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{
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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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{
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"nsites": 4,
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"elements": [
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"volume": 1472.320191631849,
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"updated_at": "2021-11-28T01:34:55.963000Z",
"spacegroup": 71
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{
"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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"chemical_system": "Hg-Tl-Y",
"density": 0.6580062622054313,
"density_atomic": 0.0027197723574436316,
"volume": 1470.7113222371595,
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"formula_full": "Y2 Tl1 Hg1",
"formula_reduced": "Y2TlHg",
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"updated_at": "2021-11-28T01:36:22.182000Z",
"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",
"formula_reduced": "LaYPb2",
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"energy": -12.31482837,
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"updated_at": "2021-11-28T01:36:36.706000Z",
"spacegroup": 71
},
{
"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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"volume": 1470.035721208373,
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"formula_full": "Y2 Tl1 Zn1",
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"band_gap": 0.1242,
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"updated_at": "2021-11-28T01:37:22.501000Z",
"spacegroup": 71
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{
"id": "mp-1095833",
"created_at": "2022-09-04T14:39:15.586492Z",
"structure_string": "Tl2 Hg1 Te1\n1.0\n-6.231816 6.714612 8.778527\n6.231816 -6.714612 8.778527\n6.231816 6.714612 -8.778527\nTl Hg Te\n2 1 1\ndirect\n0.785815 0.000000 0.785815 Tl\n0.214185 0.000000 0.214185 Tl\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Te\n",
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"Te"
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"chemical_system": "Hg-Te-Tl",
"density": 0.8328634917322896,
"density_atomic": 0.0027223427717780048,
"volume": 1469.3226883356563,
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"formula_full": "Tl2 Hg1 Te1",
"formula_reduced": "Tl2HgTe",
"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.576000Z",
"spacegroup": 71
},
{
"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",
"nsites": 4,
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"elements": [
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"Bi",
"Pb"
],
"chemical_system": "Bi-Hg-Pb",
"density": 0.9319412584421152,
"density_atomic": 0.0027245063367953223,
"volume": 1468.155880564024,
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"formula_full": "Hg1 Bi1 Pb2",
"formula_reduced": "HgBiPb2",
"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.146000Z",
"spacegroup": 71
},
{
"id": "mp-1096182",
"created_at": "2022-09-04T14:44:19.181488Z",
"structure_string": "Ca2 Cd1 Au1\n1.0\n-6.292015 6.416382 9.090497\n6.292015 -6.416382 9.090497\n6.292015 6.416382 -9.090497\nCa Cd Au\n2 1 1\ndirect\n0.000000 0.269421 0.269421 Ca\n0.000000 0.730579 0.730579 Ca\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"density": 0.44062223311839893,
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"volume": 1468.0051537545005,
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"formula_full": "Ca2 Cd1 Au1",
"formula_reduced": "Ca2CdAu",
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"updated_at": "2021-11-28T01:36:35.994000Z",
"spacegroup": 71
},
{
"id": "mp-1096110",
"created_at": "2022-09-04T14:46:22.944671Z",
"structure_string": "Ba2 Zn1 Pd1\n1.0\n-6.024525 6.559923 9.278644\n6.024525 -6.559923 9.278644\n6.024525 6.559923 -9.278644\nBa Zn Pd\n2 1 1\ndirect\n0.000000 0.266552 0.266552 Ba\n0.000000 0.733448 0.733448 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"density": 0.5054613686612356,
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"volume": 1466.7836357829788,
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"formula_full": "Ba2 Zn1 Pd1",
"formula_reduced": "Ba2ZnPd",
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"updated_at": "2021-11-28T01:37:30.327000Z",
"spacegroup": 71
},
{
"id": "mp-1097370",
"created_at": "2022-09-04T14:44:12.980820Z",
"structure_string": "Ca2 Mg1 Ga1\n1.0\n-6.314174 6.412769 9.047189\n6.314174 -6.412769 9.047189\n6.314174 6.412769 -9.047189\nCa Mg Ga\n2 1 1\ndirect\n0.000000 0.273442 0.273442 Ca\n0.000000 0.726558 0.726558 Ca\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"density": 0.19738837011759555,
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"formula_full": "Ca2 Mg1 Ga1",
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"updated_at": "2021-11-28T01:36:27.765000Z",
"spacegroup": 71
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{
"id": "mp-1096674",
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"structure_string": "Li2 Ca1 Mg1\n1.0\n-6.310738 6.509236 8.917315\n6.310738 -6.509236 8.917315\n6.310738 6.509236 -8.917315\nLi Ca Mg\n2 1 1\ndirect\n0.765712 0.000000 0.765712 Li\n0.234288 0.000000 0.234288 Li\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
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"volume": 1465.2248219785101,
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"formula_full": "Li2 Ca1 Mg1",
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"updated_at": "2021-11-28T01:34:32.967000Z",
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{
"id": "mp-1182980",
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"structure_string": "Ag1 I1\n1.0\n5.179415 -8.971011 0.000000\n5.179415 8.971011 0.000000\n0.000000 0.000000 7.883519\nAg I\n1 1\ndirect\n0.000000 0.000000 0.997507 Ag\n0.000000 0.000000 0.672493 I\n",
"nsites": 2,
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"volume": 732.608939448734,
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"formula_full": "Ag1 I1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.890000Z",
"spacegroup": 183
}
]
}