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{
"id": "mp-1104131",
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{
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{
"id": "mp-12750",
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"structure_string": "Sm2 Ge4\n1.0\n-2.044448 2.044448 8.199668\n2.044448 -2.044448 8.199668\n2.044448 2.044448 -8.199668\nSm Ge\n2 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.250000 0.500000 Sm\n0.329027 0.829027 0.500000 Ge\n0.579027 0.579027 0.000000 Ge\n0.170973 0.670973 0.500000 Ge\n0.420973 0.420973 0.000000 Ge\n",
"nsites": 6,
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"formula_full": "Sm2 Ge4",
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"spacegroup": 141
},
{
"id": "mp-1071820",
"created_at": "2022-09-04T14:42:07.012350Z",
"structure_string": "Si2 O4\n1.0\n-2.234788 2.356177 3.891170\n2.234788 -2.356177 3.891170\n2.234788 2.356177 -3.891170\nSi O\n2 4\ndirect\n0.250000 0.000000 0.250000 Si\n0.750000 0.000000 0.750000 Si\n0.605820 0.914557 0.308737 O\n0.394180 0.085443 0.691263 O\n0.105820 0.297083 0.191263 O\n0.894180 0.702917 0.808737 O\n",
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"elements": [
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{
"id": "mp-864759",
"created_at": "2022-09-04T14:42:04.101344Z",
"structure_string": "Li1 Yb2 Ir1\n1.0\n0.000000 3.474640 3.474640\n3.474640 0.000000 3.474640\n3.474640 3.474640 0.000000\nLi Yb Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Ir\n",
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"volume": 83.89951310206668,
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"formula_full": "Li1 Yb2 Ir1",
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"updated_at": "2021-11-28T01:35:39.435000Z",
"spacegroup": 225
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{
"id": "mp-3882",
"created_at": "2022-09-04T14:42:07.014321Z",
"structure_string": "Sm1 Si2 Rh2\n1.0\n-2.047435 2.047435 5.055088\n2.047435 -2.047435 5.055088\n2.047435 2.047435 -5.055088\nSm Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.623162 0.623162 0.000000 Si\n0.376838 0.376838 0.000000 Si\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
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"updated_at": "2021-11-28T01:35:45.258000Z",
"spacegroup": 139
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{
"id": "mp-1103374",
"created_at": "2022-09-04T14:42:07.968402Z",
"structure_string": "Bi4 Os4 Se4\n1.0\n6.497006 0.000000 0.000000\n0.000000 6.625197 0.000000\n0.000000 2.625545 6.093495\nBi Os Se\n4 4 4\ndirect\n0.638497 0.856645 0.377502 Bi\n0.138497 0.143355 0.122498 Bi\n0.361503 0.143355 0.622498 Bi\n0.861503 0.856645 0.877502 Bi\n0.013079 0.702856 0.303605 Os\n0.513079 0.297144 0.196395 Os\n0.986921 0.297144 0.696395 Os\n0.486921 0.702856 0.803605 Os\n0.364031 0.646685 0.178575 Se\n0.864031 0.353315 0.321425 Se\n0.635969 0.353315 0.821425 Se\n0.135969 0.646685 0.678575 Se\n",
"nsites": 12,
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"density": 12.109138707232097,
"density_atomic": 0.04575122454412699,
"volume": 262.2880615670957,
"volume_molar": 13.16279688687164,
"formula_full": "Bi4 Os4 Se4",
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{
"id": "mp-31314",
"created_at": "2022-09-04T14:42:07.707332Z",
"structure_string": "K16 P8 Se24\n1.0\n12.615241 0.000000 0.000000\n0.000000 8.950228 0.000000\n0.000000 0.305570 14.055666\nK P Se\n16 8 24\ndirect\n0.264770 0.725321 0.078248 K\n0.564880 0.321884 0.187030 K\n0.935120 0.821884 0.187030 K\n0.789547 0.668286 0.561274 K\n0.064880 0.178116 0.812970 K\n0.764770 0.774679 0.921752 K\n0.735230 0.274679 0.921752 K\n0.235230 0.225321 0.078248 K\n0.289547 0.831714 0.438726 K\n0.210453 0.331714 0.438726 K\n0.710453 0.168286 0.561274 K\n0.897158 0.284332 0.294384 K\n0.397158 0.215668 0.705616 K\n0.102842 0.715668 0.705616 K\n0.435120 0.678116 0.812970 K\n0.602842 0.784332 0.294384 K\n0.992352 0.928867 0.432148 P\n0.007648 0.071133 0.567852 P\n0.507648 0.428867 0.432148 P\n0.528538 0.937411 0.068697 P\n0.028538 0.562589 0.931303 P\n0.471462 0.062589 0.931303 P\n0.971462 0.437411 0.068697 P\n0.492352 0.571133 0.567852 P\n0.676031 0.452915 0.389657 Se\n0.176031 0.047085 0.610343 Se\n0.323969 0.547085 0.610343 Se\n0.823969 0.952915 0.389657 Se\n0.465161 0.196505 0.468676 Se\n0.965161 0.303495 0.531324 Se\n0.534839 0.803495 0.531324 Se\n0.034839 0.696505 0.468676 Se\n0.400877 0.531346 0.324041 Se\n0.900877 0.968654 0.675959 Se\n0.599123 0.468654 0.675959 Se\n0.099123 0.031346 0.324041 Se\n0.083932 0.497467 0.182507 Se\n0.583932 0.002533 0.817493 Se\n0.916068 0.502533 0.817493 Se\n0.416068 0.997467 0.182507 Se\n0.970633 0.195411 0.039911 Se\n0.470633 0.304589 0.960089 Se\n0.029367 0.804589 0.960089 Se\n0.529367 0.695411 0.039911 Se\n0.809407 0.519736 0.097861 Se\n0.309407 0.980264 0.902139 Se\n0.190593 0.480264 0.902139 Se\n0.690593 0.019736 0.097861 Se\n",
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"formula_full": "K16 P8 Se24",
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{
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"structure_string": "K2 Pr1 Ag1 Br6\n1.0\n0.000000 5.750043 5.750043\n5.750043 0.000000 5.750043\n5.750043 5.750043 0.000000\nK Pr Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.751669 0.248331 0.248331 Br\n0.248331 0.248331 0.751669 Br\n0.248331 0.751669 0.751669 Br\n0.248331 0.751669 0.248331 Br\n0.751669 0.248331 0.751669 Br\n0.751669 0.751669 0.248331 Br\n",
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{
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{
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{
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}