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{
"id": "mp-1185499",
"created_at": "2022-09-04T14:42:28.423366Z",
"structure_string": "Lu1 Ag3\n1.0\n0.000000 3.434541 3.434541\n3.434541 0.000000 3.434541\n3.434541 3.434541 0.000000\nLu Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Lu\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.500000 0.500000 0.500000 Ag\n",
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{
"id": "mp-1174074",
"created_at": "2022-09-04T14:42:28.433574Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n1.459984 7.676093 0.000000\n-1.459984 7.676093 0.000000\n0.000000 2.212670 7.947014\nLi Mn Co O\n6 2 2 10\ndirect\n0.806007 0.806007 0.099356 Li\n0.000000 0.000000 0.500000 Li\n0.193993 0.193993 0.900644 Li\n0.400330 0.400330 0.287578 Li\n0.599670 0.599670 0.712422 Li\n0.000000 0.000000 0.000000 Li\n0.402079 0.402079 0.808340 Mn\n0.597921 0.597921 0.191660 Mn\n0.801564 0.801564 0.596857 Co\n0.198436 0.198436 0.403143 Co\n0.988173 0.988173 0.754165 O\n0.188189 0.188189 0.162367 O\n0.394022 0.394022 0.563902 O\n0.602697 0.602697 0.968238 O\n0.795176 0.795176 0.357781 O\n0.605978 0.605978 0.436098 O\n0.811811 0.811811 0.837633 O\n0.011827 0.011827 0.245835 O\n0.204824 0.204824 0.642219 O\n0.397303 0.397303 0.031762 O\n",
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"chemical_system": "Co-Li-Mn-O",
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"volume": 178.12394206140868,
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"formula_full": "Li6 Mn2 Co2 O10",
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"formula_anonymous": "ABC3D5",
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"updated_at": "2021-11-28T01:35:50.626000Z",
"spacegroup": 12
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{
"id": "mp-1228959",
"created_at": "2022-09-04T14:42:28.437247Z",
"structure_string": "Cs1 Pr2 Ti2 Nb1 O10\n1.0\n3.884905 -0.005041 -0.014322\n-0.005041 3.884905 0.014322\n-0.056913 0.056913 15.734661\nCs Pr Ti Nb O\n1 2 2 1 10\ndirect\n0.499900 0.500100 0.513038 Cs\n0.510386 0.489614 0.845591 Pr\n0.508347 0.491653 0.127678 Pr\n0.990930 0.009070 0.998627 Ti\n0.000269 0.999731 0.716180 Ti\n0.999204 0.000796 0.278924 Nb\n0.981894 0.018106 0.879270 O\n0.977304 0.022696 0.127252 O\n0.498695 0.998435 0.751648 O\n0.001565 0.501305 0.751648 O\n0.493996 0.009157 0.246131 O\n0.990843 0.506004 0.246131 O\n0.998134 0.001866 0.607987 O\n0.003184 0.996816 0.392660 O\n0.477582 0.038234 0.008618 O\n0.961766 0.522418 0.008618 O\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Cs-Nb-O-Pr-Ti",
"density": 5.337892567145698,
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"volume": 237.46843951326517,
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"formula_full": "Cs1 Pr2 Ti2 Nb1 O10",
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"formula_anonymous": "ABC2D2E10",
"energy": -140.31072895,
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"updated_at": "2021-11-28T01:35:53.032000Z",
"spacegroup": 8
},
{
"id": "mp-1247164",
"created_at": "2022-09-04T14:42:28.438066Z",
"structure_string": "Mg2 Ti1 In3 S8\n1.0\n6.623373 -0.000092 3.825095\n2.209823 6.184377 3.821850\n0.001025 -0.003120 7.648404\nMg Ti In S\n2 1 3 8\ndirect\n0.874242 0.876493 0.874628 Mg\n0.125652 0.123933 0.125359 Mg\n0.500347 0.999689 0.500193 Ti\n0.500106 0.499643 0.500046 In\n0.499611 0.500032 0.000050 In\n0.000011 0.500121 0.499956 In\n0.733629 0.758392 0.733720 S\n0.266360 0.241720 0.725681 S\n0.257850 0.726661 0.257601 S\n0.725810 0.241684 0.265922 S\n0.742012 0.273813 0.742273 S\n0.274141 0.758451 0.733699 S\n0.266557 0.241189 0.266611 S\n0.733678 0.758175 0.274262 S\n",
