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{
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{
"id": "mp-1097229",
"created_at": "2022-09-04T14:39:07.267290Z",
"structure_string": "Na1 In2 Bi1\n1.0\n-5.821235 6.230850 8.784592\n5.821235 -6.230850 8.784592\n5.821235 6.230850 -8.784592\nNa In Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.265912 0.265912 In\n0.000000 0.734088 0.734088 In\n0.000000 0.500000 0.500000 Bi\n",
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{
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"spacegroup": 71
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{
"id": "mp-1097291",
"created_at": "2022-09-04T14:44:03.888026Z",
"structure_string": "Y2 Ga1 Hg1\n1.0\n-5.931153 6.156468 8.705019\n5.931153 -6.156468 8.705019\n5.931153 6.156468 -8.705019\nY Ga Hg\n2 1 1\ndirect\n0.000000 0.230030 0.230030 Y\n0.000000 0.769970 0.769970 Y\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n",
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"chemical_system": "Ga-Hg-Y",
"density": 0.5852582055088911,
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"volume": 1271.4534611460485,
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"formula_full": "Y2 Ga1 Hg1",
"formula_reduced": "Y2GaHg",
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"energy_uncorrected": -8.85772533,
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"updated_at": "2021-11-28T01:36:24.936000Z",
"spacegroup": 71
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{
"id": "mp-1097474",
"created_at": "2022-09-04T14:48:09.542143Z",
"structure_string": "Na1 Cd2 Pd1\n1.0\n-5.672306 6.303934 8.884941\n5.672306 -6.303934 8.884941\n5.672306 6.303934 -8.884941\nNa Cd Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.269339 0.269339 Cd\n0.000000 0.730661 0.730661 Cd\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-Na-Pd",
"density": 0.4628611789633185,
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"formula_full": "Na1 Cd2 Pd1",
"formula_reduced": "NaCd2Pd",
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"energy": -5.00708211,
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"updated_at": "2021-11-28T01:38:29.735000Z",
"spacegroup": 71
},
{
"id": "mp-1096226",
"created_at": "2022-09-04T14:48:15.244882Z",
"structure_string": "Y2 Tc1 Pb1\n1.0\n-5.365884 6.620599 8.942662\n5.365884 -6.620599 8.942662\n5.365884 6.620599 -8.942662\nY Tc Pb\n2 1 1\ndirect\n0.000000 0.223263 0.223263 Y\n0.000000 0.776737 0.776737 Y\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 0.6311627746366772,
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"volume": 1270.7653710036639,
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"formula_full": "Y2 Tc1 Pb1",
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"updated_at": "2021-11-28T01:38:41.773000Z",
"spacegroup": 71
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{
"id": "mp-1097154",
"created_at": "2022-09-04T14:45:37.122359Z",
"structure_string": "Y2 Hg1 Au1\n1.0\n-5.895008 6.173001 8.726536\n5.895008 -6.173001 8.726536\n5.895008 6.173001 -8.726536\nY Hg Au\n2 1 1\ndirect\n0.000000 0.240768 0.240768 Y\n0.000000 0.759232 0.759232 Y\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
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"elements": [
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"Au"
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"density": 0.7521637215825507,
"density_atomic": 0.003149034141471514,
"volume": 1270.2307502232534,
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"formula_full": "Y2 Hg1 Au1",
"formula_reduced": "Y2HgAu",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -9.89440975,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.288000Z",
"spacegroup": 71
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{
"id": "mp-1097426",
"created_at": "2022-09-04T14:47:57.086679Z",
"structure_string": "Ca2 Hg1 Pd1\n1.0\n-5.913170 6.169882 8.703055\n5.913170 -6.169882 8.703055\n5.913170 6.169882 -8.703055\nCa Hg Pd\n2 1 1\ndirect\n0.000000 0.217905 0.217905 Ca\n0.000000 0.782095 0.782095 Ca\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"
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"density": 0.5061944353372881,
"density_atomic": 0.0031494233921194733,
"volume": 1270.0737569959156,
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"formula_full": "Ca2 Hg1 Pd1",
"formula_reduced": "Ca2HgPd",
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"updated_at": "2021-11-28T01:38:19.081000Z",
"spacegroup": 71
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{
"id": "mp-1096147",
"created_at": "2022-09-04T14:45:15.245209Z",
"structure_string": "V1 In1 Ru2\n1.0\n-4.760359 5.754990 11.586303\n4.760359 -5.754990 11.586303\n4.760359 5.754990 -11.586303\nV In Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 In\n0.000000 0.212350 0.212350 Ru\n0.000000 0.787650 0.787650 Ru\n",
"nsites": 4,
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"In",
"Ru"
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"density": 0.48115958603107417,
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"volume": 1269.665013580656,
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"formula_full": "V1 In1 Ru2",
"formula_reduced": "VInRu2",
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"updated_at": "2021-11-28T01:37:00.703000Z",
"spacegroup": 71
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{
"id": "mp-1096707",
"created_at": "2022-09-04T14:43:36.146734Z",
"structure_string": "Y2 Hg1 Pt1\n1.0\n-5.714323 6.244516 8.879777\n5.714323 -6.244516 8.879777\n5.714323 6.244516 -8.879777\nY Hg Pt\n2 1 1\ndirect\n0.000000 0.220799 0.220799 Y\n0.000000 0.779201 0.779201 Y\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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],
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"density": 0.7513565419719944,
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"volume": 1267.4347740249564,
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"formula_full": "Y2 Hg1 Pt1",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:15.732000Z",
"spacegroup": 71
},
{
"id": "mp-1093705",
"created_at": "2022-09-04T14:42:47.106344Z",
"structure_string": "K2 Hg1 Se1\n1.0\n-6.365558 6.783296 7.330611\n6.365558 -6.783296 7.330611\n6.365558 6.783296 -7.330611\nK Hg Se\n2 1 1\ndirect\n0.209359 0.000000 0.209359 K\n0.790641 0.000000 0.790641 K\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
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"elements": [
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"density": 0.46918832695965723,
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"volume": 1266.127418584313,
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"formula_full": "K2 Hg1 Se1",
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"updated_at": "2021-11-28T01:35:50.179000Z",
"spacegroup": 71
},
{
"id": "mp-1095780",
"created_at": "2022-09-04T14:44:52.497276Z",
"structure_string": "La2 Zn1 Hg1\n1.0\n-6.060998 6.181054 8.445720\n6.060998 -6.181054 8.445720\n6.060998 6.181054 -8.445720\nLa Zn Hg\n2 1 1\ndirect\n0.000000 0.242658 0.242658 La\n0.000000 0.757342 0.757342 La\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Hg\n",
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"volume": 1265.6200578443954,
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"formula_full": "La2 Zn1 Hg1",
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"updated_at": "2021-11-28T01:36:39.167000Z",
"spacegroup": 71
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{
"id": "mp-1095949",
"created_at": "2022-09-04T14:47:17.848030Z",
"structure_string": "Ti1 Cd1 Au2\n1.0\n-5.480397 6.379191 9.050273\n5.480397 -6.379191 9.050273\n5.480397 6.379191 -9.050273\nTi Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Cd\n0.000000 0.230258 0.230258 Au\n0.000000 0.769742 0.769742 Au\n",
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"volume": 1265.6082485866843,
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"formula_full": "Ti1 Cd1 Au2",
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"updated_at": "2021-11-28T01:38:01.970000Z",
"spacegroup": 71
}
]
}