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{
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{
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},
{
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"structure_string": "Nd4 Mg2 Cu4\n1.0\n7.842448 0.000000 0.000000\n0.000000 7.842448 0.000000\n0.000000 0.000000 3.806046\nNd Mg Cu\n4 2 4\ndirect\n0.328490 0.828490 0.500000 Nd\n0.828490 0.671510 0.500000 Nd\n0.171510 0.328490 0.500000 Nd\n0.671510 0.171510 0.500000 Nd\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.120797 0.620797 0.000000 Cu\n0.620797 0.879203 0.000000 Cu\n0.879203 0.379203 0.000000 Cu\n0.379203 0.120797 0.000000 Cu\n",
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{
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"created_at": "2022-09-04T14:45:29.371291Z",
"structure_string": "Yb4 Br8\n1.0\n6.679768 0.000000 0.000000\n0.000000 7.274615 0.000000\n0.000000 0.000000 8.131987\nYb Br\n4 8\ndirect\n0.000000 0.250000 0.651252 Yb\n0.500000 0.750000 0.848748 Yb\n0.000000 0.750000 0.348748 Yb\n0.500000 0.250000 0.151252 Yb\n0.261626 0.079001 0.891691 Br\n0.238374 0.579001 0.608309 Br\n0.761626 0.920999 0.608309 Br\n0.738374 0.420999 0.891691 Br\n0.738374 0.920999 0.108309 Br\n0.761626 0.420999 0.391691 Br\n0.238374 0.079001 0.391691 Br\n0.261626 0.579001 0.108309 Br\n",
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{
"id": "mp-1111531",
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{
"id": "mp-1114078",
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"structure_string": "Rb2 Y1 Hg1 Cl6\n1.0\n0.000000 5.581141 5.581141\n5.581141 0.000000 5.581141\n5.581141 5.581141 0.000000\nRb Y Hg Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Hg\n0.763598 0.236402 0.236402 Cl\n0.236402 0.236402 0.763598 Cl\n0.236402 0.763598 0.763598 Cl\n0.236402 0.763598 0.236402 Cl\n0.763598 0.236402 0.763598 Cl\n0.763598 0.763598 0.236402 Cl\n",
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{
"id": "mp-1247003",
"created_at": "2022-09-04T14:44:30.725493Z",
"structure_string": "K1 Ca1 N1\n1.0\n0.000000 -2.308376 3.151526\n1.450614 -3.621491 -0.231445\n6.144011 0.198181 2.566323\nK Ca N\n1 1 1\ndirect\n0.349766 0.975617 0.824851 K\n0.815876 0.439910 0.428340 Ca\n0.111360 0.736473 0.540809 N\n",
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{
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"structure_string": "Al4 Ga4 Cl16\n1.0\n10.237499 0.000000 0.000000\n0.000000 7.277469 0.000000\n0.000000 6.713977 9.588664\nAl Ga Cl\n4 4 16\ndirect\n0.544970 0.425446 0.317533 Al\n0.044970 0.574554 0.182467 Al\n0.455030 0.574554 0.682467 Al\n0.955030 0.425446 0.817533 Al\n0.287010 0.935251 0.211408 Ga\n0.787010 0.064749 0.288592 Ga\n0.712990 0.064749 0.788592 Ga\n0.212990 0.935251 0.711408 Ga\n0.930461 0.783964 0.680480 Cl\n0.430461 0.216036 0.819520 Cl\n0.069539 0.216036 0.319520 Cl\n0.569539 0.783964 0.180480 Cl\n0.716656 0.262263 0.446266 Cl\n0.216656 0.737737 0.053734 Cl\n0.283344 0.737737 0.553734 Cl\n0.783344 0.262263 0.946266 Cl\n0.028954 0.716950 0.302037 Cl\n0.528954 0.283050 0.197963 Cl\n0.971046 0.283050 0.697963 Cl\n0.471046 0.716950 0.802037 Cl\n0.627779 0.635951 0.560728 Cl\n0.127779 0.364049 0.939272 Cl\n0.372221 0.364049 0.439272 Cl\n0.872221 0.635951 0.060728 Cl\n",
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{
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{
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{
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"energy_uncorrected": -68.07588353,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026726,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.819000Z",
"spacegroup": 186
}
]
}