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{
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{
"id": "mp-1095797",
"created_at": "2022-09-04T14:39:23.019309Z",
"structure_string": "Hg1 Bi1 Pb2\n1.0\n-6.362379 6.375976 9.047862\n6.362379 -6.375976 9.047862\n6.362379 6.375976 -9.047862\nHg Bi Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n0.000000 0.279543 0.279543 Pb\n0.000000 0.720457 0.720457 Pb\n",
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{
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"updated_at": "2021-11-28T01:34:31.576000Z",
"spacegroup": 71
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{
"id": "mp-1096578",
"created_at": "2022-09-04T14:46:12.838234Z",
"structure_string": "Y2 Tl1 Zn1\n1.0\n-5.978523 6.647891 9.246771\n5.978523 -6.647891 9.246771\n5.978523 6.647891 -9.246771\nY Tl Zn\n2 1 1\ndirect\n0.000000 0.255420 0.255420 Y\n0.000000 0.744580 0.744580 Y\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Zn\n",
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"elements": [
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"density": 0.5056094335962541,
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"volume": 1470.035721208373,
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"formula_full": "Y2 Tl1 Zn1",
"formula_reduced": "Y2TlZn",
"formula_anonymous": "ABC2",
"energy": -8.46470775,
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"updated_at": "2021-11-28T01:37:22.501000Z",
"spacegroup": 71
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{
"id": "mp-1096224",
"created_at": "2022-09-04T14:44:19.490940Z",
"structure_string": "La1 Y1 Pb2\n1.0\n-5.907335 6.635110 9.376564\n5.907335 -6.635110 9.376564\n5.907335 6.635110 -9.376564\nLa Y Pb\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.246813 0.246813 Pb\n0.000000 0.753187 0.753187 Pb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "La-Pb-Y",
"density": 0.7254101251253546,
"density_atomic": 0.002720924871734597,
"volume": 1470.0883664788544,
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"formula_full": "La1 Y1 Pb2",
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"formula_anonymous": "ABC2",
"energy": -12.31482837,
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"energy_uncorrected": -12.31482837,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.706000Z",
"spacegroup": 71
},
{
"id": "mp-1097249",
"created_at": "2022-09-04T14:43:39.543711Z",
"structure_string": "Y2 Tl1 Hg1\n1.0\n-6.046257 6.452415 9.424505\n6.046257 -6.452415 9.424505\n6.046257 6.452415 -9.424505\nY Tl Hg\n2 1 1\ndirect\n0.000000 0.258836 0.258836 Y\n0.000000 0.741164 0.741164 Y\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
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"elements": [
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"density": 0.6580062622054313,
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"volume": 1470.7113222371595,
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"formula_full": "Y2 Tl1 Hg1",
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"formula_anonymous": "ABC2",
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"energy_uncorrected": -8.32529673,
"band_gap": 0.1208999999999997,
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"updated_at": "2021-11-28T01:36:22.182000Z",
"spacegroup": 71
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{
"id": "mp-1097349",
"created_at": "2022-09-04T14:40:13.747385Z",
"structure_string": "Sr1 Hg2 Pb1\n1.0\n-6.222020 6.482761 9.125378\n6.222020 -6.482761 9.125378\n6.222020 6.482761 -9.125378\nSr Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.263185 0.263185 Hg\n0.000000 0.736815 0.736815 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Hg",
"Pb"
],
"chemical_system": "Hg-Pb-Sr",
"density": 0.7849754400723382,
"density_atomic": 0.0027168003418920664,
"volume": 1472.320191631849,
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"formula_full": "Sr1 Hg2 Pb1",
"formula_reduced": "SrHg2Pb",
"formula_anonymous": "ABC2",
"energy": -2.8125653,
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"energy_uncorrected": -2.8125653,
"band_gap": 0.3974000000000002,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.963000Z",
"spacegroup": 71
