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{
"id": "jvasp-103867",
"created_at": "2022-09-04T14:36:43.818300Z",
"updated_at": "2022-09-04T14:36:43.818317Z",
"structure_string": "Sn1 H24 C13 O4\n1.0\n4.901474 -0.021617 -0.528824\n-0.650597 6.813488 -2.101729\n-0.021207 -0.200466 11.070327\nSn H C O\n1 24 13 4\ndirect\n0.417155 0.594667 0.888376 Sn\n0.968391 0.806127 0.539257 H\n0.309699 0.539322 0.635295 H\n0.173618 0.763429 0.724450 H\n0.475477 0.685977 0.144143 H\n0.121630 0.602999 0.079237 H\n0.884413 0.866861 0.398214 H\n0.999245 0.525169 0.705517 H\n0.524252 0.079229 0.515982 H\n0.874183 0.166936 0.574524 H\n0.875544 0.037167 0.750678 H\n0.538103 0.910204 0.693064 H\n0.367469 0.425476 0.071372 H\n0.006656 0.181766 0.366616 H\n0.705045 0.095811 0.255569 H\n0.419750 0.710681 0.511901 H\n0.439122 0.690946 0.351379 H\n0.014073 0.510577 0.330296 H\n0.147383 0.992034 0.163694 H\n0.711472 0.428721 0.220663 H\n0.086382 0.116550 0.972431 H\n0.826200 0.259332 0.042080 H\n0.764246 0.468211 0.506036 H\n0.464867 0.367793 0.396206 H\n0.258259 0.242292 0.193923 H\n0.560436 0.683184 0.439208 C\n0.648440 0.474773 0.416642 C\n0.822780 0.410623 0.307428 C\n0.930856 0.127066 0.037199 C\n0.073837 0.136387 0.170695 C\n0.895321 0.197606 0.278852 C\n0.725339 0.948423 0.982487 C\n0.715140 0.046132 0.563987 C\n0.799792 0.848429 0.482384 C\n0.547997 0.220890 0.772038 C\n0.197882 0.609066 0.715050 C\n0.334874 0.574125 0.069345 C\n0.673702 0.040921 0.699356 C\n0.709878 0.385333 0.822979 O\n0.814412 0.775604 0.938932 O\n0.469803 0.957884 0.979684 O\n0.295643 0.221102 0.780586 O\n",
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"formula_full": "Sn1 H24 C13 O4",
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{
"id": "jvasp-101723",
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"updated_at": "2022-09-04T14:36:43.821140Z",
"structure_string": "Fe4 Se3 Br1\n1.0\n4.789061 -0.015472 -4.571491\n-0.887350 4.706161 -4.571491\n0.012870 0.015472 6.620685\nFe Se Br\n4 3 1\ndirect\n0.249025 0.249025 0.497183 Fe\n0.751843 0.751843 0.502818 Fe\n0.249025 0.751843 0.000000 Fe\n0.751843 0.249025 0.000000 Fe\n0.873107 0.873107 0.000000 Se\n0.626763 0.126763 0.500000 Se\n0.126763 0.626763 0.500000 Se\n0.371629 0.371629 0.000000 Br\n",
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"density": 5.987499864535931,
"density_atomic": 0.053402399267151505,
"volume": 149.80600328421764,
"volume_molar": 11.276910480882263,
"formula_full": "Fe4 Se3 Br1",
"formula_reduced": "Fe4Se3Br",
"formula_anonymous": "AB3C4",
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"spacegroup": 107
},
{
"id": "jvasp-101389",
"created_at": "2022-09-04T14:36:43.834025Z",
"updated_at": "2022-09-04T14:36:43.834043Z",
"structure_string": "Ba2 Zn1 Hg1\n1.0\n5.051442 0.000000 2.916451\n1.683814 4.762546 2.916451\n-0.000000 0.000000 5.832903\nBa Zn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750001 0.749999 Ba\n0.000000 0.000000 0.000000 Zn\n0.499999 0.500000 0.500000 Hg\n",
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"spacegroup": 225
},
{
"id": "jvasp-103672",
"created_at": "2022-09-04T14:36:43.834334Z",
"updated_at": "2022-09-04T14:36:43.834374Z",
"structure_string": "V1 Cr1\n1.0\n2.543366 -0.016841 0.000000\n-0.868190 2.390657 0.000000\n-0.000000 -0.000000 4.038500\nV Cr\n1 1\ndirect\n0.500001 0.500001 0.500000 V\n0.000000 0.000000 0.000000 Cr\n",
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{
"id": "jvasp-104620",
"created_at": "2022-09-04T14:36:43.837218Z",
"updated_at": "2022-09-04T14:36:43.837246Z",
