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{
"id": "mp-1093839",
"created_at": "2022-09-04T14:48:04.572816Z",
"structure_string": "Y2 In1 Pb1\n1.0\n-5.942477 7.046245 9.815445\n5.942477 -7.046245 9.815445\n5.942477 7.046245 -9.815445\nY In Pb\n2 1 1\ndirect\n0.000000 0.258187 0.258187 Y\n0.000000 0.741813 0.741813 Y\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pb\n",
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{
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{
"id": "mp-1097506",
"created_at": "2022-09-04T14:48:10.455936Z",
"structure_string": "Li1 Cd1 In2\n1.0\n-5.700812 5.964056 8.443478\n5.700812 -5.964056 8.443478\n5.700812 5.964056 -8.443478\nLi Cd In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Cd\n0.000000 0.248840 0.248840 In\n0.000000 0.751160 0.751160 In\n",
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"formula_full": "Li1 Cd1 In2",
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"updated_at": "2021-11-28T01:38:28.392000Z",
"spacegroup": 71
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{
"id": "mp-1093567",
"created_at": "2022-09-04T14:43:14.473717Z",
"structure_string": "Y2 Cd1 Pd1\n1.0\n-5.803976 6.300111 8.924080\n5.803976 -6.300111 8.924080\n5.803976 6.300111 -8.924080\nY Cd Pd\n2 1 1\ndirect\n0.000000 0.217925 0.217925 Y\n0.000000 0.782075 0.782075 Y\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"density": 0.504604719204333,
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"volume": 1305.260679825303,
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"formula_full": "Y2 Cd1 Pd1",
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"updated_at": "2021-11-28T01:36:16.003000Z",
"spacegroup": 71
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{
"id": "mp-1097236",
"created_at": "2022-09-04T14:43:15.501475Z",
"structure_string": "Li2 Sn1 Pb1\n1.0\n-5.601537 5.935772 8.408825\n5.601537 -5.935772 8.408825\n5.601537 5.935772 -8.408825\nLi Sn Pb\n2 1 1\ndirect\n0.000000 0.247780 0.247780 Li\n0.000000 0.752220 0.752220 Li\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Pb\n",
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"formula_full": "Li2 Sn1 Pb1",
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"updated_at": "2021-11-28T01:36:09.885000Z",
"spacegroup": 71
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{
"id": "mp-1192792",
"created_at": "2022-09-04T14:40:23.776884Z",
"structure_string": "Sr4 Ru4 O12\n1.0\n13.159769 0.000000 0.000000\n0.000000 13.167603 0.000000\n0.000000 0.000000 17.986770\nSr Ru O\n4 4 12\ndirect\n0.504777 0.510503 0.250000 Sr\n0.995223 0.010503 0.250000 Sr\n0.495223 0.489497 0.750000 Sr\n0.004777 0.989497 0.750000 Sr\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n0.957749 0.976534 0.002191 O\n0.542251 0.476534 0.497809 O\n0.042251 0.023466 0.502191 O\n0.457749 0.523466 0.997809 O\n0.042251 0.023466 0.997809 O\n0.457749 0.523466 0.502191 O\n0.957749 0.976534 0.497809 O\n0.542251 0.476534 0.002191 O\n0.558422 0.994022 0.250000 O\n0.941578 0.494022 0.250000 O\n0.441578 0.005978 0.750000 O\n0.058422 0.505978 0.750000 O\n",
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"elements": [
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"density": 0.5044028412354403,
"density_atomic": 0.006416849067071105,
"volume": 3116.7945187666323,
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"formula_full": "Sr4 Ru4 O12",
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"updated_at": "2021-11-28T01:34:54.111000Z",
"spacegroup": 62
},
{
"id": "mp-1213437",
"created_at": "2022-09-04T14:43:14.686792Z",
"structure_string": "Na1 Tl3 O6\n1.0\n4.837010 -6.833503 0.000000\n4.837010 6.833503 0.000000\n0.000000 0.000000 36.471203\nNa Tl O\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Tl\n0.500000 0.000000 0.000000 Tl\n0.000000 0.500000 0.000000 Tl\n0.000000 0.000000 0.244112 O\n0.000000 0.000000 0.755888 O\n0.282034 0.027815 0.000000 O\n0.717966 0.972185 0.000000 O\n0.027815 0.282034 0.000000 O\n0.972185 0.717966 0.000000 O\n",
"nsites": 10,
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],
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"density": 0.5042436544934279,
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"volume": 2411.018035175393,
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"formula_full": "Na1 Tl3 O6",
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"formula_anonymous": "AB3C6",
"energy": -35.945375760000005,
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"spacegroup": 65
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{
"id": "mp-1093962",
"created_at": "2022-09-04T14:39:32.803239Z",
"structure_string": "Nb2 Tc1 Ni1\n1.0\n-4.670366 6.442851 9.372983\n4.670366 -6.442851 9.372983\n4.670366 6.442851 -9.372983\nNb Tc Ni\n2 1 1\ndirect\n0.000000 0.254978 0.254978 Nb\n0.000000 0.745022 0.745022 Nb\n0.000000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
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"density": 0.50413942267771,
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"volume": 1128.149939574834,
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"formula_full": "Nb2 Tc1 Ni1",
"formula_reduced": "Nb2TcNi",
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"spacegroup": 71
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{
"id": "mp-1093824",
"created_at": "2022-09-04T14:39:11.522375Z",
"structure_string": "Ba2 Ag1 Pd1\n1.0\n-6.174833 6.793814 9.603085\n6.174833 -6.793814 9.603085\n6.174833 6.793814 -9.603085\nBa Ag Pd\n2 1 1\ndirect\n0.000000 0.230742 0.230742 Ba\n0.000000 0.769258 0.769258 Ba\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n",
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"volume": 1611.4232795389178,
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"formula_full": "Ba2 Ag1 Pd1",
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{
"id": "mp-1097176",
"created_at": "2022-09-04T14:46:52.215564Z",
"structure_string": "Sr1 Li1 Tl2\n1.0\n-6.168236 6.889960 9.761463\n6.168236 -6.889960 9.761463\n6.168236 6.889960 -9.761463\nSr Li Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Li\n0.000000 0.222286 0.222286 Tl\n0.000000 0.777714 0.777714 Tl\n",
"nsites": 4,
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"formula_full": "Sr1 Li1 Tl2",
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{
"id": "mp-1096085",
"created_at": "2022-09-04T14:45:58.902456Z",
"structure_string": "Mn1 Be1 Co2\n1.0\n-4.548336 4.758656 6.927035\n4.548336 -4.758656 6.927035\n4.548336 4.758656 -6.927035\nMn Be Co\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Be\n0.000000 0.233853 0.233853 Co\n0.000000 0.766147 0.766147 Co\n",
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"volume": 599.7140510671901,
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"formula_full": "Mn1 Be1 Co2",
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"spacegroup": 71
},
{
"id": "mp-1096260",
"created_at": "2022-09-04T14:46:05.069323Z",
"structure_string": "Li2 In1 Pb1\n1.0\n-5.742488 5.819797 8.290064\n5.742488 -5.819797 8.290064\n5.742488 5.819797 -8.290064\nLi In Pb\n2 1 1\ndirect\n0.000000 0.256150 0.256150 Li\n0.000000 0.743850 0.743850 Li\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pb\n",
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"density": 0.503307374756521,
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"volume": 1108.219550211773,
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"formula_full": "Li2 In1 Pb1",
"formula_reduced": "Li2InPb",
"formula_anonymous": "ABC2",
"energy": -5.87968155,
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"updated_at": "2021-11-28T01:37:25.249000Z",
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}
]
}