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{
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{
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{
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{
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{
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{
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{
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"formula_full": "Cd2 Cu4 O8",
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},
{
"id": "mp-1207511",
"created_at": "2022-09-04T14:44:59.397370Z",
"structure_string": "Zr12 Fe2 I28\n1.0\n7.520528 -8.162848 0.000000\n7.520528 8.162848 0.000000\n0.000000 0.000000 13.369653\nZr Fe I\n12 2 28\ndirect\n0.954752 0.175157 0.112006 Zr\n0.045248 0.824843 0.887994 Zr\n0.545248 0.324843 0.612006 Zr\n0.675157 0.454752 0.387994 Zr\n0.454752 0.675157 0.387994 Zr\n0.324843 0.545248 0.612006 Zr\n0.824843 0.045248 0.887994 Zr\n0.175157 0.954752 0.112006 Zr\n0.363268 0.363268 0.399773 Zr\n0.636732 0.636732 0.600227 Zr\n0.136732 0.136732 0.899773 Zr\n0.863268 0.863268 0.100227 Zr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.286839 0.534810 0.254500 I\n0.713161 0.465190 0.745500 I\n0.213161 0.965190 0.754500 I\n0.034810 0.786839 0.245500 I\n0.786839 0.034810 0.245500 I\n0.965190 0.213161 0.754500 I\n0.465190 0.713161 0.745500 I\n0.534810 0.286839 0.254500 I\n0.113681 0.360318 0.009624 I\n0.886319 0.639682 0.990376 I\n0.386319 0.139682 0.509624 I\n0.860318 0.613681 0.490376 I\n0.613681 0.860318 0.490376 I\n0.139682 0.386319 0.509624 I\n0.639682 0.886319 0.990376 I\n0.360318 0.113681 0.009624 I\n0.896797 0.396797 0.250000 I\n0.103203 0.603203 0.750000 I\n0.603203 0.103203 0.750000 I\n0.396797 0.896797 0.250000 I\n0.749568 0.250432 0.000000 I\n0.250432 0.749568 0.000000 I\n0.750432 0.249568 0.500000 I\n0.249568 0.750432 0.500000 I\n0.149929 0.149929 0.261122 I\n0.850071 0.850071 0.738878 I\n0.350071 0.350071 0.761122 I\n0.649929 0.649929 0.238878 I\n",
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"formula_full": "Zr12 Fe2 I28",
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"spacegroup": 64
},
{
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"created_at": "2022-09-04T14:39:31.923506Z",
"structure_string": "C4 Br12 F4\n1.0\n6.604360 0.000000 0.000000\n0.000000 9.502543 0.000000\n0.000000 0.000000 10.229411\nC Br F\n4 12 4\ndirect\n0.105817 0.921834 0.250000 C\n0.605817 0.578166 0.750000 C\n0.394183 0.421834 0.250000 C\n0.894183 0.078166 0.750000 C\n0.869091 0.798057 0.250000 Br\n0.369091 0.701943 0.750000 Br\n0.630909 0.298057 0.250000 Br\n0.130909 0.201943 0.750000 Br\n0.267707 0.892509 0.092786 Br\n0.767707 0.607491 0.907214 Br\n0.232293 0.392509 0.407214 Br\n0.732293 0.107491 0.592786 Br\n0.732293 0.107491 0.907214 Br\n0.232293 0.392509 0.092786 Br\n0.767707 0.607491 0.592786 Br\n0.267707 0.892509 0.407214 Br\n0.038392 0.057346 0.250000 F\n0.538392 0.442654 0.750000 F\n0.461608 0.557346 0.250000 F\n0.961608 0.942654 0.750000 F\n",
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"elements": [
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],
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"density": 2.8009798842570337,
"density_atomic": 0.031153639179528785,
"volume": 641.9795737103517,
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"formula_full": "C4 Br12 F4",
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"updated_at": "2021-11-28T01:34:26.039000Z",
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{
"id": "mp-1222669",
"created_at": "2022-09-04T14:44:13.437924Z",
"structure_string": "Li2 I1 Br1\n1.0\n2.198461 -3.807847 0.000000\n2.198461 3.807847 0.000000\n0.000000 0.000000 7.091901\nLi I Br\n2 1 1\ndirect\n0.666667 0.333333 0.481316 Li\n0.000000 0.000000 0.020980 Li\n0.000000 0.000000 0.625187 I\n0.666667 0.333333 0.122517 Br\n",
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"density": 3.0863257420869115,
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"volume": 118.73832436543749,
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"formula_full": "Li2 I1 Br1",
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]
}