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{
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{
"id": "mp-1207934",
"created_at": "2022-09-04T14:45:38.233151Z",
"structure_string": "U4 Ga12 Ni1\n1.0\n-4.285905 4.285905 4.285905\n4.285905 -4.285905 4.285905\n4.285905 4.285905 -4.285905\nU Ga Ni\n4 12 1\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.500000 U\n0.000000 0.500000 0.000000 U\n0.500000 0.000000 0.000000 U\n0.500000 0.750000 0.250000 Ga\n0.500000 0.250000 0.750000 Ga\n0.250000 0.500000 0.750000 Ga\n0.750000 0.500000 0.250000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.000000 0.285211 0.285211 Ga\n0.000000 0.714789 0.714789 Ga\n0.285211 0.000000 0.285211 Ga\n0.714789 0.000000 0.714789 Ga\n0.285211 0.285211 0.000000 Ga\n0.714789 0.714789 0.000000 Ga\n0.000000 0.000000 0.000000 Ni\n",
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{
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{
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{
"id": "mp-867998",
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"structure_string": "In15 Sn1 O24\n1.0\n5.162358 -7.290081 0.000000\n5.162358 7.290081 0.000000\n-5.132410 0.000000 7.311197\nIn Sn O\n15 1 24\ndirect\n0.965153 0.749597 0.216374 In\n0.714989 0.466470 0.749319 In\n0.783626 0.034847 0.250403 In\n0.250403 0.783626 0.034847 In\n0.250681 0.285011 0.533530 In\n0.500000 0.500000 0.000000 In\n0.533530 0.250681 0.285011 In\n0.000000 0.500000 0.500000 In\n0.466470 0.749319 0.714989 In\n0.500000 0.000000 0.500000 In\n0.749319 0.714989 0.466470 In\n0.749597 0.216374 0.965153 In\n0.285011 0.533530 0.250681 In\n0.216374 0.965153 0.749597 In\n0.034847 0.250403 0.783626 In\n0.000000 0.000000 0.000000 Sn\n0.045848 0.039503 0.263124 O\n0.455480 0.227548 0.493121 O\n0.729837 0.774309 0.236258 O\n0.039503 0.263124 0.045848 O\n0.534490 0.992928 0.262080 O\n0.227548 0.493121 0.455480 O\n0.763742 0.270163 0.225691 O\n0.737920 0.465510 0.007072 O\n0.506879 0.544520 0.772452 O\n0.263124 0.045848 0.039503 O\n0.225691 0.763742 0.270163 O\n0.992928 0.262080 0.534490 O\n0.007072 0.737920 0.465510 O\n0.493121 0.455480 0.227548 O\n0.774309 0.236258 0.729837 O\n0.736876 0.954152 0.960497 O\n0.236258 0.729837 0.774309 O\n0.262080 0.534490 0.992928 O\n0.465510 0.007072 0.737920 O\n0.772452 0.506879 0.544520 O\n0.270163 0.225691 0.763742 O\n0.960497 0.736876 0.954152 O\n0.544520 0.772452 0.506879 O\n0.954152 0.960497 0.736876 O\n",
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{
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{
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{
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"structure_string": "Ho1 Ge1 O3\n1.0\n3.904923 0.000000 0.000000\n0.000000 3.904923 0.000000\n0.000000 0.000000 3.904923\nHo Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Ge-Ho-O",
"density": 7.963830434741589,
"density_atomic": 0.08397162944178785,
"volume": 59.543920169682785,
"volume_molar": 7.171637373280656,
"formula_full": "Ho1 Ge1 O3",
"formula_reduced": "HoGeO3",
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"formation_energy": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0006553,
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"updated_at": "2021-11-28T01:37:08.124000Z",
"spacegroup": 221
},
{
"id": "mp-1195981",
"created_at": "2022-09-04T14:45:38.094236Z",
"structure_string": "Lu12 Ge24 Ru12\n1.0\n0.000000 0.000000 8.308481\n9.593771 0.000000 0.000000\n0.000000 10.548186 0.000000\nLu Ge Ru\n12 24 12\ndirect\n0.244174 0.823386 0.449930 Lu\n0.244174 0.176614 0.550070 Lu\n0.755826 0.323386 0.050070 Lu\n0.755826 0.676614 0.949930 Lu\n0.755826 0.176614 0.550070 Lu\n0.755826 0.823386 0.449930 Lu\n0.244174 0.676614 0.949930 Lu\n0.244174 0.323386 0.050070 Lu\n0.000000 0.835540 0.176829 Lu\n0.000000 0.164460 0.823171 Lu\n0.000000 0.335540 0.323171 Lu\n0.000000 0.664460 0.676829 Lu\n0.347142 0.842094 0.179485 Ge\n0.347142 0.157906 0.820515 Ge\n0.652858 0.342094 0.320515 Ge\n0.652858 0.657906 0.679485 Ge\n0.652858 0.157906 0.820515 Ge\n0.652858 0.842094 0.179485 Ge\n0.347142 0.657906 0.679485 Ge\n0.347142 0.342094 0.320515 Ge\n0.500000 0.543053 0.118243 Ge\n0.500000 0.456947 0.881757 Ge\n0.500000 0.043053 0.381757 Ge\n0.500000 0.956947 0.618243 Ge\n0.000000 0.535655 0.118807 Ge\n0.000000 0.464345 0.881193 Ge\n0.000000 0.035655 0.381193 Ge\n0.000000 0.964345 0.618807 Ge\n0.500000 0.623902 0.403890 Ge\n0.500000 0.376098 0.596110 Ge\n0.500000 0.123902 0.096110 Ge\n0.500000 0.876098 0.903890 Ge\n0.000000 0.628921 0.398818 Ge\n0.000000 0.371079 0.601182 Ge\n0.000000 0.128921 0.101182 Ge\n0.000000 0.871079 0.898818 Ge\n0.250923 0.588612 0.237007 Ru\n0.250923 0.411388 0.762993 Ru\n0.749077 0.088612 0.262993 Ru\n0.749077 0.911388 0.737007 Ru\n0.749077 0.411388 0.762993 Ru\n0.749077 0.588612 0.237007 Ru\n0.250923 0.911388 0.737007 Ru\n0.250923 0.088612 0.262993 Ru\n0.248406 0.500000 0.500000 Ru\n0.751594 0.000000 0.000000 Ru\n0.751594 0.500000 0.500000 Ru\n0.248406 0.000000 0.000000 Ru\n",
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],
"chemical_system": "Ge-Lu-Ru",
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"volume": 840.7923626274018,
"volume_molar": 10.548687411823284,
"formula_full": "Lu12 Ge24 Ru12",
"formula_reduced": "LuGe2Ru",
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"updated_at": "2021-11-28T01:37:01.301000Z",
"spacegroup": 55
}
]
}