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{
"id": "mp-1184766",
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"structure_string": "Hg20\n1.0\n8.609921 0.000000 0.000000\n0.000000 8.609921 0.000000\n0.000000 0.000000 8.609921\nHg\n20\ndirect\n0.375000 0.204859 0.545141 Hg\n0.560878 0.560878 0.560878 Hg\n0.704859 0.954859 0.625000 Hg\n0.310878 0.810878 0.689122 Hg\n0.954859 0.625000 0.704859 Hg\n0.045141 0.125000 0.795141 Hg\n0.689122 0.310878 0.810878 Hg\n0.295141 0.454859 0.875000 Hg\n0.439122 0.060878 0.939122 Hg\n0.625000 0.704859 0.954859 Hg\n0.125000 0.795141 0.045141 Hg\n0.939122 0.439122 0.060878 Hg\n0.795141 0.045141 0.125000 Hg\n0.189122 0.189122 0.189122 Hg\n0.545141 0.375000 0.204859 Hg\n0.454859 0.875000 0.295141 Hg\n0.810878 0.689122 0.310878 Hg\n0.204859 0.545141 0.375000 Hg\n0.060878 0.939122 0.439122 Hg\n0.875000 0.295141 0.454859 Hg\n",
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{
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"volume": 63.645883204899725,
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"formula_full": "Hg2",
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"updated_at": "2021-11-28T01:39:52.266000Z",
"spacegroup": 194
},
{
"id": "mp-1095796",
"created_at": "2022-09-04T14:39:09.862556Z",
"structure_string": "Sr2 Zn1 Hg1\n1.0\n-6.602590 7.174756 9.335879\n6.602590 -7.174756 9.335879\n6.602590 7.174756 -9.335879\nSr Zn Hg\n2 1 1\ndirect\n0.249283 0.000000 0.249283 Sr\n0.750717 0.000000 0.750717 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
"Hg"
],
"chemical_system": "Hg-Sr-Zn",
"density": 0.4141773237978437,
"density_atomic": 0.002261118481705077,
"volume": 1769.0360024759325,
"volume_molar": 266.33459541044436,
"formula_full": "Sr2 Zn1 Hg1",
"formula_reduced": "Sr2ZnHg",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:33.791000Z",
"spacegroup": 71
},
{
"id": "mp-1097615",
"created_at": "2022-09-04T14:42:43.651075Z",
"structure_string": "Ba2 Mg1 Hg1\n1.0\n-6.802746 7.104682 9.645393\n6.802746 -7.104682 9.645393\n6.802746 7.104682 -9.645393\nBa Mg Hg\n2 1 1\ndirect\n0.264218 0.000000 0.264218 Ba\n0.735782 0.000000 0.735782 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ba-Hg-Mg",
"density": 0.4448548940688712,
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"volume": 1864.699346327837,
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"formula_full": "Ba2 Mg1 Hg1",
"formula_reduced": "Ba2MgHg",
"formula_anonymous": "ABC2",
"energy": -1.22113816,
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"updated_at": "2021-11-28T01:35:58.262000Z",
"spacegroup": 71
},
{
"id": "mp-1096352",
"created_at": "2022-09-04T14:46:03.994167Z",
"structure_string": "Sr2 Cd1 Hg1\n1.0\n-6.716222 7.276144 9.496108\n6.716222 -7.276144 9.496108\n6.716222 7.276144 -9.496108\nSr Cd Hg\n2 1 1\ndirect\n0.251368 0.000000 0.251368 Sr\n0.748632 0.000000 0.748632 Sr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.4367685700253632,
"density_atomic": 0.0021549044911391077,
"volume": 1856.2307593899686,
"volume_molar": 279.4620729022021,
"formula_full": "Sr2 Cd1 Hg1",
"formula_reduced": "Sr2CdHg",
"formula_anonymous": "ABC2",
"energy": -1.223107,
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"updated_at": "2021-11-28T01:37:21.940000Z",
"spacegroup": 71
},
{
"id": "mp-1097100",
"created_at": "2022-09-04T14:41:21.335675Z",
"structure_string": "Ba1 Sr1 Zn2\n1.0\n-6.547546 6.665013 9.246458\n6.547546 -6.665013 9.246458\n6.547546 6.665013 -9.246458\nBa Sr Zn\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.253391 0.000000 0.253391 Zn\n0.746609 0.000000 0.746609 Zn\n",
"nsites": 4,
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"elements": [
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"Zn"
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"density": 0.36601372057388754,
"density_atomic": 0.0024782495705299606,
"volume": 1614.0424465582057,
"volume_molar": 242.99977014470733,
"formula_full": "Ba1 Sr1 Zn2",
"formula_reduced": "BaSrZn2",
"formula_anonymous": "ABC2",
"energy": -1.23601828,
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"updated_at": "2021-11-28T01:35:17.647000Z",
"spacegroup": 71
},
{
"id": "mp-1096405",
