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{
"id": "jvasp-4119",
"created_at": "2022-09-04T14:36:48.830480Z",
"updated_at": "2022-09-04T14:36:48.830504Z",
"structure_string": "Mg1 H2 O2\n1.0\n1.581190 -2.738702 0.000000\n1.581190 2.738702 0.000000\n0.000000 0.000000 4.685848\nMg H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.431302 H\n0.333333 0.666667 0.568699 H\n0.666667 0.333333 0.223476 O\n0.333333 0.666667 0.776524 O\n",
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{
"id": "jvasp-19074",
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"structure_string": "Li10 Re2 N8\n1.0\n4.869301 0.000000 0.000000\n0.000000 6.620497 0.000000\n0.000000 0.000000 6.707282\nLi Re N\n10 2 8\ndirect\n0.299753 0.000000 0.000000 Li\n0.245149 0.762440 0.698239 Li\n0.754851 0.262440 0.801760 Li\n0.754851 0.737560 0.198239 Li\n0.754851 0.737560 0.801760 Li\n0.245149 0.237560 0.301760 Li\n0.245149 0.237560 0.698239 Li\n0.245149 0.762440 0.301760 Li\n0.700247 0.500000 0.500000 Li\n0.754851 0.262440 0.198239 Li\n0.277030 0.500000 0.000000 Re\n0.722969 0.000000 0.500000 Re\n0.929994 0.768288 0.500000 N\n0.070006 0.731713 0.000000 N\n0.516966 0.000000 0.730423 N\n0.483034 0.500000 0.230423 N\n0.483034 0.500000 0.769577 N\n0.070006 0.268288 0.000000 N\n0.929994 0.231713 0.500000 N\n0.516966 0.000000 0.269577 N\n",
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{
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"created_at": "2022-09-04T14:37:04.841575Z",
"updated_at": "2022-09-04T14:37:04.841603Z",
"structure_string": "Li4 Mn4 O8\n1.0\n5.656905 0.089712 -0.303192\n0.089712 5.656905 -0.303192\n-2.879414 -2.879414 5.120217\nLi Mn O\n4 4 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.198564 0.801435 0.250000 Li\n0.801436 0.198565 0.750001 Li\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500001 Mn\n0.500000 -0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.260644 0.745260 0.976092 O\n0.248281 0.251718 0.478092 O\n0.254741 0.739357 0.523909 O\n0.251718 0.248281 0.978092 O\n0.748282 0.751719 0.021909 O\n0.745259 0.260643 0.476092 O\n0.751719 0.748282 0.521909 O\n0.739356 0.254740 0.023909 O\n",
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"volume": 154.08818595380174,
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"formula_full": "Li4 Mn4 O8",
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{
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"created_at": "2022-09-04T14:37:04.877207Z",
"updated_at": "2022-09-04T14:37:04.877238Z",
"structure_string": "Ga1 As2 W1\n1.0\n0.000000 3.254271 3.254271\n3.254271 -0.000000 3.254271\n3.254271 3.254271 -0.000000\nGa As W\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 As\n0.250000 0.250000 0.250000 As\n0.750000 0.750000 0.750000 W\n",
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{
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"created_at": "2022-09-04T14:37:04.944897Z",
"updated_at": "2022-09-04T14:37:04.944920Z",
"structure_string": "Ba2 Ga8 S14\n1.0\n5.967420 0.000000 0.000000\n0.000000 6.261993 0.000000\n0.000000 0.000000 14.812603\nBa Ga S\n2 8 14\ndirect\n0.450857 0.665977 0.500000 Ba\n0.950857 0.334022 0.000000 Ba\n0.340410 0.828134 0.880245 Ga\n0.840410 0.171866 0.619755 Ga\n0.840410 0.171866 0.380245 Ga\n0.340410 0.828134 0.119755 Ga\n0.356803 0.312210 0.751462 Ga\n0.856803 0.687790 0.748538 Ga\n0.856803 0.687790 0.251462 Ga\n0.356803 0.312210 0.248538 Ga\n0.958293 0.369252 0.500000 S\n0.458293 0.630748 0.000000 S\n0.949628 0.824159 0.612791 S\n0.449628 0.175841 0.887208 S\n0.956938 0.809032 0.114236 S\n0.456938 0.190968 0.385764 S\n0.461852 0.673259 0.744564 S\n0.956938 0.809032 0.885764 S\n0.961852 0.326741 0.244564 S\n0.461852 0.673259 0.255436 S\n0.449628 0.175841 0.112791 S\n0.961852 0.326741 0.755436 S\n0.456938 0.190968 0.614236 S\n0.949628 0.824159 0.387209 S\n",
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{
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"structure_string": "Na4 Ir2 O6\n1.0\n5.501519 -0.000626 -0.000098\n-2.740281 4.770483 0.000035\n-0.934253 -1.613788 5.253253\nNa Ir O\n4 2 6\ndirect\n0.500255 0.000143 0.500157 Na\n0.840995 0.659427 0.500158 Na\n0.159510 0.340917 0.500161 Na\n0.000234 0.500169 0.000153 Na\n0.667238 0.833166 0.000162 Ir\n0.333241 0.167181 0.000170 Ir\n0.564114 0.430289 0.792971 O\n0.436358 0.570054 0.207362 O\n0.706464 0.206402 0.208956 O\n0.930359 0.064044 0.792972 O\n0.070122 0.936293 0.207355 O\n0.294021 0.793952 0.791375 O\n",
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"structure_string": "Li1 Y1 S2\n1.0\n3.904795 0.000000 0.000000\n0.000000 3.904795 0.000000\n0.000000 0.000000 5.307984\nLi Y S\n1 1 2\ndirect\n0.499999 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.499999 0.499999 0.000000 S\n0.000000 0.000000 0.500000 S\n",
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{
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"structure_string": "Ca8 Sb4 S2\n1.0\n7.980778 0.128602 0.000000\n-2.539012 7.567217 0.000000\n-2.720883 -3.847910 6.442029\nCa Sb S\n8 4 2\ndirect\n-0.000351 0.869410 0.511450 Ca\n0.511802 0.000352 0.369762 Ca\n0.130590 0.142040 0.130239 Ca\n0.369410 0.499648 0.011450 Ca\n0.642041 0.630590 0.630239 Ca\n0.500352 0.011801 0.869762 Ca\n0.857961 0.488199 0.988550 Ca\n0.988199 0.357960 0.488550 Ca\n0.123454 0.750000 0.873454 Sb\n0.250000 0.623454 0.373453 Sb\n0.376547 0.250000 0.626547 Sb\n0.750000 0.876547 0.126547 Sb\n0.625000 0.375000 0.250000 S\n0.875001 0.125000 0.750000 S\n",
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{
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"structure_string": "Y2 Te1 O2\n1.0\n-1.967140 1.967140 6.209182\n1.967140 -1.967140 6.209182\n1.967140 1.967140 -6.209182\nY Te O\n2 1 2\ndirect\n0.337621 0.337621 0.000000 Y\n0.662379 0.662379 0.000000 Y\n0.000000 0.000000 0.000000 Te\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
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}