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{
"id": "mp-1111149",
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{
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"structure_string": "Mn1 Cd4 Te5\n1.0\n0.000000 0.000000 -6.566789\n6.564966 -3.282483 -3.283394\n-3.282483 -6.564966 -3.283394\nMn Cd Te\n1 4 5\ndirect\n0.800000 0.800000 0.600000 Mn\n0.999925 0.998399 0.999445 Cd\n0.200629 0.199445 0.401601 Cd\n0.401676 0.400555 0.798399 Cd\n0.597769 0.601601 0.200555 Cd\n0.463255 0.703241 0.889193 Te\n0.655689 0.896759 0.310807 Te\n0.847552 0.089193 0.696759 Te\n0.050000 0.300000 0.100000 Te\n0.233504 0.510807 0.503241 Te\n",
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{
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"structure_string": "Fe2 Cl6\n1.0\n3.865541 0.000000 0.000000\n0.696606 7.491709 0.000000\n1.542194 1.463376 7.370070\nFe Cl\n2 6\ndirect\n0.147554 0.702089 0.222014 Fe\n0.225585 0.326475 0.529753 Fe\n0.315629 0.259822 0.797732 Cl\n0.998923 0.606043 0.531729 Cl\n0.226232 0.750791 0.933685 Cl\n0.012508 0.086603 0.507126 Cl\n0.443888 0.423968 0.239165 Cl\n0.607427 0.856495 0.240690 Cl\n",
"nsites": 8,
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"elements": [
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"formula_full": "Fe2 Cl6",
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"spacegroup": 1
},
{
"id": "mp-997037",
"created_at": "2022-09-04T14:40:31.276927Z",
"structure_string": "Cd2 Au2 O4\n1.0\n3.160754 -5.916034 0.000000\n3.160754 5.916034 0.000000\n0.000000 0.000000 3.217399\nCd Au O\n2 2 4\ndirect\n0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.000000 Au\n0.822925 0.177075 0.000000 O\n0.177075 0.822925 0.000000 O\n0.608959 0.391041 0.500000 O\n0.391041 0.608959 0.500000 O\n",
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"formula_full": "Cd2 Au2 O4",
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"spacegroup": 65
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{
"id": "mp-1111477",
"created_at": "2022-09-04T14:39:59.065924Z",
"structure_string": "Na2 Li1 In1 Cl6\n1.0\n0.000000 5.046559 5.046559\n5.046559 0.000000 5.046559\n5.046559 5.046559 0.000000\nNa Li In Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 In\n0.750007 0.249993 0.249993 Cl\n0.249993 0.249993 0.750007 Cl\n0.249993 0.750007 0.750007 Cl\n0.249993 0.750007 0.249993 Cl\n0.750007 0.249993 0.750007 Cl\n0.750007 0.750007 0.249993 Cl\n",
"nsites": 10,
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"density_atomic": 0.03890307579261148,
"volume": 257.04908407008816,
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"formula_full": "Na2 Li1 In1 Cl6",
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"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:35:03.244000Z",
"spacegroup": 225
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{
"id": "mp-569600",
"created_at": "2022-09-04T14:40:43.753563Z",
"structure_string": "Ge3 As4\n1.0\n5.513267 0.000000 0.000000\n0.000000 5.513267 0.000000\n0.000000 0.000000 5.513267\nGe As\n3 4\ndirect\n0.000000 0.000000 0.500000 Ge\n0.500000 0.000000 0.000000 Ge\n0.000000 0.500000 0.000000 Ge\n0.718000 0.718000 0.718000 As\n0.282000 0.282000 0.718000 As\n0.282000 0.718000 0.282000 As\n0.718000 0.282000 0.282000 As\n",
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"volume": 167.5818868044368,
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"formula_full": "Ge3 As4",
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"formula_anonymous": "A3B4",
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{
"id": "mp-1222984",
"created_at": "2022-09-04T14:47:18.819588Z",
"structure_string": "La1 Al1 Cu1 Ni3\n1.0\n2.615498 -4.530176 0.000000\n2.615498 4.530176 0.000000\n0.000000 0.000000 3.846068\nLa Al Cu Ni\n1 1 1 3\ndirect\n0.666667 0.333333 0.000000 La\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.000000 Cu\n0.665051 0.832526 0.500000 Ni\n0.167474 0.832526 0.500000 Ni\n0.167474 0.334949 0.500000 Ni\n",
"nsites": 6,
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"Al",
"Cu",
"Ni"
],
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"volume": 91.14155234936082,
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"formula_full": "La1 Al1 Cu1 Ni3",
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"updated_at": "2021-11-28T01:38:03.229000Z",
"spacegroup": 187
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{
"id": "mp-1152",
"created_at": "2022-09-04T14:41:25.950364Z",
"structure_string": "Ti1 Rh3\n1.0\n3.861660 0.000000 0.000000\n0.000000 3.861660 0.000000\n0.000000 0.000000 3.861660\nTi Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n",
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"volume": 57.5866879224223,
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"formula_full": "Ti1 Rh3",
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{
"id": "mp-1021271",
"created_at": "2022-09-04T14:39:37.312136Z",
"structure_string": "Ce2 Mg12 Cd2\n1.0\n5.126714 0.000000 0.000000\n0.000000 6.398834 0.000000\n0.000000 0.000000 12.094300\nCe Mg Cd\n2 12 2\ndirect\n0.500000 0.000000 0.183501 Ce\n0.500000 0.500000 0.683501 Ce\n0.500000 0.252053 0.427897 Mg\n0.500000 0.747947 0.427897 Mg\n0.000000 0.752552 0.076602 Mg\n0.000000 0.247448 0.076602 Mg\n0.000000 0.000000 0.343950 Mg\n0.000000 0.500000 0.314275 Mg\n0.500000 0.752053 0.927897 Mg\n0.500000 0.247947 0.927897 Mg\n0.000000 0.252552 0.576602 Mg\n0.000000 0.747448 0.576602 Mg\n0.000000 0.500000 0.843950 Mg\n0.000000 0.000000 0.814275 Mg\n0.500000 0.500000 0.149271 Cd\n0.500000 0.000000 0.649271 Cd\n",
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{
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{
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"nsites": 10,
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"formula_full": "Li4 Ag2 Sn4",
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{
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]
}