"created_at": "2022-09-04T14:46:33.921761Z",
"structure_string": "Ba1 Sr2 Ca1\n1.0\n-7.789858 7.804859 11.027813\n7.789858 -7.804859 11.027813\n7.789858 7.804859 -11.027813\nBa Sr Ca\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.741732 0.000000 0.741732 Sr\n0.258268 0.000000 0.258268 Sr\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
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"density": 0.21834479368707307,
"density_atomic": 0.001491475089397117,
"volume": 2681.908687872807,
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"formula_full": "Ba1 Sr2 Ca1",
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"updated_at": "2021-11-28T01:37:33.046000Z",
"spacegroup": 71
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{
"id": "mp-1095881",
"created_at": "2022-09-04T14:39:27.446377Z",
"structure_string": "Ba1 Sr1 Cd2\n1.0\n-7.039475 7.532108 9.767602\n7.039475 -7.532108 9.767602\n7.039475 7.532108 -9.767602\nBa Sr Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.247223 0.000000 0.247223 Cd\n0.752777 0.000000 0.752777 Cd\n",
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],
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"density": 0.3605237337973591,
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"volume": 2071.5945315972044,
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"formula_full": "Ba1 Sr1 Cd2",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "mp-1096564",
"created_at": "2022-09-04T14:41:26.813087Z",
"structure_string": "Sr2 Zn1 Cd1\n1.0\n-6.718771 7.263720 9.499507\n6.718771 -7.263720 9.499507\n6.718771 7.263720 -9.499507\nSr Zn Cd\n2 1 1\ndirect\n0.752137 0.000000 0.752137 Sr\n0.247863 0.000000 0.247863 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Cd\n",
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"density": 0.3161459496254937,
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"volume": 1854.42806889758,
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"formula_full": "Sr2 Zn1 Cd1",
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"updated_at": "2021-11-28T01:35:21.110000Z",
"spacegroup": 71
},
{
"id": "mp-1097603",
"created_at": "2022-09-04T14:47:56.378380Z",
"structure_string": "Ba2 Mg1 Zn1\n1.0\n-6.715351 6.753879 9.569154\n6.715351 -6.753879 9.569154\n6.715351 6.753879 -9.569154\nBa Mg Zn\n2 1 1\ndirect\n0.000000 0.266732 0.266732 Ba\n0.000000 0.733268 0.733268 Ba\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zn\n",
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"density": 0.34852488927103753,
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"volume": 1736.0232145382915,
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"formula_full": "Ba2 Mg1 Zn1",
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"spacegroup": 71
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{
"id": "mp-1096276",
"created_at": "2022-09-04T14:39:23.878546Z",
"structure_string": "Ba2 Mg1 Cd1\n1.0\n-6.950984 7.205083 9.826013\n6.950984 -7.205083 9.826013\n6.950984 7.205083 -9.826013\nBa Mg Cd\n2 1 1\ndirect\n0.739462 0.000000 0.739462 Ba\n0.260538 0.000000 0.260538 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
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"density": 0.3470236804678305,
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"volume": 1968.441908362982,
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"formula_full": "Ba2 Mg1 Cd1",
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"updated_at": "2021-11-28T01:34:40.109000Z",
"spacegroup": 71
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{
"id": "mp-1097359",
"created_at": "2022-09-04T14:46:10.959591Z",
"structure_string": "Ba1 Ca1 Hg2\n1.0\n-6.723908 6.898591 9.529650\n6.723908 -6.898591 9.529650\n6.723908 6.898591 -9.529650\nBa Ca Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.238050 0.000000 0.238050 Hg\n0.761950 0.000000 0.761950 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.5433718880158018,
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"volume": 1768.1499853758,
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"formula_full": "Ba1 Ca1 Hg2",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:26.776000Z",
"spacegroup": 71
}
]
}