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{
"id": "mp-1074327",
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"structure_string": "Mg16 Si12\n1.0\n5.859800 0.000000 0.000000\n2.277282 7.298900 0.000000\n1.330225 0.840989 12.422530\nMg Si\n16 12\ndirect\n0.994446 0.286173 0.977744 Mg\n0.502722 0.319359 0.895025 Mg\n0.678955 0.096457 0.467927 Mg\n0.587419 0.769840 0.243042 Mg\n0.922987 0.947821 0.814881 Mg\n0.393719 0.940748 0.914550 Mg\n0.858528 0.438316 0.406030 Mg\n0.079608 0.759501 0.364267 Mg\n0.920465 0.625009 0.592314 Mg\n0.310805 0.620845 0.730943 Mg\n0.797206 0.132191 0.231652 Mg\n0.253289 0.097278 0.351577 Mg\n0.505624 0.942130 0.674871 Mg\n0.710585 0.285309 0.662547 Mg\n0.540335 0.475661 0.108611 Mg\n0.053517 0.475808 0.175781 Mg\n0.179404 0.234511 0.572785 Si\n0.515205 0.782526 0.474531 Si\n0.201213 0.652328 0.967952 Si\n0.744993 0.030077 0.030874 Si\n0.774255 0.555463 0.801466 Si\n0.162454 0.293997 0.763185 Si\n0.406457 0.405514 0.326109 Si\n0.142828 0.849767 0.122714 Si\n0.402885 0.492072 0.507596 Si\n0.088980 0.933611 0.581989 Si\n0.788471 0.672918 0.978523 Si\n0.339478 0.103822 0.124642 Si\n",
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{
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"structure_string": "Y1 Mg14 Ga1\n1.0\n6.428809 0.000000 0.000000\n-3.214404 5.567511 -0.000000\n-0.000000 -0.000000 10.366068\nY Mg Ga\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Y\n0.179483 0.839741 0.125000 Mg\n0.161904 0.830952 0.625000 Mg\n0.660259 0.320517 0.125000 Mg\n0.669048 0.338096 0.625000 Mg\n0.660259 0.839741 0.125000 Mg\n0.669048 0.830952 0.625000 Mg\n0.331789 0.168211 0.383915 Mg\n0.331789 0.168211 0.866085 Mg\n0.331789 0.663580 0.383915 Mg\n0.331789 0.663580 0.866085 Mg\n0.836420 0.168211 0.383915 Mg\n0.836420 0.168211 0.866085 Mg\n0.833333 0.666667 0.365751 Mg\n0.833333 0.666667 0.884249 Mg\n0.166667 0.333333 0.625000 Ga\n",
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"density": 2.2328314469328205,
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"volume": 371.02712425732807,
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"formula_full": "Y1 Mg14 Ga1",
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{
"id": "mp-26579",
"created_at": "2022-09-04T14:42:46.776837Z",
"structure_string": "Li8 Cr8 P8 O32\n1.0\n5.924823 0.000000 0.000000\n0.000000 7.416742 0.000000\n0.000000 0.000000 14.180349\nLi Cr P O\n8 8 8 32\ndirect\n0.201546 0.184948 0.221100 Li\n0.798454 0.815052 0.778900 Li\n0.298454 0.815052 0.721100 Li\n0.798454 0.684948 0.278900 Li\n0.298454 0.684948 0.221100 Li\n0.701546 0.315052 0.778900 Li\n0.201546 0.315052 0.721100 Li\n0.701546 0.184948 0.278900 Li\n0.616774 0.840118 0.451977 Cr\n0.116774 0.840118 0.048023 Cr\n0.616774 0.659882 0.951977 Cr\n0.116774 0.659882 0.548023 Cr\n0.883226 0.340118 0.451977 Cr\n0.383226 0.340118 0.048023 Cr\n0.883226 0.159882 0.951977 Cr\n0.383226 0.159882 0.548023 Cr\n0.892816 0.042822 0.626840 P\n0.392816 0.042822 0.873160 P\n0.892816 0.457178 0.126840 P\n0.392816 0.457178 0.373160 P\n0.607184 0.542822 0.626840 P\n0.107184 0.542822 0.873160 