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{
"id": "mp-1095838",
"created_at": "2022-09-04T14:47:15.977204Z",
"structure_string": "Na2 Tl1 Hg1\n1.0\n-6.369666 6.538755 9.236986\n6.369666 -6.538755 9.236986\n6.369666 6.538755 -9.236986\nNa Tl Hg\n2 1 1\ndirect\n0.000000 0.249656 0.249656 Na\n0.000000 0.750344 0.750344 Na\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
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{
"id": "mp-1093746",
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"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",
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"chemical_system": "Ba-Cd-Hg",
"density": 0.48725577939326753,
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"volume": 2002.6937112945527,
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"formula_full": "Ba2 Cd1 Hg1",
"formula_reduced": "Ba2CdHg",
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"energy": -1.35105391,
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"updated_at": "2021-11-28T01:34:36.268000Z",
"spacegroup": 71
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{
"id": "mp-1226137",
"created_at": "2022-09-04T14:41:51.813703Z",
"structure_string": "Cu2 Hg1 I4\n1.0\n10.035405 -17.380747 0.000000\n10.035405 17.380747 0.000000\n0.000000 0.000000 8.154920\nCu Hg I\n2 1 4\ndirect\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Hg\n0.666649 0.333351 0.835930 I\n0.333351 0.666649 0.835930 I\n0.333351 0.666649 0.164070 I\n0.666649 0.333351 0.164070 I\n",
"nsites": 7,
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"elements": [
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"chemical_system": "Cu-Hg-I",
"density": 0.48757168192239914,
"density_atomic": 0.0024606225372604293,
"volume": 2844.8085368646402,
"volume_molar": 244.74053491783587,
"formula_full": "Cu2 Hg1 I4",
"formula_reduced": "Cu2HgI4",
"formula_anonymous": "AB2C4",
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"updated_at": "2021-11-28T01:35:31.029000Z",
"spacegroup": 65
},
{
"id": "mp-1095906",
"created_at": "2022-09-04T14:39:20.910511Z",
"structure_string": "Sr1 La1 Zn2\n1.0\n-5.783109 6.413229 8.189541\n5.783109 -6.413229 8.189541\n5.783109 6.413229 -8.189541\nSr La Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 La\n0.263199 0.000000 0.263199 Zn\n0.736801 0.000000 0.736801 Zn\n",
"nsites": 4,
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"elements": [
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"chemical_system": "La-Sr-Zn",
"density": 0.48840181507350566,
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"volume": 1214.9479666452498,
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"formula_full": "Sr1 La1 Zn2",
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"energy_uncorrected": -2.86907069,
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"updated_at": "2021-11-28T01:34:30.232000Z",
"spacegroup": 71
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{
"id": "mp-1093713",
"created_at": "2022-09-04T14:42:06.810961Z",
"structure_string": "Mg2 In1 Pb1\n1.0\n-5.785181 6.204405 8.768864\n5.785181 -6.204405 8.768864\n5.785181 6.204405 -8.768864\nMg In Pb\n2 1 1\ndirect\n0.000000 0.253201 0.253201 Mg\n0.000000 0.746799 0.746799 Mg\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"In",
"Pb"
],
"chemical_system": "In-Mg-Pb",
"density": 0.4888401935319823,
"density_atomic": 0.0031771635770773674,
"volume": 1258.9845952091487,
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"formula_full": "Mg2 In1 Pb1",
"formula_reduced": "Mg2InPb",
"formula_anonymous": "ABC2",
"energy": -4.48343363,
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"band_gap": 0.1118000000000001,
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"updated_at": "2021-11-28T01:35:38.050000Z",
"spacegroup": 71
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{
"id": "mp-1096326",
"created_at": "2022-09-04T14:40:34.120689Z",
"structure_string": "K1 Na1 Hg2\n1.0\n-6.443670 6.736404 9.057524\n6.443670 -6.736404 9.057524\n6.443670 6.736404 -9.057524\nK Na Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Na\n0.237187 0.000000 0.237187 Hg\n0.762813 0.000000 0.762813 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
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"chemical_system": "Hg-K-Na",
"density": 0.4891595810297792,
"density_atomic": 0.002543484472530325,
"volume": 1572.6457319476754,
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"formula_full": "K1 Na1 Hg2",
"formula_reduced": "KNaHg2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:57.073000Z",
"spacegroup": 71
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{
"id": "mp-1093947",
"created_at": "2022-09-04T14:45:29.305358Z",
"structure_string": "Sr2 Cu1 Pd1\n1.0\n-5.743624 6.008000 8.487450\n5.743624 -6.008000 8.487450\n5.743624 6.008000 -8.487450\nSr Cu Pd\n2 1 1\ndirect\n0.000000 0.262651 0.262651 Sr\n0.000000 0.737349 0.737349 Sr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"volume": 1171.5292755398016,
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"formula_full": "Sr2 Cu1 Pd1",
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"updated_at": "2021-11-28T01:36:58.556000Z",
"spacegroup": 71
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{
"id": "mp-1097423",
"created_at": "2022-09-04T14:42:25.817978Z",
"structure_string": "Y2 Si1 Pd1\n1.0\n-5.243585 5.986765 8.433024\n5.243585 -5.986765 8.433024\n5.243585 5.986765 -8.433024\nY Si Pd\n2 1 1\ndirect\n0.000000 0.249115 0.249115 Y\n0.000000 0.750885 0.750885 Y\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Pd\n",
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"volume": 1058.921707039644,
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"formula_full": "Y2 Si1 Pd1",
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"updated_at": "2021-11-28T01:35:46.402000Z",
"spacegroup": 71
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{
"id": "mp-1095924",
"created_at": "2022-09-04T14:41:59.377664Z",
"structure_string": "Li1 Ga2 Cu1\n1.0\n-4.938532 5.145698 6.994842\n4.938532 -5.145698 6.994842\n4.938532 5.145698 -6.994842\nLi Ga Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.267101 0.000000 0.267101 Ga\n0.732899 0.000000 0.732899 Ga\n0.500000 0.000000 0.500000 Cu\n",
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{
"id": "mp-1095803",
"created_at": "2022-09-04T14:41:31.031824Z",
"structure_string": "Y2 In1 Pd1\n1.0\n-5.643129 6.513628 9.187108\n5.643129 -6.513628 9.187108\n5.643129 6.513628 -9.187108\nY In Pd\n2 1 1\ndirect\n0.000000 0.227922 0.227922 Y\n0.000000 0.772078 0.772078 Y\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Pd\n",
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{
"id": "mp-1097424",
"created_at": "2022-09-04T14:46:25.142375Z",
"structure_string": "Y1 Zn2 Ag1\n1.0\n-5.736728 5.890208 8.199925\n5.736728 -5.890208 8.199925\n5.736728 5.890208 -8.199925\nY Zn Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.275217 0.275217 Zn\n0.000000 0.724783 0.724783 Zn\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"formula_full": "Y1 Zn2 Ag1",
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"updated_at": "2021-11-28T01:37:36.109000Z",
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}
]
}