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"results": [
{
"id": "mp-1097510",
"created_at": "2022-09-04T14:46:54.594834Z",
"structure_string": "Mn2 Nb1 Ga1\n1.0\n-4.938492 5.181134 7.359230\n4.938492 -5.181134 7.359230\n4.938492 5.181134 -7.359230\nMn Nb Ga\n2 1 1\ndirect\n0.000000 0.260157 0.260157 Mn\n0.000000 0.739843 0.739843 Mn\n0.000000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Ga\n",
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"volume": 753.2021426387458,
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{
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"spacegroup": 71
},
{
"id": "mp-1093905",
"created_at": "2022-09-04T14:43:53.576778Z",
"structure_string": "Li1 La2 Tl1\n1.0\n-6.004615 6.312828 8.919870\n6.004615 -6.312828 8.919870\n6.004615 6.312828 -8.919870\nLi La Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.256999 0.256999 La\n0.000000 0.743001 0.743001 La\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "La-Li-Tl",
"density": 0.6005517137948675,
"density_atomic": 0.002957551744079407,
"volume": 1352.4699975266449,
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"formula_full": "Li1 La2 Tl1",
"formula_reduced": "LiLa2Tl",
"formula_anonymous": "ABC2",
"energy": -5.83802725,
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"energy_uncorrected": -5.83802725,
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"updated_at": "2021-11-28T01:36:23.141000Z",
"spacegroup": 71
},
{
"id": "mp-1097294",
"created_at": "2022-09-04T14:41:51.247414Z",
"structure_string": "Li1 Be2 Au1\n1.0\n-4.756208 4.802997 6.716214\n4.756208 -4.802997 6.716214\n4.756208 4.802997 -6.716214\nLi Be Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.266256 0.000000 0.266256 Be\n0.733744 0.000000 0.733744 Be\n0.500000 0.000000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Be",
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],
"chemical_system": "Au-Be-Li",
"density": 0.6004975250877556,
"density_atomic": 0.006517819359253371,
"volume": 613.7021877295795,
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"formula_full": "Li1 Be2 Au1",
"formula_reduced": "LiBe2Au",
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"band_gap": 1.3302,
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"updated_at": "2021-11-28T01:35:26.721000Z",
"spacegroup": 71
},
{
"id": "mp-1095978",
"created_at": "2022-09-04T14:43:33.826513Z",
"structure_string": "Y2 Ga1 Au1\n1.0\n-5.745540 6.164637 8.680030\n5.745540 -6.164637 8.680030\n5.745540 6.164637 -8.680030\nY Ga Au\n2 1 1\ndirect\n0.000000 0.247488 0.247488 Y\n0.000000 0.752512 0.752512 Y\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Au-Ga-Y",
"density": 0.6002090286446082,
"density_atomic": 0.0032526730601255597,
"volume": 1229.7577795432019,
"volume_molar": 185.14436122785523,
"formula_full": "Y2 Ga1 Au1",
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"formula_anonymous": "ABC2",
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"energy_uncorrected": -12.08724762,
"band_gap": 0.1316000000000001,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:36:24.328000Z",
"spacegroup": 71
},
{
"id": "mp-1096458",
"created_at": "2022-09-04T14:39:47.711976Z",
"structure_string": "Na1 Tl1 Cd2\n1.0\n-6.044578 6.146596 8.418492\n6.044578 -6.146596 8.418492\n6.044578 6.146596 -8.418492\nNa Tl Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Tl\n0.000000 0.249998 0.249998 Cd\n0.000000 0.750002 0.750002 Cd\n",
"nsites": 4,
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"elements": [
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"Tl",
"Cd"
],
"chemical_system": "Cd-Na-Tl",
"density": 0.6001778590395918,
"density_atomic": 0.0031971649360757522,
"volume": 1251.1084288662503,
"volume_molar": 188.35877661637514,
"formula_full": "Na1 Tl1 Cd2",
"formula_reduced": "NaTlCd2",
"formula_anonymous": "ABC2",
"energy": -2.48301332,
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"energy_uncorrected": -2.48301332,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.332000Z",
"spacegroup": 71
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{
"id": "mp-1095752",
"created_at": "2022-09-04T14:39:18.644312Z",
