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{
"id": "mp-1097479",
"created_at": "2022-09-04T14:48:17.156732Z",
"structure_string": "Ca1 Y1 Zn2\n1.0\n-6.182236 6.206978 8.377643\n6.182236 -6.206978 8.377643\n6.182236 6.206978 -8.377643\nCa Y Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.255830 0.255830 Zn\n0.000000 0.744170 0.744170 Zn\n",
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{
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{
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"structure_string": "K29\n1.0\n-8.163698 8.163698 8.163698\n8.163698 -8.163698 8.163698\n8.163698 8.163698 -8.163698\nK\n29\ndirect\n0.000000 0.000000 0.000000 K\n0.634598 0.000000 0.000000 K\n0.373248 0.189882 0.000000 K\n0.189882 0.373248 0.000000 K\n0.682000 0.403644 0.000000 K\n0.000000 0.634598 0.000000 K\n0.403644 0.682000 0.000000 K\n0.810118 0.810118 0.183366 K\n0.373248 0.000000 0.189882 K\n0.000000 0.373248 0.189882 K\n0.596356 0.596356 0.278355 K\n0.721645 0.318000 0.318000 K\n0.318000 0.721645 0.318000 K\n0.365402 0.365402 0.365402 K\n0.189882 0.000000 0.373248 K\n0.000000 0.189882 0.373248 K\n0.682000 0.000000 0.403644 K\n0.000000 0.682000 0.403644 K\n0.596356 0.278355 0.596356 K\n0.278355 0.596356 0.596356 K\n0.816634 0.626752 0.626752 K\n0.626752 0.816634 0.626752 K\n0.000000 0.000000 0.634598 K\n0.403644 0.000000 0.682000 K\n0.000000 0.403644 0.682000 K\n0.318000 0.318000 0.721645 K\n0.810118 0.183366 0.810118 K\n0.183366 0.810118 0.810118 K\n0.626752 0.626752 0.816634 K\n",
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{
"id": "mp-1097591",
"created_at": "2022-09-04T14:43:17.155919Z",
"structure_string": "Mg2 In1 Ag1\n1.0\n-5.547087 5.964026 8.437897\n5.547087 -5.964026 8.437897\n5.547087 5.964026 -8.437897\nMg In Ag\n2 1 1\ndirect\n0.000000 0.237919 0.237919 Mg\n0.000000 0.762081 0.762081 Mg\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ag\n",
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"density": 0.4034540614051749,
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"formula_full": "Mg2 In1 Ag1",
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{
"id": "mp-1080094",
"created_at": "2022-09-04T14:46:30.974696Z",
"structure_string": "Sr2 Hg6\n1.0\n3.407478 -6.276931 0.000000\n3.407478 6.276931 0.000000\n0.000000 0.000000 5.337114\nSr Hg\n2 6\ndirect\n0.666086 0.333914 0.250000 Sr\n0.333914 0.666086 0.750000 Sr\n0.689779 0.845341 0.250000 Hg\n0.157187 0.842813 0.250000 Hg\n0.154659 0.310221 0.250000 Hg\n0.310221 0.154659 0.750000 Hg\n0.842813 0.157187 0.750000 Hg\n0.845341 0.689779 0.750000 Hg\n",
"nsites": 8,
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"volume": 228.30577137063023,
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"formula_full": "Sr2 Hg6",
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"spacegroup": 63
},
{
"id": "mp-1097241",
"created_at": "2022-09-04T14:46:51.982556Z",
"structure_string": "Mg2 Hg1 Au1\n1.0\n-5.447963 5.777092 8.165628\n5.447963 -5.777092 8.165628\n5.447963 5.777092 -8.165628\nMg Hg Au\n2 1 1\ndirect\n0.000000 0.238461 0.238461 Mg\n0.000000 0.761539 0.761539 Mg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
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"volume": 1027.9997650603057,
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"formula_full": "Mg2 Hg1 Au1",
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{
"id": "mp-1097452",
"created_at": "2022-09-04T14:42:49.357573Z",
"structure_string": "Ca1 Hg2 Pd1\n1.0\n-5.862039 6.318498 8.920192\n5.862039 -6.318498 8.920192\n5.862039 6.318498 -8.920192\nCa Hg Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.273588 0.273588 Hg\n0.000000 0.726412 0.726412 Hg\n0.000000 0.500000 0.500000 Pd\n",
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"volume": 1321.5900171323606,
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"formula_full": "Ca1 Hg2 Pd1",
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{
"id": "mp-974950",
"created_at": "2022-09-04T14:46:35.200597Z",
"structure_string": "Rb3 Li1\n1.0\n0.000000 5.149709 5.149709\n5.149709 0.000000 5.149709\n5.149709 5.149709 0.000000\nRb Li\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
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"elements": [
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"density": 1.6010139776639574,
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"volume": 273.13544433159353,
"volume_molar": 41.12150230775001,
"formula_full": "Rb3 Li1",
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"energy": -4.27645016,
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{
"id": "mp-1096445",
"created_at": "2022-09-04T14:39:41.032459Z",
"structure_string": "Cs1 Rb2 Bi1\n1.0\n-7.756910 8.343144 11.143662\n7.756910 -8.343144 11.143662\n7.756910 8.343144 -11.143662\nCs Rb Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.285202 0.000000 0.285202 Rb\n0.714798 0.000000 0.714798 Rb\n0.500000 0.000000 0.500000 Bi\n",
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"formula_full": "Cs1 Rb2 Bi1",
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{
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"created_at": "2022-09-04T14:47:05.734485Z",
"structure_string": "Li1 Ca2 Ag1\n1.0\n-6.266142 6.387362 8.858483\n6.266142 -6.387362 8.858483\n6.266142 6.387362 -8.858483\nLi Ca Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.265457 0.000000 0.265457 Ca\n0.734543 0.000000 0.734543 Ca\n0.500000 0.000000 0.500000 Ag\n",
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{
"id": "mp-974938",
"created_at": "2022-09-04T14:47:18.362973Z",
"structure_string": "Rb3 Li1\n1.0\n6.545835 0.000000 0.000000\n0.000000 6.545835 0.000000\n0.000000 0.000000 6.545835\nRb Li\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Li\n",
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},
{
"id": "mp-1093602",
"created_at": "2022-09-04T14:39:59.541302Z",
"structure_string": "Ba2 Zn1 Pb1\n1.0\n-6.276325 7.189133 10.167398\n6.276325 -7.189133 10.167398\n6.276325 7.189133 -10.167398\nBa Zn Pb\n2 1 1\ndirect\n0.000000 0.252126 0.252126 Ba\n0.000000 0.747874 0.747874 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pb\n",
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"volume": 1835.066292112319,
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"updated_at": "2021-11-28T01:34:45.681000Z",
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}
]
}