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{
"id": "mp-2717",
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{
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{
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{
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"structure_string": "Ag1 I2\n1.0\n4.285728 0.000000 0.000000\n0.000000 4.285728 0.000000\n0.000000 0.000000 6.354781\nAg I\n1 2\ndirect\n0.000000 0.000000 0.500000 Ag\n0.500000 0.000000 0.777762 I\n0.000000 0.500000 0.222238 I\n",
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"spacegroup": 115
},
{
"id": "mp-1078514",
"created_at": "2022-09-04T14:48:12.316896Z",
"structure_string": "Zr2 Ni2 P4\n1.0\n3.607617 0.000000 0.000000\n0.000000 3.607617 0.000000\n0.000000 0.000000 8.968561\nZr Ni P\n2 2 4\ndirect\n0.000000 0.500000 0.770365 Zr\n0.500000 0.000000 0.229635 Zr\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 P\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.344933 P\n0.500000 0.000000 0.655067 P\n",
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"formula_full": "Zr2 Ni2 P4",
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{
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"structure_string": "Pd2 Au2 O4\n1.0\n1.546924 6.302336 0.000000\n-1.546924 6.302336 0.000000\n0.000000 1.990659 5.986443\nPd Au O\n2 2 4\ndirect\n0.000000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.265157 0.265157 0.789350 Au\n0.734843 0.734843 0.210650 Au\n0.561369 0.561369 0.277794 O\n0.901606 0.901606 0.167879 O\n0.098394 0.098394 0.832121 O\n0.438631 0.438631 0.722206 O\n",
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"formula_full": "Pd2 Au2 O4",
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"spacegroup": 12
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{
"id": "mp-1094646",
"created_at": "2022-09-04T14:40:36.067290Z",
"structure_string": "Mg2 Ga4\n1.0\n1.593397 5.437494 0.000000\n-1.593397 5.437494 0.000000\n0.000000 2.094310 6.736239\nMg Ga\n2 4\ndirect\n0.639022 0.639022 0.467161 Mg\n0.360978 0.360978 0.532839 Mg\n0.309910 0.309910 0.130321 Ga\n0.027617 0.027617 0.185082 Ga\n0.972383 0.972383 0.814918 Ga\n0.690090 0.690090 0.869679 Ga\n",
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"volume": 116.72671647394145,
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"formula_full": "Mg2 Ga4",
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{
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"created_at": "2022-09-04T14:40:03.631770Z",
"structure_string": "Cr1 Cu4 Ni1 Sn2\n1.0\n7.194523 -2.181132 0.000000\n7.194523 2.181132 0.000000\n6.533279 0.000000 3.719512\nCr Cu Ni Sn\n1 4 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.376362 0.376362 0.376362 Cu\n0.873918 0.873918 0.873918 Cu\n0.623638 0.623638 0.623638 Cu\n0.126082 0.126082 0.126082 Cu\n0.500000 0.500000 0.500000 Ni\n0.750442 0.750442 0.750442 Sn\n0.249558 0.249558 0.249558 Sn\n",
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"volume": 116.73468469843196,
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"formula_full": "Cr1 Cu4 Ni1 Sn2",
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{
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{
"id": "mp-1207312",
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"structure_string": "Sm2 Mn1 Si2\n1.0\n2.892493 0.000000 0.000000\n0.000000 2.892493 0.000000\n0.000000 0.000000 13.952967\nSm Mn Si\n2 1 2\ndirect\n0.500000 0.500000 0.625187 Sm\n0.500000 0.500000 0.374813 Sm\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.165918 Si\n0.500000 0.500000 0.834082 Si\n",
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{
"id": "mp-545539",
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"structure_string": "Pr2 Bi1 O2\n1.0\n-2.029645 2.029645 7.084608\n2.029645 -2.029645 7.084608\n2.029645 2.029645 -7.084608\nPr Bi O\n2 1 2\ndirect\n0.334567 0.334567 0.000000 Pr\n0.665433 0.665433 0.000000 Pr\n0.000000 0.000000 0.000000 Bi\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n",
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{
"id": "mp-1147772",
"created_at": "2022-09-04T14:44:25.772677Z",
"structure_string": "Ba1 Na1 Cu1 Br1 O2\n1.0\n3.993148 0.000000 0.000000\n0.000000 3.993148 0.000000\n0.000000 0.000000 7.321461\nBa Na Cu Br O\n1 1 1 1 2\ndirect\n0.000000 0.000000 0.468644 Ba\n0.000000 0.000000 0.031384 Na\n0.500000 0.500000 0.216342 Cu\n0.500000 0.500000 0.751374 Br\n0.000000 0.500000 0.234168 O\n0.500000 0.000000 0.234168 O\n",
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]
}