"structure_string": "Cs1 K1 Au2\n1.0\n-6.401265 6.568227 9.312422\n6.401265 -6.568227 9.312422\n6.401265 6.568227 -9.312422\nCs K Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 K\n0.000000 0.240059 0.240059 Au\n0.000000 0.759941 0.759941 Au\n",
"nsites": 4,
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"elements": [
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"K",
"Au"
],
"chemical_system": "Au-Cs-K",
"density": 0.600040413327613,
"density_atomic": 0.002554014694207142,
"volume": 1566.1617018385023,
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"formula_full": "Cs1 K1 Au2",
"formula_reduced": "CsKAu2",
"formula_anonymous": "ABC2",
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"band_gap": 2.9062,
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"total_magnetization": 1.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.075000Z",
"spacegroup": 71
},
{
"id": "mp-1096135",
"created_at": "2022-09-04T14:39:26.003014Z",
"structure_string": "Ca1 Y1 Pb2\n1.0\n-5.993441 6.657145 9.424657\n5.993441 -6.657145 9.424657\n5.993441 6.657145 -9.424657\nCa Y Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.255033 0.255033 Pb\n0.000000 0.744967 0.744967 Pb\n",
"nsites": 4,
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"density": 0.5998822728326675,
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"volume": 1504.145316419788,
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"formula_full": "Ca1 Y1 Pb2",
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"band_gap": 0.0521000000000002,
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"updated_at": "2021-11-28T01:34:30.141000Z",
"spacegroup": 71
},
{
"id": "mp-1096200",
"created_at": "2022-09-04T14:41:01.875578Z",
"structure_string": "Ba2 Hg1 Pd1\n1.0\n-6.330984 6.524784 9.746266\n6.330984 -6.524784 9.746266\n6.330984 6.524784 -9.746266\nBa Hg Pd\n2 1 1\ndirect\n0.000000 0.224251 0.224251 Ba\n0.000000 0.775749 0.775749 Ba\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"Hg",
"Pd"
],
"chemical_system": "Ba-Hg-Pd",
"density": 0.5997712946931879,
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"volume": 1610.4068403755712,
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"formula_full": "Ba2 Hg1 Pd1",
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"updated_at": "2021-11-28T01:35:11.021000Z",
"spacegroup": 71
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{
"id": "mp-1120743",
"created_at": "2022-09-04T14:43:57.868508Z",
"structure_string": "P4\n1.0\n4.148696 -5.785817 0.000000\n4.148696 5.785817 0.000000\n0.000000 0.000000 7.155529\nP\n4\ndirect\n0.394198 0.394198 0.448684 P\n0.894198 0.894198 0.051316 P\n0.605802 0.605802 0.551316 P\n0.105802 0.105802 0.948684 P\n",
"nsites": 4,
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"elements": [
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"formula_full": "P4",
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"updated_at": "2021-11-28T01:36:21.394000Z",
"spacegroup": 64
},
{
"id": "mp-1097656",
"created_at": "2022-09-04T14:40:57.164901Z",
"structure_string": "Ca1 La1 Pd2\n1.0\n-5.481465 5.945296 8.334516\n5.481465 -5.945296 8.334516\n5.481465 5.945296 -8.334516\nCa La Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 La\n0.000000 0.279140 0.279140 Pd\n0.000000 0.720860 0.720860 Pd\n",
"nsites": 4,
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"elements": [
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"formula_full": "Ca1 La1 Pd2",
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"updated_at": "2021-11-28T01:35:01.578000Z",
"spacegroup": 71
},
{
"id": "mp-1096338",
"created_at": "2022-09-04T14:48:26.039636Z",
"structure_string": "Na1 Li1 Hg2\n1.0\n-5.910205 5.980608 8.459492\n5.910205 -5.980608 8.459492\n5.910205 5.980608 -8.459492\nNa Li Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Li\n0.000000 0.233214 0.233214 Hg\n0.000000 0.766786 0.766786 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.5985298458138731,
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"volume": 1196.0577729385905,
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"formula_full": "Na1 Li1 Hg2",
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"formula_anonymous": "ABC2",
"energy": -2.08205359,
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"updated_at": "2021-11-28T01:39:13.688000Z",
"spacegroup": 71
}
]
}