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{
"id": "mp-1097128",
"created_at": "2022-09-04T14:41:25.479652Z",
"structure_string": "Y2 Cd1 Pb1\n1.0\n-6.181629 6.478078 9.192931\n6.181629 -6.478078 9.192931\n6.181629 6.478078 -9.192931\nY Cd Pb\n2 1 1\ndirect\n0.000000 0.269902 0.269902 Y\n0.000000 0.730098 0.730098 Y\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Pb\n",
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"Cd",
"Pb"
],
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"density": 0.56093378291204,
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"volume": 1472.526439173615,
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"formula_full": "Y2 Cd1 Pb1",
"formula_reduced": "Y2CdPb",
"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.834000Z",
"spacegroup": 71
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{
"id": "mp-1093718",
"created_at": "2022-09-04T14:41:17.719580Z",
"structure_string": "Cs2 Au1 Cl1\n1.0\n-6.307598 6.544252 8.921047\n6.307598 -6.544252 8.921047\n6.307598 6.544252 -8.921047\nCs Au Cl\n2 1 1\ndirect\n0.240553 0.000000 0.240553 Cs\n0.759447 0.000000 0.759447 Cs\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
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"density": 0.561667822068315,
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"volume": 1472.9901406998554,
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"formula_full": "Cs2 Au1 Cl1",
"formula_reduced": "Cs2AuCl",
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"total_magnetization": 1.69e-05,
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"updated_at": "2021-11-28T01:35:17.060000Z",
"spacegroup": 71
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{
"id": "mp-1096090",
"created_at": "2022-09-04T14:48:26.878226Z",
"structure_string": "Na1 Tl2 Hg1\n1.0\n-6.121396 6.522159 9.227826\n6.121396 -6.522159 9.227826\n6.121396 6.522159 -9.227826\nNa Tl Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.260110 0.260110 Tl\n0.000000 0.739890 0.739890 Tl\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"density": 0.7125295517690775,
"density_atomic": 0.00271430561879035,
"volume": 1473.6734037277015,
"volume_molar": 221.86671678791316,
"formula_full": "Na1 Tl2 Hg1",
"formula_reduced": "NaTl2Hg",
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"updated_at": "2021-11-28T01:39:39.781000Z",
"spacegroup": 71
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{
"id": "mp-1096508",
"created_at": "2022-09-04T14:41:56.334195Z",
"structure_string": "K2 Hg1 Au1\n1.0\n-6.232290 6.723906 8.798057\n6.232290 -6.723906 8.798057\n6.232290 6.723906 -8.798057\nK Hg Au\n2 1 1\ndirect\n0.228499 0.000000 0.228499 K\n0.771501 0.000000 0.771501 K\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
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"volume": 1474.7420025495746,
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"spacegroup": 71
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{
"id": "mp-1097074",
"created_at": "2022-09-04T14:46:42.829371Z",
"structure_string": "Li1 Ca1 Tl2\n1.0\n-5.939552 6.510142 9.535240\n5.939552 -6.510142 9.535240\n5.939552 6.510142 -9.535240\nLi Ca Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ca\n0.000000 0.228377 0.228377 Tl\n0.000000 0.771623 0.771623 Tl\n",
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"volume": 1474.8089699875447,
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"formula_full": "Li1 Ca1 Tl2",
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"updated_at": "2021-11-28T01:37:50.233000Z",
"spacegroup": 71
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{
"id": "mp-1093697",
"created_at": "2022-09-04T14:40:17.002776Z",
"structure_string": "La1 Y1 Cd2\n1.0\n-6.332418 6.427821 9.073010\n6.332418 -6.427821 9.073010\n6.332418 6.427821 -9.073010\nLa Y Cd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.249119 0.249119 Cd\n0.000000 0.750881 0.750881 Cd\n",
"nsites": 4,
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"density": 0.5088044353917441,
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"volume": 1477.218472213528,
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"formula_full": "La1 Y1 Cd2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:00.241000Z",
"spacegroup": 71
}
]
}