z",
"updated_at": "2022-09-04T14:36:49.869792Z",
"structure_string": "Nd5 Ag1 Se8\n1.0\n7.722022 0.053419 0.000000\n-2.523643 7.298199 -0.000000\n-2.599189 -3.675808 6.274164\nNd Ag Se\n5 1 8\ndirect\n0.113664 0.744534 0.871861 Nd\n0.255465 0.627326 0.369129 Nd\n0.372673 0.241803 0.628139 Nd\n0.625000 0.375000 0.250000 Nd\n0.758197 0.886336 0.130871 Nd\n0.875000 0.125000 0.750000 Ag\n0.989972 0.851642 0.500591 Se\n0.008037 0.361895 0.491585 Se\n0.483548 0.991963 0.853858 Se\n0.148358 0.148950 0.138330 Se\n0.370310 0.516452 0.008414 Se\n0.638105 0.629690 0.646142 Se\n0.510619 0.010028 0.361670 Se\n0.851050 0.489380 0.999408 Se\n",
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{
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"created_at": "2022-09-04T14:37:05.561635Z",
"updated_at": "2022-09-04T14:37:05.561653Z",
"structure_string": "V4 O10\n1.0\n11.734342 0.000000 0.000000\n0.000000 3.563802 0.000000\n0.000000 0.000000 4.292082\nV O\n4 10\ndirect\n0.147837 0.000000 0.889251 V\n0.352163 0.500000 0.110749 V\n0.647836 0.500000 0.110749 V\n0.852163 0.000000 0.889251 V\n0.000000 0.000000 0.992650 O\n0.146074 0.000000 0.514002 O\n0.181800 0.500000 0.995906 O\n0.318200 0.000000 0.004094 O\n0.353925 0.500000 0.485997 O\n0.500000 0.500000 0.007349 O\n0.646074 0.500000 0.485997 O\n0.681800 0.000000 0.004094 O\n0.818199 0.500000 0.995906 O\n0.853925 0.000000 0.514002 O\n",
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"formula_full": "V4 O10",
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{
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"created_at": "2022-09-04T14:36:58.893613Z",
"updated_at": "2022-09-04T14:36:58.893641Z",
"structure_string": "Li2 Cr2 P2 O8\n1.0\n2.768720 4.040787 0.000000\n-2.768720 4.040787 0.000000\n0.000000 -0.000000 6.408696\nLi Cr P O\n2 2 2 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.207950 0.207950 0.250000 Cr\n0.792051 0.792051 0.750000 Cr\n0.144603 0.144603 0.750000 P\n0.855397 0.855397 0.250000 P\n0.196866 0.740894 0.250000 O\n0.259107 0.803134 0.750000 O\n0.743704 0.743704 0.054623 O\n0.256297 0.256297 0.554624 O\n0.256297 0.256297 0.945377 O\n0.743704 0.743704 0.445377 O\n0.740894 0.196866 0.250000 O\n0.803134 0.259107 0.750000 O\n",
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"density_atomic": 0.09763001876250843,
"volume": 143.3985179707477,
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"formula_full": "Li2 Cr2 P2 O8",
"formula_reduced": "LiCrPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 63
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{
"id": "jvasp-47526",
"created_at": "2022-09-04T14:37:03.721229Z",
"updated_at": "2022-09-04T14:37:03.721248Z",
"structure_string": "Li2 Mn2 P2 O8\n1.0\n4.938260 -0.007685 0.001638\n-2.462153 4.899450 -0.024315\n-0.004103 -1.684531 6.371581\nLi Mn P O\n2 2 2 8\ndirect\n0.062594 0.001213 0.498648 Li\n0.031627 0.001347 -0.001438 Li\n0.355588 0.710903 0.273477 Mn\n0.646082 0.291888 0.723436 Mn\n0.316984 0.650596 0.769878 P\n0.667697 0.352154 0.227031 P\n0.748688 0.668983 0.327089 O\n0.305344 0.835275 0.623329 O\n0.211494 0.732745 0.983474 O\n0.647053 0.690539 0.792443 O\n0.957834 0.312253 0.204434 O\n0.480061 0.270024 0.013444 O\n0.471361 0.167471 0.373593 O\n0.081104 0.333769 0.669817 O\n",
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{
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"created_at": "2022-09-04T14:36:57.123588Z",
"updated_at": "2022-09-04T14:36:57.123614Z",
"structure_string": "Zn2 Cu4 O8\n1.0\n5.247204 0.000000 -2.754850\n-1.446331 5.043937 -2.754850\n-0.241686 -0.320728 5.914299\nZn Cu O\n2 4 8\ndirect\n0.374999 0.625000 0.750000 Zn\n0.624999 0.375000 0.250000 Zn\n-0.000000 -0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.499999 -0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.761001 0.782885 0.522005 O\n0.760877 0.238997 0.977994 O\n0.217114 0.238997 0.977994 O\n0.238997 0.217115 0.477994 O\n0.238997 0.760879 0.477994 O\n0.239121 0.761003 0.022006 O\n0.761001 0.239121 0.522005 O\n0.782884 0.761003 0.022006 O\n",
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{
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"created_at": "2022-09-04T14:36:58.054619Z",
"updated_at": "2022-09-04T14:36:58.054633Z",
"structure_string": "Bi2 Te4 Br8\n1.0\n7.208713 0.082879 0.034146\n-0.551777 7.610953 -0.147826\n-1.949771 -0.594004 9.077099\nBi Te Br\n2 4 8\ndirect\n0.285959 0.095663 0.615130 Bi\n0.714040 0.904337 0.384870 Bi\n0.890283 0.552075 0.802106 Te\n0.109717 0.447926 0.197894 Te\n0.762838 0.364973 0.006339 Te\n0.237161 0.635027 0.993661 Te\n0.554526 0.554564 0.319726 Br\n0.445474 0.445437 0.680274 Br\n0.788599 0.917977 0.110436 Br\n0.211400 0.082023 0.889564 Br\n0.639324 0.948061 0.701843 Br\n0.360675 0.051939 0.298157 Br\n0.068241 0.745874 0.531372 Br\n0.931759 0.254126 0.468628 Br\n",
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"structure_string": "Zn2 In4 S8\n1.0\n6.564241 0.000000 3.789866\n2.188080 6.188825 3.789866\n0.000000 0.000000 7.579732\nZn In S\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Zn\n0.875000 0.875001 0.875001 Zn\n0.500000 0.500000 0.000000 In\n0.500000 0.500000 0.500000 In\n-0.000000 0.500000 0.500000 In\n0.500000 -0.000000 0.500000 In\n0.745934 0.745935 0.745935 S\n0.254065 0.254066 0.737805 S\n0.254065 0.737806 0.254066 S\n0.737805 0.254066 0.254066 S\n0.745934 0.262195 0.745935 S\n0.262195 0.745935 0.745935 S\n0.254065 0.254066 0.254065 S\n0.745934 0.745935 0.262196 S\n",
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"structure_string": "Mn4 Al2 O8\n1.0\n5.176585 0.042849 2.918870\n1.724913 4.880936 2.918870\n0.060059 0.042849 5.942493\nMn Al O\n4 2 8\ndirect\n-0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.624993 0.624995 0.624994 Al\n0.375005 0.375007 0.375006 Al\n0.249943 0.750011 0.750009 O\n0.249990 0.249991 0.750056 O\n0.249989 0.750057 0.249990 O\n0.249983 0.249984 0.249983 O\n0.750008 0.750011 0.249944 O\n0.750056 0.249991 0.249990 O\n0.750009 0.249944 0.750010 O\n0.750015 0.750018 0.750017 O\n",
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{
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}