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{
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{
"id": "mp-1096382",
"created_at": "2022-09-04T14:44:17.422243Z",
"structure_string": "Ba1 Sn1 Hg2\n1.0\n-6.326122 6.832293 9.645272\n6.326122 -6.832293 9.645272\n6.326122 6.832293 -9.645272\nBa Sn Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sn\n0.000000 0.228515 0.228515 Hg\n0.000000 0.771485 0.771485 Hg\n",
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{
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"updated_at": "2021-11-28T01:38:07.112000Z",
"spacegroup": 135
},
{
"id": "mp-1093912",
"created_at": "2022-09-04T14:47:43.942060Z",
"structure_string": "Ca1 Hg2 Bi1\n1.0\n-5.832317 6.324067 8.886011\n5.832317 -6.324067 8.886011\n5.832317 6.324067 -8.886011\nCa Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.254806 0.254806 Hg\n0.000000 0.745194 0.745194 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"Bi"
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"density": 0.8236018048195557,
"density_atomic": 0.003051093876047571,
"volume": 1311.0052205871998,
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"formula_full": "Ca1 Hg2 Bi1",
"formula_reduced": "CaHg2Bi",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:20.993000Z",
"spacegroup": 71
},
{
"id": "mp-1096555",
"created_at": "2022-09-04T14:45:19.633861Z",
"structure_string": "Ba2 Cd1 Ga1\n1.0\n-6.975542 6.977127 9.839568\n6.975542 -6.977127 9.839568\n6.975542 6.977127 -9.839568\nBa Cd Ga\n2 1 1\ndirect\n0.000000 0.229714 0.229714 Ba\n0.000000 0.770286 0.770286 Ba\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"Cd",
"Ga"
],
"chemical_system": "Ba-Cd-Ga",
"density": 0.395979930266193,
"density_atomic": 0.0020881869742831087,
"volume": 1915.5372815086312,
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"formula_full": "Ba2 Cd1 Ga1",
"formula_reduced": "Ba2CdGa",
"formula_anonymous": "ABC2",
"energy": -3.34755636,
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"updated_at": "2021-11-28T01:37:04.578000Z",
"spacegroup": 71
},
{
"id": "mp-1097210",
"created_at": "2022-09-04T14:48:26.280231Z",
"structure_string": "La1 Cd2 In1\n1.0\n-6.597478 7.534685 10.225967\n6.597478 -7.534685 10.225967\n6.597478 7.534685 -10.225967\nLa Cd In\n1 2 1\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.242663 0.242663 Cd\n0.000000 0.757337 0.757337 Cd\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"elements": [
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"density": 0.39080928868042775,
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"volume": 2033.3279456140394,
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"formula_full": "La1 Cd2 In1",
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"updated_at": "2021-11-28T01:39:19.846000Z",
"spacegroup": 71
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{
"id": "mp-1093931",
"created_at": "2022-09-04T14:41:00.215002Z",
"structure_string": "Ba2 Cd1 Ag1\n1.0\n-6.961103 7.128764 9.828739\n6.961103 -7.128764 9.828739\n6.961103 7.128764 -9.828739\nBa Cd Ag\n2 1 1\ndirect\n0.766302 0.000000 0.766302 Ba\n0.233698 0.000000 0.233698 Ba\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
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"Cd",
"Ag"
],
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"density": 0.4212555088935082,
"density_atomic": 0.0020502645378073833,
"volume": 1950.9677537893353,
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"formula_full": "Ba2 Cd1 Ag1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.348000Z",
"spacegroup": 71
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{
"id": "mp-1185876",
"created_at": "2022-09-04T14:46:55.181772Z",
