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{
"id": "mp-1206836",
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{
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"formula_full": "Cs2 Na1 Al1 H6",
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{
"id": "mp-1017515",
"created_at": "2022-09-04T14:40:27.471863Z",
"structure_string": "Mn2 Co1 As1\n1.0\n0.000000 2.871078 2.871078\n2.871078 0.000000 2.871078\n2.871078 2.871078 0.000000\nMn Co As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n0.500000 0.500000 0.500000 Co\n0.750000 0.750000 0.750000 As\n",
"nsites": 4,
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"volume": 47.33310228279193,
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"formula_full": "Mn2 Co1 As1",
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"spacegroup": 216
},
{
"id": "mp-1222402",
"created_at": "2022-09-04T14:47:55.941362Z",
"structure_string": "Li1 Gd1 Se2\n1.0\n4.126063 0.000000 0.000000\n0.000000 4.126063 0.000000\n0.000000 0.000000 5.606562\nLi Gd Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n",
"nsites": 4,
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"density": 5.603847585406516,
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"formula_full": "Li1 Gd1 Se2",
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{
"id": "mp-643",
"created_at": "2022-09-04T14:42:00.029740Z",
"structure_string": "Th1 O2\n1.0\n0.000000 2.809636 2.809636\n2.809636 0.000000 2.809636\n2.809636 2.809636 0.000000\nTh O\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.750000 0.750000 0.750000 O\n0.250000 0.250000 0.250000 O\n",
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"volume": 44.35883915138609,
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"formula_full": "Th1 O2",
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{
"id": "mp-20586",
"created_at": "2022-09-04T14:44:01.799676Z",
"structure_string": "V1 Co2 Si1\n1.0\n0.000000 2.828402 2.828402\n2.828402 0.000000 2.828402\n2.828402 2.828402 0.000000\nV Co Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 V\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n0.500000 0.500000 0.500000 Si\n",
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"density": 7.224816669157071,
"density_atomic": 0.08839070313512093,
"volume": 45.253628018834604,
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"formula_full": "V1 Co2 Si1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:24.540000Z",
"spacegroup": 225
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{
"id": "mp-1224050",
"created_at": "2022-09-04T14:47:17.181637Z",
"structure_string": "In1 Ga1 Cu2 Te4\n1.0\n6.169756 0.000000 0.000000\n0.000000 6.169756 0.000000\n3.084877 3.084877 6.144344\nIn Ga Cu Te\n1 1 2 4\ndirect\n0.500000 0.500000 0.000000 In\n0.250000 0.750000 0.500000 Ga\n0.750000 0.250000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.367557 0.902529 0.739967 Te\n0.892476 0.357504 0.739967 Te\n0.097471 0.107524 0.260033 Te\n0.642496 0.632443 0.260033 Te\n",
"nsites": 8,
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"density_atomic": 0.034204125139625105,
"volume": 233.8899172933994,
"volume_molar": 17.606475053570122,
"formula_full": "In1 Ga1 Cu2 Te4",
"formula_reduced": "InGa(CuTe2)2",
"formula_anonymous": "ABC2D4",
"energy": -30.40813461,
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"spacegroup": 82
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{
"id": "mp-1025191",
"created_at": "2022-09-04T14:41:15.422390Z",
"structure_string": "Sc1 Ga5 Ni1\n1.0\n4.169348 0.000000 0.000000\n0.000000 4.169348 0.000000\n0.000000 0.000000 6.718316\nSc Ga Ni\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.300884 Ga\n0.000000 0.500000 0.699116 Ga\n0.500000 0.000000 0.300884 Ga\n0.500000 0.000000 0.699116 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Ni\n",
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"formula_full": "Sc1 Ga5 Ni1",
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{
"id": "mp-1027718",
"created_at": "2022-09-04T14:43:52.438425Z",
"structure_string": "Li1 Mg14 Co1\n1.0\n6.338313 0.000000 0.000000\n-3.169156 5.489139 -0.000000\n0.000000 0.000000 9.739326\nLi Mg Co\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Li\n0.164256 0.832127 0.125000 Mg\n0.170440 0.835219 0.625000 Mg\n0.667873 0.335744 0.125000 Mg\n0.664781 0.329560 0.625000 Mg\n0.667873 0.832127 0.125000 Mg\n0.664781 0.835219 0.625000 Mg\n0.325801 0.174199 0.364933 Mg\n0.325801 0.174199 0.885067 Mg\n0.325801 0.651602 0.364933 Mg\n0.325801 0.651602 0.885067 Mg\n0.848398 0.174199 0.364933 Mg\n0.848398 0.174199 0.885067 Mg\n0.833333 0.666667 0.378604 Mg\n0.833333 0.666667 0.871396 Mg\n0.166667 0.333333 0.125000 Co\n",
"nsites": 16,
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"chemical_system": "Co-Li-Mg",
"density": 1.9903182922443032,
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{
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"structure_string": "Ca1 Mg14 C1\n1.0\n6.480896 0.234868 0.000000\n-3.037047 5.260319 0.000000\n0.000000 0.000000 10.410190\nCa Mg C\n1 14 1\ndirect\n0.104287 0.302143 0.125000 Ca\n0.156861 0.328430 0.625000 Mg\n0.138727 0.819363 0.625000 Mg\n0.568296 0.260680 0.125000 Mg\n0.657507 0.332520 0.625000 Mg\n0.568296 0.807615 0.125000 Mg\n0.657507 0.824986 0.625000 Mg\n0.345938 0.175748 0.384633 Mg\n0.345938 0.175748 0.865367 Mg\n0.345938 0.670191 0.384633 Mg\n0.345938 0.670191 0.865367 Mg\n0.828862 0.164431 0.384718 Mg\n0.828862 0.164431 0.865282 Mg\n0.930953 0.715477 0.276137 Mg\n0.930953 0.715477 0.973863 Mg\n0.245138 0.872568 0.125000 C\n",
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{
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"structure_string": "Er1 Si1 Ni3\n1.0\n-1.891891 1.891891 5.040902\n1.891891 -1.891891 5.040902\n1.891891 1.891891 -5.040902\nEr Si Ni\n1 1 3\ndirect\n0.011534 0.011534 0.000000 Er\n0.379590 0.379590 0.000000 Si\n0.753560 0.253560 0.500000 Ni\n0.253560 0.753560 0.500000 Ni\n0.601756 0.601756 0.000000 Ni\n",
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"spacegroup": 107
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{
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"created_at": "2022-09-04T14:42:09.127719Z",
"structure_string": "Dy1 Si2 Pd2\n1.0\n-2.071117 2.071117 5.013802\n2.071117 -2.071117 5.013802\n2.071117 2.071117 -5.013802\nDy Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.615526 0.615526 0.000000 Si\n0.384474 0.384474 0.000000 Si\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
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]
}