P\n0.607184 0.957178 0.126840 P\n0.107184 0.957178 0.373160 P\n0.787059 0.421229 0.222569 O\n0.439495 0.802942 0.097753 O\n0.939495 0.802942 0.402247 O\n0.017206 0.858473 0.632862 O\n0.517207 0.858473 0.867138 O\n0.712941 0.921229 0.222569 O\n0.212941 0.921229 0.277431 O\n0.793644 0.963159 0.045920 O\n0.706356 0.036841 0.545920 O\n0.206356 0.036841 0.954080 O\n0.787059 0.078771 0.722569 O\n0.287059 0.078771 0.777431 O\n0.482793 0.141527 0.132862 O\n0.982793 0.141527 0.367138 O\n0.060505 0.197058 0.597753 O\n0.939495 0.697058 0.902247 O\n0.060505 0.302942 0.097753 O\n0.560505 0.302942 0.402247 O\n0.482793 0.358473 0.632862 O\n0.982793 0.358473 0.867138 O\n0.560505 0.197058 0.902247 O\n0.287059 0.421229 0.277431 O\n0.706356 0.463159 0.045920 O\n0.206356 0.463159 0.454080 O\n0.793644 0.536841 0.545920 O\n0.293644 0.536841 0.954080 O\n0.712941 0.578771 0.722569 O\n0.212941 0.578771 0.777431 O\n0.017206 0.641527 0.132862 O\n0.517207 0.641527 0.367138 O\n0.439495 0.697058 0.597753 O\n0.293644 0.963159 0.454080 O\n",
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"elements": [
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"volume": 623.1254253252956,
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"formula_full": "Li8 Cr8 P8 O32",
"formula_reduced": "LiCrPO4",
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"spacegroup": 61
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{
"id": "mp-781605",
"created_at": "2022-09-04T14:42:46.173825Z",
"structure_string": "Co8 O12 F4\n1.0\n2.927303 4.390104 0.000000\n-2.927303 4.390104 0.000000\n0.000000 3.962117 8.778217\nCo O F\n8 12 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.727138 0.727138 0.514767 Co\n0.121283 0.628565 0.749630 Co\n0.878717 0.371435 0.250370 Co\n0.371434 0.878717 0.250370 Co\n0.500000 0.500000 0.000000 Co\n0.272862 0.272862 0.485233 Co\n0.628565 0.121283 0.749630 Co\n0.701003 0.201080 0.902804 O\n0.298997 0.798920 0.097196 O\n0.046024 0.549841 0.597096 O\n0.798920 0.298997 0.097196 O\n0.732038 0.732038 0.844336 O\n0.514489 0.514489 0.654818 O\n0.267962 0.267962 0.155664 O\n0.450159 0.953976 0.402904 O\n0.953976 0.450159 0.402904 O\n0.201080 0.701003 0.902804 O\n0.549841 0.046024 0.597096 O\n0.485511 0.485511 0.345182 O\n0.784618 0.784618 0.143203 F\n0.956597 0.956597 0.360828 F\n0.215382 0.215382 0.856797 F\n0.043403 0.043403 0.639172 F\n",
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"density": 5.442272389835573,
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"volume": 225.6206232900332,
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"formula_full": "Co8 O12 F4",
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{
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"created_at": "2022-09-04T14:42:47.383441Z",