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"density": 3.696369215420735,
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"volume": 313.31952114188687,
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"formula_full": "Mg2 Ti1 In3 S8",
"formula_reduced": "Mg2TiIn3S8",
"formula_anonymous": "AB2C3D8",
"energy": -69.2048432,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:47.821000Z",
"spacegroup": 166
},
{
"id": "mp-15186",
"created_at": "2022-09-04T14:42:28.459042Z",
"structure_string": "Er2 Cu4 O8\n1.0\n-2.828249 2.828249 4.799633\n2.828249 -2.828249 4.799633\n2.828249 2.828249 -4.799633\nEr Cu O\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Er\n0.250000 0.750000 0.500000 Er\n0.375000 0.125000 0.250000 Cu\n0.875000 0.125000 0.750000 Cu\n0.875000 0.625000 0.750000 Cu\n0.875000 0.125000 0.250000 Cu\n0.903800 0.347595 0.145962 O\n0.201632 0.757837 0.854038 O\n0.846200 0.902405 0.354038 O\n0.548368 0.492163 0.645962 O\n0.507837 0.153800 0.056205 O\n0.097595 0.451632 0.943795 O\n0.652405 0.798368 0.556205 O\n0.242163 0.096200 0.443795 O\n",
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"elements": [
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"density": 7.7496394716032775,
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"volume": 153.5689116743672,
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"formula_full": "Er2 Cu4 O8",
"formula_reduced": "Er(CuO2)2",
"formula_anonymous": "AB2C4",
"energy": -94.40440283,
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"spacegroup": 88
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{
"id": "mp-1175696",
"created_at": "2022-09-04T14:42:28.438378Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.890506 5.178853 0.000000\n-2.890506 5.178853 0.000000\n0.000000 1.478516 9.600178\nLi Mn Co O\n9 2 5 16\ndirect\n0.501161 0.253756 0.757403 Li\n0.000686 0.751992 0.753035 Li\n0.127926 0.387621 0.993966 Li\n0.612379 0.872074 0.006034 Li\n0.746244 0.498839 0.242597 Li\n0.248008 0.999314 0.246965 Li\n0.379338 0.620662 0.500000 Li\n0.877676 0.122324 0.500000 Li\n0.621805 0.378195 0.000000 Li\n0.004395 0.249450 0.753589 Mn\n0.750550 0.995605 0.246411 Mn\n0.501150 0.742623 0.758650 Co\n0.121177 0.878823 0.000000 Co\n0.257377 0.498850 0.241350 Co\n0.876618 0.619024 0.499959 Co\n0.380976 0.123382 0.500041 Co\n0.706360 0.430515 0.632462 O\n0.200375 0.948935 0.633033 O\n0.304456 0.599073 0.879407 O\n0.846308 0.074623 0.869772 O\n0.920862 0.697040 0.134740 O\n0.441979 0.188155 0.138948 O\n0.576123 0.823904 0.370506 O\n0.073699 0.315383 0.387099 O\n0.302960 0.079138 0.865260 O\n0.811845 0.558021 0.861052 O\n0.925377 0.153692 0.130228 O\n0.400927 0.695544 0.120593 O\n0.569485 0.293640 0.367538 O\n0.051065 0.799625 0.366967 O\n0.176096 0.423877 0.629494 O\n0.684617 0.926301 0.612901 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
"id": "mp-1246541",
"created_at": "2022-09-04T14:42:28.446449Z",
"structure_string": "Zn2 Pb4 N4\n1.0\n-0.000000 -3.646731 0.000000\n-6.607816 0.000000 0.000000\n0.000000 0.000000 -11.482204\nZn Pb N\n2 4 4\ndirect\n0.750000 0.381910 0.750000 Zn\n0.250000 0.618090 0.250000 Zn\n0.750000 0.731310 0.986405 Pb\n0.750000 0.731310 0.513595 Pb\n0.250000 0.268690 0.013595 Pb\n0.250000 0.268690 0.486405 Pb\n0.750000 0.397161 0.590644 N\n0.750000 0.397161 0.909356 N\n0.250000 0.602839 0.409356 N\n0.250000 0.602839 0.090644 N\n",
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"volume": 276.68583674831274,
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"formula_full": "Zn2 Pb4 N4",
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}