"structure_string": "Mg2 Hg4\n1.0\n1.752089 -7.847085 0.000000\n1.752089 7.847085 0.000000\n0.000000 0.000000 5.046328\nMg Hg\n2 4\ndirect\n0.608468 0.391532 0.250000 Mg\n0.391532 0.608468 0.750000 Mg\n0.272160 0.727840 0.250000 Hg\n0.942913 0.057087 0.250000 Hg\n0.727840 0.272160 0.750000 Hg\n0.057087 0.942913 0.750000 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.183412974600557,
"density_atomic": 0.0432395593532894,
"volume": 138.7618211133217,
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"formula_full": "Mg2 Hg4",
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"updated_at": "2021-11-28T01:37:44.617000Z",
"spacegroup": 63
},
{
"id": "mp-1097501",
"created_at": "2022-09-04T14:39:13.697313Z",
"structure_string": "Na1 Cd2 Ag1\n1.0\n-5.851366 6.356006 8.977754\n5.851366 -6.356006 8.977754\n5.851366 6.356006 -8.977754\nNa Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.261983 0.261983 Cd\n0.000000 0.738017 0.738017 Cd\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"density": 0.4422208861550998,
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"volume": 1335.5779943631608,
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"formula_full": "Na1 Cd2 Ag1",
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"updated_at": "2021-11-28T01:34:31.156000Z",
"spacegroup": 71
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{
"id": "mp-1007976",
"created_at": "2022-09-04T14:43:52.654815Z",
"structure_string": "Cs4\n1.0\n5.443964 0.000000 0.000000\n0.000000 8.237741 0.000000\n0.000000 0.000000 10.367185\nCs\n4\ndirect\n0.839231 0.750000 0.868113 Cs\n0.660769 0.750000 0.368113 Cs\n0.160769 0.250000 0.131887 Cs\n0.339231 0.250000 0.631887 Cs\n",
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"volume": 464.92642027528126,
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"formula_full": "Cs4",
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"updated_at": "2021-11-28T01:36:28.015000Z",
"spacegroup": 62
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{
"id": "mp-573579",
"created_at": "2022-09-04T14:41:31.125175Z",
"structure_string": "Cs8\n1.0\n5.218458 -8.685105 0.000000\n5.218458 8.685105 0.000000\n0.000000 0.000000 10.441750\nCs\n8\ndirect\n0.675827 0.675827 0.176411 Cs\n0.783385 0.216615 0.000000 Cs\n0.283385 0.716615 0.500000 Cs\n0.324173 0.324173 0.823589 Cs\n0.824173 0.824173 0.676411 Cs\n0.216615 0.783385 0.000000 Cs\n0.175827 0.175827 0.323589 Cs\n0.716615 0.283385 0.500000 Cs\n",
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{
"id": "mp-1185877",
"created_at": "2022-09-04T14:39:48.028062Z",
"structure_string": "Mg2 Hg4\n1.0\n1.644471 6.689089 0.000000\n-1.644471 6.689089 0.000000\n0.000000 2.531245 6.375566\nMg Hg\n2 4\ndirect\n0.139081 0.139081 0.465357 Mg\n0.860919 0.860919 0.534643 Mg\n0.197550 0.197550 0.844764 Hg\n0.802450 0.802450 0.155236 Hg\n0.527933 0.527933 0.210128 Hg\n0.472067 0.472067 0.789872 Hg\n",
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{
"id": "mp-1184725",
"created_at": "2022-09-04T14:41:16.569570Z",
"structure_string": "Hg6 B2\n1.0\n6.163352 -0.038691 0.000000\n-3.115177 5.305638 0.000000\n0.000000 0.000000 5.172233\nHg B\n6 2\ndirect\n0.170996 0.341447 0.250001 Hg\n0.658602 0.829008 0.250001 Hg\n0.170577 0.829345 0.250001 Hg\n0.828987 0.658543 0.750001 Hg\n0.341416 0.171027 0.750001 Hg\n0.829346 0.170736 0.750001 Hg\n0.333932 0.665715 0.750001 B\n0.666145 0.334183 0.250001 B\n",
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"formula_full": "Hg6 B2",
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"energy": -6.738413,
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"updated_at": "2021-11-28T01:35:10.089000Z",
"spacegroup": 194
}
]
}