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{
"id": "mp-1096276",
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"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",
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{
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"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",
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{
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"structure_string": "Na1\n1.0\n-1.835922 1.835922 2.748327\n1.835922 -1.835922 2.748327\n1.835922 1.835922 -2.748327\nNa\n1\ndirect\n0.000000 0.000000 0.000000 Na\n",
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"formula_full": "Na1",
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"updated_at": "2021-11-28T01:34:46.212000Z",
"spacegroup": 139
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{
"id": "mp-127",
"created_at": "2022-09-04T14:40:23.737494Z",
"structure_string": "Na1\n1.0\n-2.086311 2.086311 2.086311\n2.086311 -2.086311 2.086311\n2.086311 2.086311 -2.086311\nNa\n1\ndirect\n0.000000 0.000000 0.000000 Na\n",
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"formula_full": "Na1",
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"updated_at": "2021-11-28T01:34:55.406000Z",
"spacegroup": 229
},
{
"id": "mp-974558",
"created_at": "2022-09-04T14:42:13.360169Z",
"structure_string": "Na1\n1.0\n0.000000 2.626732 2.626732\n2.626732 0.000000 2.626732\n2.626732 2.626732 0.000000\nNa\n1\ndirect\n0.000000 0.000000 0.000000 Na\n",
"nsites": 1,
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"elements": [
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"formula_full": "Na1",
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"updated_at": "2021-11-28T01:35:39.821000Z",
"spacegroup": 225
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{
"id": "mp-1096403",
"created_at": "2022-09-04T14:41:05.401929Z",
"structure_string": "Ca2 Mg1 Hg1\n1.0\n-6.281515 6.990040 8.888740\n6.281515 -6.990040 8.888740\n6.281515 6.990040 -8.888740\nCa Mg Hg\n2 1 1\ndirect\n0.741281 0.000000 0.741281 Ca\n0.258719 0.000000 0.258719 Ca\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": "Ca-Hg-Mg",
"density": 0.32447205095369036,
"density_atomic": 0.0025622159759571767,
"volume": 1561.1486453657385,
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"formula_full": "Ca2 Mg1 Hg1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:16.725000Z",
"spacegroup": 71
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{
"id": "mp-1096400",
"created_at": "2022-09-04T14:41:04.581115Z",
"structure_string": "Cs2 Cd1 Hg1\n1.0\n-7.080677 7.851528 10.057049\n7.080677 -7.851528 10.057049\n7.080677 7.851528 -10.057049\nCs Cd Hg\n2 1 1\ndirect\n0.749053 0.000000 0.749053 Cs\n0.250947 0.000000 0.250947 Cs\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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"density": 0.42976102505157343,
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"volume": 2236.4517079176258,
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"formula_full": "Cs2 Cd1 Hg1",
"formula_reduced": "Cs2CdHg",
"formula_anonymous": "ABC2",
"energy": -1.34018714,
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"total_magnetization": 1.74e-05,
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"updated_at": "2021-11-28T01:35:22.317000Z",
"spacegroup": 71
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{
"id": "mp-1097478",
"created_at": "2022-09-04T14:39:08.964033Z",
"structure_string": "Ba2 Cd1 Hg1\n1.0\n-6.908156 7.372628 9.830375\n6.908156 -7.372628 9.830375\n6.908156 7.372628 -9.830375\nBa Cd Hg\n2 1 1\ndirect\n0.748705 0.000000 0.748705 Ba\n0.251295 0.000000 0.251295 Ba\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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"Cd",
"Hg"
],
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"density": 0.48725577939326753,
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"volume": 2002.6937112945527,
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"formula_full": "Ba2 Cd1 Hg1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:36.268000Z",
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{
"id": "mp-1093855",
"created_at": "2022-09-04T14:47:26.227906Z",
"structure_string": "Ca2 Mg1 Cd1\n1.0\n-6.474925 6.793823 9.155077\n6.474925 -6.793823 9.155077\n6.474925 6.793823 -9.155077\nCa Mg Cd\n2 1 1\ndirect\n0.250538 0.000000 0.250538 Ca\n0.749462 0.000000 0.749462 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
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"density": 0.2235535748613668,
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"volume": 1610.9088332629021,
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"formula_full": "Ca2 Mg1 Cd1",
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"updated_at": "2021-11-28T01:38:07.090000Z",
"spacegroup": 71
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{
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"created_at": "2022-09-04T14:43:23.984655Z",
"structure_string": "Ba1 Ca1 Mg2\n1.0\n-6.997653 7.122970 9.858401\n6.997653 -7.122970 9.858401\n6.997653 7.122970 -9.858401\nBa Ca Mg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.245361 0.000000 0.245361 Mg\n0.754639 0.000000 0.754639 Mg\n",
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"formula_full": "Ba1 Ca1 Mg2",
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"updated_at": "2021-11-28T01:36:19.756000Z",
"spacegroup": 71
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{
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"structure_string": "Mg1\n1.0\n1.527549 -2.645793 0.000000\n1.527549 2.645793 0.000000\n0.000000 0.000000 3.159751\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
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{
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"created_at": "2022-09-04T14:45:55.461439Z",
"structure_string": "Ba1 Sr1 Ca2\n1.0\n-7.573049 7.701679 10.711418\n7.573049 -7.701679 10.711418\n7.573049 7.701679 -10.711418\nBa Sr Ca\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.268036 0.000000 0.268036 Ca\n0.731964 0.000000 0.731964 Ca\n",
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"volume": 2498.982065018342,
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"formula_full": "Ba1 Sr1 Ca2",
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"updated_at": "2021-11-28T01:37:11.688000Z",
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]
}