"structure_string": "Ca2 H12 C12 Br4 O16\n1.0\n8.539038 5.574867 0.000000\n-8.539038 5.574867 0.000000\n0.000000 1.830667 6.431529\nCa H C Br O\n2 12 12 4 16\ndirect\n0.800434 0.800434 0.142958 Ca\n0.199566 0.199566 0.857042 Ca\n0.709020 0.799469 0.606874 H\n0.290980 0.200531 0.393126 H\n0.200531 0.290980 0.393126 H\n0.799469 0.709020 0.606874 H\n0.078745 0.988323 0.279908 H\n0.921255 0.011677 0.720092 H\n0.011677 0.921255 0.720092 H\n0.988323 0.078745 0.279908 H\n0.799778 0.101163 0.434136 H\n0.200222 0.898837 0.565864 H\n0.898837 0.200222 0.565864 H\n0.101163 0.799778 0.434136 H\n0.429991 0.094802 0.046489 C\n0.570009 0.905198 0.953511 C\n0.905198 0.570009 0.953511 C\n0.094802 0.429991 0.046489 C\n0.612780 0.999964 0.112183 C\n0.387220 0.000036 0.887817 C\n0.000036 0.387220 0.887817 C\n0.999964 0.612780 0.112183 C\n0.542144 0.091356 0.145666 C\n0.457856 0.908644 0.854334 C\n0.908644 0.457856 0.854334 C\n0.091356 0.542144 0.145666 C\n0.596174 0.214662 0.331611 Br\n0.403826 0.785338 0.668389 Br\n0.785338 0.403826 0.668389 Br\n0.214662 0.596174 0.331611 Br\n0.570861 0.570861 0.287754 O\n0.429139 0.429139 0.712246 O\n0.883080 0.116920 0.500000 O\n0.116920 0.883080 0.500000 O\n0.767903 0.767903 0.513807 O\n0.232097 0.232097 0.486193 O\n0.360218 0.170130 0.079894 O\n0.639782 0.829870 0.920106 O\n0.829870 0.639782 0.920106 O\n0.170130 0.360218 0.079894 O\n0.709936 0.989061 0.201613 O\n0.290064 0.010939 0.798387 O\n0.010939 0.290064 0.798387 O\n0.989061 0.709936 0.201613 O\n0.971207 0.971207 0.809911 O\n0.028793 0.028793 0.190089 O\n",
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{
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"structure_string": "Y2 Co4 O8\n1.0\n5.334072 -3.059140 0.000000\n5.334072 3.059140 0.000000\n3.579627 0.000000 4.999693\nY Co O\n2 4 8\ndirect\n0.620901 0.620901 0.620901 Y\n0.379099 0.379099 0.379099 Y\n0.500000 0.000000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.757973 0.195386 0.757973 O\n0.242027 0.242027 0.804614 O\n0.804614 0.242027 0.242027 O\n0.234497 0.234497 0.234497 O\n0.757973 0.757973 0.195386 O\n0.242027 0.804614 0.242027 O\n0.195386 0.757973 0.757973 O\n0.765503 0.765503 0.765503 O\n",
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{
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{
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"structure_string": "Rb3 Au1 F6\n1.0\n-0.214070 1.218298 -7.255212\n-4.033698 -7.389481 0.667493\n-3.167082 6.585164 -0.869883\nRb Au F\n3 1 6\ndirect\n0.500000 0.000000 0.000000 Rb\n0.000000 0.500000 0.500000 Rb\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.790971 0.074265 0.269685 F\n0.209029 0.925735 0.730315 F\n0.784176 0.796749 0.668172 F\n0.215824 0.203251 0.331828 F\n0.044142 0.767467 0.982686 F\n0.955858 0.232533 0.017314 F\n",
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{
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"structure_string": "Ca4 H8\n1.0\n3.787502 0.000000 0.000000\n0.000000 5.360712 0.000000\n0.000000 0.000000 6.683019\nCa H\n4 8\ndirect\n0.250000 0.748460 0.589310 Ca\n0.250000 0.248460 0.910690 Ca\n0.750000 0.251540 0.410690 Ca\n0.750000 0.751540 0.089310 Ca\n0.250000 0.760057 0.919242 H\n0.250000 0.260057 0.580758 H\n0.750000 0.239943 0.080758 H\n0.750000 0.739943 0.419242 H\n0.250000 0.998219 0.255522 H\n0.250000 0.498219 0.244478 H\n0.750000 0.001781 0.744478 H\n0.750000 0.501781 0.755522 H\n",
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