"structure_string": "Tb1 Er1 Hg2\n1.0\n4.522235 -0.000000 2.610913\n1.507412 4.263604 2.610913\n-0.000000 -0.000000 5.221827\nTb Er Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.499999 0.500000 0.500000 Er\n0.250000 0.250000 0.250000 Hg\n0.749999 0.749999 0.750000 Hg\n",
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{
"id": "jvasp-76260",
"created_at": "2022-09-04T14:36:43.840639Z",
"updated_at": "2022-09-04T14:36:43.840671Z",
"structure_string": "K4 Rb2 Pt2\n1.0\n-0.000000 -0.000000 5.354206\n7.482535 0.000000 0.000000\n0.000000 7.482535 0.000000\nK Rb Pt\n4 2 2\ndirect\n0.500000 0.677672 0.177673 K\n0.500000 0.322327 0.822327 K\n0.500000 0.822327 0.677672 K\n0.500000 0.177673 0.322327 K\n0.000000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Pt\n0.000000 0.500000 0.000000 Pt\n",
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{
"id": "jvasp-102699",
"created_at": "2022-09-04T14:36:43.840840Z",
"updated_at": "2022-09-04T14:36:43.840848Z",
"structure_string": "Nd2 Cd1 Sb4\n1.0\n4.377697 0.000000 0.000000\n0.000000 4.377697 0.000000\n-0.000000 0.000000 10.836353\nNd Cd Sb\n2 1 4\ndirect\n0.500000 -0.000000 0.764252 Nd\n-0.000000 0.500000 0.235748 Nd\n0.500000 0.500000 0.500000 Cd\n0.500000 -0.000000 0.327389 Sb\n-0.000000 0.500000 0.672610 Sb\n0.500000 0.500000 -0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n",
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"formula_full": "Nd2 Cd1 Sb4",
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{
"id": "jvasp-100723",
"created_at": "2022-09-04T14:36:43.846739Z",
"updated_at": "2022-09-04T14:36:43.846766Z",
"structure_string": "Ho2 Zn1 Au1\n1.0\n4.347631 -0.000000 2.510106\n1.449210 4.098986 2.510106\n-0.000000 -0.000000 5.020212\nHo Zn Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.749999 0.750001 0.750001 Ho\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Au\n",
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{
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"created_at": "2022-09-04T14:36:43.847964Z",
"updated_at": "2022-09-04T14:36:43.847981Z",
"structure_string": "Cr1 Cu3 Hg1 Se4\n1.0\n5.919983 0.000000 0.000000\n0.000000 5.919983 0.000000\n-0.000000 -0.000000 5.919983\nCr Cu Hg Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.500000 0.500000 0.500000 Hg\n0.226074 0.226074 0.226074 Se\n0.773926 0.773926 0.226074 Se\n0.226074 0.773926 0.773926 Se\n0.773926 0.226074 0.773926 Se\n",
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{
"id": "jvasp-15904",
"created_at": "2022-09-04T14:36:43.862017Z",
"updated_at": "2022-09-04T14:36:43.862043Z",
"structure_string": "Mn1 Sb1 Ir1\n1.0\n3.745002 -0.000000 2.162178\n1.248334 3.530822 2.162178\n-0.000000 -0.000000 4.324356\nMn Sb Ir\n1 1 1\ndirect\n0.499999 0.500000 0.500002 Mn\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250001 Ir\n",
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{
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"created_at": "2022-09-04T14:36:43.864132Z",
"updated_at": "2022-09-04T14:36:43.864167Z",
"structure_string": "Rb2 Cu2 O4\n1.0\n4.408917 0.000000 -1.753296\n0.000000 5.502343 0.000000\n0.008478 0.000000 6.441396\nRb Cu O\n2 2 4\ndirect\n0.306413 0.750000 0.612825 Rb\n0.693588 0.250000 0.387175 Rb\n0.997537 0.250000 0.995073 Cu\n0.002464 0.750000 0.004927 Cu\n0.897340 0.504395 0.794680 O\n0.102661 0.495604 0.205320 O\n0.897340 0.995604 0.794680 O\n0.102661 0.004396 0.205320 O\n",
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{
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]
}