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{
"id": "mp-1183916",
"created_at": "2022-09-04T14:46:28.340565Z",
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{
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{
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"structure_string": "Cd1 Sn1 Au1\n1.0\n0.000000 3.323926 3.323926\n3.323926 0.000000 3.323926\n3.323926 3.323926 0.000000\nCd Sn Au\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Sn\n0.000000 0.000000 0.000000 Au\n",
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"spacegroup": 216
},
{
"id": "mp-1017453",
"created_at": "2022-09-04T14:39:25.880912Z",
"structure_string": "Ce2 Mg12 Cr2\n1.0\n5.035373 0.000000 0.000000\n0.000000 6.522096 0.000000\n0.000000 0.000000 11.411737\nCe Mg Cr\n2 12 2\ndirect\n0.000000 0.500000 0.322324 Ce\n0.000000 0.000000 0.822324 Ce\n0.000000 0.738682 0.078448 Mg\n0.000000 0.261318 0.078448 Mg\n0.000000 0.000000 0.338190 Mg\n0.500000 0.241393 0.423696 Mg\n0.500000 0.758607 0.423696 Mg\n0.500000 0.000000 0.167459 Mg\n0.000000 0.238682 0.578448 Mg\n0.000000 0.761318 0.578448 Mg\n0.000000 0.500000 0.838190 Mg\n0.500000 0.741392 0.923696 Mg\n0.500000 0.258608 0.923696 Mg\n0.500000 0.500000 0.667459 Mg\n0.500000 0.500000 0.167739 Cr\n0.500000 0.000000 0.667739 Cr\n",
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"volume": 374.77497856188813,
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"formula_full": "Ce2 Mg12 Cr2",
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{
"id": "mp-1112133",
"created_at": "2022-09-04T14:44:42.464601Z",
"structure_string": "Cs2 Rb1 Al1 I6\n1.0\n0.000000 6.278717 6.278717\n6.278717 0.000000 6.278717\n6.278717 6.278717 0.000000\nCs Rb Al I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.778425 0.221575 0.221575 I\n0.221575 0.221575 0.778425 I\n0.221575 0.778425 0.778425 I\n0.221575 0.778425 0.221575 I\n0.778425 0.221575 0.778425 I\n0.778425 0.778425 0.221575 I\n",
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"elements": [
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"density_atomic": 0.020200274848600614,
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"formula_full": "Cs2 Rb1 Al1 I6",
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"spacegroup": 225
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{
"id": "mp-1016588",
"created_at": "2022-09-04T14:40:32.858369Z",
"structure_string": "Mg12 Nb2 Sb2\n1.0\n5.271452 0.000000 0.000000\n0.000000 5.962062 0.000000\n0.000000 0.000000 10.966303\nMg Nb Sb\n12 2 2\ndirect\n0.500000 0.748138 0.917550 Mg\n0.500000 0.251862 0.917550 Mg\n0.000000 0.260534 0.582930 Mg\n0.000000 0.739466 0.582930 Mg\n0.000000 0.500000 0.826883 Mg\n0.000000 0.000000 0.835413 Mg\n0.500000 0.248138 0.417550 Mg\n0.500000 0.751862 0.417550 Mg\n0.000000 0.760534 0.082930 Mg\n0.000000 0.239466 0.082930 Mg\n0.000000 0.000000 0.326883 Mg\n0.000000 0.500000 0.335413 Mg\n0.500000 0.500000 0.668539 Nb\n0.500000 0.000000 0.168539 Nb\n0.500000 0.000000 0.668201 Sb\n0.500000 0.500000 0.168201 Sb\n",
"nsites": 16,
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"elements": [
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"volume": 344.65690649329434,
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"formula_full": "Mg12 Nb2 Sb2",
"formula_reduced": "Mg6NbSb",
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"spacegroup": 38
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{
"id": "mp-7089",
"created_at": "2022-09-04T14:39:05.474779Z",
"structure_string": "K2 Mg2 Sb2\n1.0\n4.845267 0.000000 0.000000\n0.000000 4.845267 0.000000\n0.000000 0.000000 8.355907\nK Mg Sb\n2 2 2\ndirect\n0.500000 0.000000 0.649338 K\n0.000000 0.500000 0.350662 K\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.200769 Sb\n0.000000 0.500000 0.799231 Sb\n",
"nsites": 6,
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},
{
"id": "mp-1183428",
"created_at": "2022-09-04T14:48:07.309199Z",
"structure_string": "Be1 Ga3\n1.0\n-2.043620 2.043620 3.790685\n2.043620 -2.043620 3.790685\n2.043620 2.043620 -3.790685\nBe Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Be\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n",
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{
"id": "mp-1099327",
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"structure_string": "Ce1 Mg6 Cr1\n1.0\n3.141560 -5.816832 0.000000\n3.141560 5.816832 0.000000\n0.000000 0.000000 5.175162\nCe Mg Cr\n1 6 1\ndirect\n0.832762 0.167238 0.500000 Ce\n0.336806 0.174166 0.500000 Mg\n0.825834 0.663194 0.500000 Mg\n0.178297 0.345988 0.000000 Mg\n0.654012 0.821703 0.000000 Mg\n0.663777 0.336223 0.000000 Mg\n0.172618 0.827382 0.000000 Mg\n0.335897 0.664103 0.500000 Cr\n",
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{
"id": "mp-1017463",
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{
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{
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"structure_string": "Hg10 Br4 O8\n1.0\n-3.155391 6.009216 6.095705\n3.155391 -6.009216 6.095705\n3.155391 6.009216 -6.095705\nHg Br O\n10 4 8\ndirect\n0.139288 0.354252 0.214964 Hg\n0.360712 0.075676 0.714964 Hg\n0.860712 0.645748 0.785036 Hg\n0.639288 0.924324 0.285036 Hg\n0.588886 0.338886 0.250000 Hg\n0.911114 0.661114 0.250000 Hg\n0.411114 0.661114 0.750000 Hg\n0.088886 0.338886 0.750000 Hg\n0.250000 0.000000 0.250000 Hg\n0.750000 0.000000 0.750000 Hg\n0.890128 0.163156 0.273028 Br\n0.609872 0.382900 0.773028 Br\n0.109872 0.836844 0.726972 Br\n0.390128 0.617100 0.226972 Br\n0.678268 0.654907 0.622764 O\n0.821732 0.944496 0.476639 O\n0.532143 0.055504 0.877236 O\n0.967857 0.345093 0.023361 O\n0.032143 0.654907 0.976639 O\n0.467857 0.944496 0.122764 O\n0.321732 0.345093 0.377236 O\n0.178268 0.055504 0.523361 O\n",
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]
}