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{
"id": "mp-1017553",
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{
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{
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{
"id": "mp-1235504",
"created_at": "2022-09-04T14:46:59.050439Z",
"structure_string": "Li1 Er1 Tl1 O2\n1.0\n3.372343 -0.000752 -0.015690\n-1.716966 0.991290 9.429790\n1.686823 -2.920159 -0.015690\nLi Er Tl O\n1 1 1 2\ndirect\n0.097464 0.302556 0.097464 Li\n0.514213 0.545496 0.514213 Er\n0.985240 0.948531 0.985240 Tl\n0.214859 0.643011 0.214859 O\n0.795367 0.393739 0.795367 O\n",
"nsites": 5,
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{
"id": "mp-1026588",
"created_at": "2022-09-04T14:41:07.256992Z",
"structure_string": "Mg14 Sn1 B1\n1.0\n6.237880 -0.000000 0.000000\n-3.118940 5.402162 -0.000000\n0.000000 -0.000000 10.186171\nMg Sn B\n14 1 1\ndirect\n0.169061 0.834530 0.125000 Mg\n0.162274 0.831136 0.625000 Mg\n0.665470 0.330939 0.125000 Mg\n0.668864 0.337726 0.625000 Mg\n0.665470 0.834530 0.125000 Mg\n0.668864 0.831136 0.625000 Mg\n0.330485 0.169515 0.388351 Mg\n0.330485 0.169515 0.861649 Mg\n0.330485 0.660971 0.388351 Mg\n0.330485 0.660971 0.861649 Mg\n0.839029 0.169515 0.388351 Mg\n0.839029 0.169515 0.861649 Mg\n0.833333 0.666667 0.374481 Mg\n0.833333 0.666667 0.875519 Mg\n0.166667 0.333333 0.125000 Sn\n0.166667 0.333333 0.625000 B\n",
"nsites": 16,
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"elements": [
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{
"id": "mp-1095513",
"created_at": "2022-09-04T14:43:22.390924Z",
"structure_string": "Sr4 Cd4 Au4\n1.0\n4.569854 0.000000 0.000000\n0.000000 7.918690 0.000000\n0.000000 0.000000 9.020891\nSr Cd Au\n4 4 4\ndirect\n0.250000 0.033830 0.315680 Sr\n0.250000 0.533830 0.184320 Sr\n0.750000 0.966170 0.684320 Sr\n0.750000 0.466170 0.815680 Sr\n0.250000 0.145379 0.936381 Cd\n0.250000 0.645379 0.563619 Cd\n0.750000 0.854621 0.063619 Cd\n0.750000 0.354621 0.436381 Cd\n0.250000 0.264361 0.624038 Au\n0.250000 0.764361 0.875962 Au\n0.750000 0.735639 0.375962 Au\n0.750000 0.235639 0.124038 Au\n",
"nsites": 12,
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],
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"density": 8.077776525932327,
"density_atomic": 0.03676005427917302,
"volume": 326.4413025309048,
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"formula_full": "Sr4 Cd4 Au4",
"formula_reduced": "SrCdAu",
"formula_anonymous": "ABC",
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{
"id": "mp-1077332",
"created_at": "2022-09-04T14:40:05.616078Z",
"structure_string": "Ho1 Cd1 Ni4\n1.0\n0.000000 3.507626 3.507626\n3.507626 0.000000 3.507626\n3.507626 3.507626 0.000000\nHo Cd Ni\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ho\n0.000000 0.000000 0.000000 Cd\n0.625770 0.625770 0.122691 Ni\n0.625770 0.122691 0.625770 Ni\n0.122691 0.625770 0.625770 Ni\n0.625770 0.625770 0.625770 Ni\n",
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{
"id": "mp-3839",
"created_at": "2022-09-04T14:48:11.369289Z",
"structure_string": "Ga2 Cu2 Te4\n1.0\n-3.043530 3.043530 6.076328\n3.043530 -3.043530 6.076328\n3.043530 3.043530 -6.076328\nGa Cu Te\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Ga\n0.250000 0.750000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n0.750000 0.250000 0.500000 Cu\n0.375000 0.361831 0.486831 Te\n0.638169 0.125000 0.013169 Te\n0.111831 0.625000 0.986831 Te\n0.875000 0.888169 0.513169 Te\n",
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{
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"structure_string": "Zr1 Pt3\n1.0\n4.056301 0.000000 0.000000\n0.000000 4.056301 0.000000\n0.000000 0.000000 4.056301\nZr Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
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{
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{
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"created_at": "2022-09-04T14:42:22.725166Z",
"structure_string": "Mg14 Ti1 Cd1\n1.0\n6.354594 0.000000 -0.000000\n-3.177297 5.503239 -0.000000\n0.000000 -0.000000 10.193548\nMg Ti Cd\n14 1 1\ndirect\n0.170260 0.835130 0.125000 Mg\n0.165170 0.832585 0.625000 Mg\n0.664870 0.329740 0.125000 Mg\n0.667415 0.334830 0.625000 Mg\n0.664870 0.835130 0.125000 Mg\n0.667415 0.832585 0.625000 Mg\n0.330089 0.169911 0.372823 Mg\n0.330089 0.169911 0.877177 Mg\n0.330089 0.660179 0.372823 Mg\n0.330089 0.660179 0.877177 Mg\n0.839821 0.169911 0.372823 Mg\n0.839821 0.169911 0.877177 Mg\n0.833333 0.666667 0.373179 Mg\n0.833333 0.666667 0.876821 Mg\n0.166667 0.333333 0.125000 Ti\n0.166667 0.333333 0.625000 Cd\n",
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{
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"structure_string": "Cu3 O3\n1.0\n3.941219 0.000000 0.000000\n0.000000 3.941219 0.000000\n0.000000 0.000000 3.941219\nCu O\n3 3\ndirect\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
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]
}