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{
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{
"id": "mp-1096561",
"created_at": "2022-09-04T14:45:40.047976Z",
"structure_string": "Zr2 Cu1 Tc1\n1.0\n-4.961472 5.539035 8.024298\n4.961472 -5.539035 8.024298\n4.961472 5.539035 -8.024298\nZr Cu Tc\n2 1 1\ndirect\n0.000000 0.270657 0.270657 Zr\n0.000000 0.729343 0.729343 Zr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Tc\n",
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{
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"spacegroup": 71
},
{
"id": "mp-1096523",
"created_at": "2022-09-04T14:45:04.715065Z",
"structure_string": "Nb2 Co1 Re1\n1.0\n4.866400 9.735294 0.000000\n-4.866400 9.735294 0.000000\n0.000000 6.279113 9.306480\nNb Co Re\n2 1 1\ndirect\n0.266762 0.733238 0.000000 Nb\n0.768307 0.231693 0.000000 Nb\n0.982235 0.017765 0.000000 Co\n0.482566 0.517434 0.000000 Re\n",
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"elements": [
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"chemical_system": "Co-Nb-Re",
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"density_atomic": 0.004536152769145024,
"volume": 881.8045166397519,
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"formula_full": "Nb2 Co1 Re1",
"formula_reduced": "Nb2CoRe",
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"energy": -23.45961579,
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"updated_at": "2021-11-28T01:36:45.886000Z",
"spacegroup": 5
},
{
"id": "mp-1097402",
"created_at": "2022-09-04T14:40:16.902477Z",
"structure_string": "Zr1 Sc1 Tc2\n1.0\n-4.799646 5.760405 7.972611\n4.799646 -5.760405 7.972611\n4.799646 5.760405 -7.972611\nZr Sc Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sc\n0.000000 0.253958 0.253958 Tc\n0.000000 0.746042 0.746042 Tc\n",
"nsites": 4,
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"elements": [
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"Sc",
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],
"chemical_system": "Sc-Tc-Zr",
"density": 0.6256042230382435,
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"volume": 881.7039602720693,
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"formula_full": "Zr1 Sc1 Tc2",
"formula_reduced": "ZrScTc2",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:52.027000Z",
"spacegroup": 71
},
{
"id": "mp-1096581",
"created_at": "2022-09-04T14:45:01.731757Z",
"structure_string": "Hf2 Mo1 Pt1\n1.0\n-4.950900 5.607069 7.938722\n4.950900 -5.607069 7.938722\n4.950900 5.607069 -7.938722\nHf Mo Pt\n2 1 1\ndirect\n0.000000 0.243862 0.243862 Hf\n0.000000 0.756138 0.756138 Hf\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"density": 1.2206640209525865,
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"volume": 881.5168947744894,
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"formula_full": "Hf2 Mo1 Pt1",
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"energy": -24.04587777,
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"updated_at": "2021-11-28T01:36:50.985000Z",
"spacegroup": 71
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{
"id": "mp-1095834",
"created_at": "2022-09-04T14:46:15.113739Z",
"structure_string": "Mg2 Ir1 Pt1\n1.0\n-4.991930 5.583089 7.900957\n4.991930 -5.583089 7.900957\n4.991930 5.583089 -7.900957\nMg Ir Pt\n2 1 1\ndirect\n0.000000 0.253313 0.253313 Mg\n0.000000 0.746687 0.746687 Mg\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Pt\n",
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"elements": [
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"Pt"
],
"chemical_system": "Ir-Mg-Pt",
"density": 0.8217963320611666,
"density_atomic": 0.0045412693778631935,
"volume": 880.81099515883,
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"formula_full": "Mg2 Ir1 Pt1",
"formula_reduced": "Mg2IrPt",
"formula_anonymous": "ABC2",
"energy": -9.76744846,
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"band_gap": 0.2662999999999997,
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"updated_at": "2021-11-28T01:37:29.421000Z",
"spacegroup": 71
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{
"id": "mp-1095729",
"created_at": "2022-09-04T14:40:42.731945Z",
"structure_string": "Hf1 Nb1 Re2\n1.0\n-4.815865 5.700549 8.015087\n4.815865 -5.700549 8.015087\n4.815865 5.700549 -8.015087\nHf Nb Re\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Nb\n0.000000 0.245302 0.245302 Re\n0.000000 0.754698 0.754698 Re\n",
"nsites": 4,
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"Nb",
"Re"
],
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"density": 1.2146407651217104,
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"volume": 880.1551192508076,
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"formula_full": "Hf1 Nb1 Re2",
"formula_reduced": "HfNbRe2",
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"energy": -27.14398111,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:06.526000Z",
"spacegroup": 71
},
{
"id": "mp-1096663",
"created_at": "2022-09-04T14:40:57.619284Z",
"structure_string": "Zr1 Al1 Tc2\n1.0\n-4.844429 5.665128 8.014959\n4.844429 -5.665128 8.014959\n4.844429 5.665128 -8.014959\nZr Al Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Al\n0.000000 0.259005 0.259005 Tc\n0.000000 0.740995 0.740995 Tc\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.5929926563563411,
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"volume": 879.8600896565977,
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"formula_full": "Zr1 Al1 Tc2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:00.268000Z",
"spacegroup": 71
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{
"id": "mp-1096175",
"created_at": "2022-09-04T14:42:44.945016Z",
"structure_string": "Cd1 Pd2 Pt1\n1.0\n-5.091117 5.557469 7.773928\n5.091117 -5.557469 7.773928\n5.091117 5.557469 -7.773928\nCd Pd Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.260615 0.260615 Pd\n0.000000 0.739385 0.739385 Pd\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"density": 0.9820678753038969,
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"volume": 879.8135209869668,
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"formula_full": "Cd1 Pd2 Pt1",
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"updated_at": "2021-11-28T01:35:57.149000Z",
"spacegroup": 71
},
{
"id": "mp-1095989",
"created_at": "2022-09-04T14:42:20.502393Z",
"structure_string": "Zn1 In1 Ir2\n1.0\n-5.062151 5.543081 7.836821\n5.062151 -5.543081 7.836821\n5.062151 5.543081 -7.836821\nZn In Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 In\n0.000000 0.246901 0.246901 Ir\n0.000000 0.753099 0.753099 Ir\n",
"nsites": 4,
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"density": 1.065983914394973,
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"volume": 879.6020626799097,
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"formula_full": "Zn1 In1 Ir2",
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"updated_at": "2021-11-28T01:35:46.117000Z",
"spacegroup": 71
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{
"id": "mp-1096064",
"created_at": "2022-09-04T14:39:13.368656Z",
"structure_string": "Zr1 Zn1 Pd2\n1.0\n-4.924554 5.617689 7.945197\n4.924554 -5.617689 7.945197\n4.924554 5.617689 -7.945197\nZr Zn Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.261111 0.261111 Pd\n0.000000 0.738889 0.738889 Pd\n",
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{
"id": "mp-1097080",
"created_at": "2022-09-04T14:42:50.453973Z",
"structure_string": "Hf2 Zn1 Tc1\n1.0\n-5.184612 5.477951 7.734362\n5.184612 -5.477951 7.734362\n5.184612 5.477951 -7.734362\nHf Zn Tc\n2 1 1\ndirect\n0.000000 0.285124 0.285124 Hf\n0.000000 0.714876 0.714876 Hf\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Tc\n",
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"volume": 878.6560226801208,
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"updated_at": "2021-11-28T01:35:52.463000Z",
"spacegroup": 71
}
]
}