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{
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{
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{
"id": "mp-28787",
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"structure_string": "Zn12 B6 Ir12\n1.0\n1.419152 -13.392750 0.000000\n1.419152 13.392750 0.000000\n0.000000 0.000000 10.293983\nZn B Ir\n12 6 12\ndirect\n0.088643 0.911357 0.119805 Zn\n0.911357 0.088643 0.880195 Zn\n0.911357 0.088643 0.619805 Zn\n0.088643 0.911357 0.380195 Zn\n0.239172 0.760828 0.610927 Zn\n0.760828 0.239172 0.389073 Zn\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.819705 0.180295 0.750000 Zn\n0.180295 0.819705 0.250000 Zn\n0.239172 0.760828 0.889073 Zn\n0.760828 0.239172 0.110927 Zn\n0.138513 0.861487 0.606325 B\n0.861487 0.138513 0.393675 B\n0.861487 0.138513 0.106325 B\n0.138513 0.861487 0.893675 B\n0.958912 0.041088 0.250000 B\n0.041088 0.958912 0.750000 B\n0.331441 0.668559 0.530593 Ir\n0.668559 0.331441 0.469407 Ir\n0.668559 0.331441 0.030593 Ir\n0.331441 0.668559 0.969407 Ir\n0.519139 0.480861 0.250000 Ir\n0.480861 0.519139 0.750000 Ir\n0.328701 0.671299 0.250000 Ir\n0.671299 0.328701 0.750000 Ir\n0.574692 0.425308 0.609145 Ir\n0.425308 0.574692 0.390855 Ir\n0.425308 0.574692 0.109145 Ir\n0.574692 0.425308 0.890855 Ir\n",
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{
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"structure_string": "Y1 Mg14 C1\n1.0\n6.567834 0.357159 0.000000\n-2.974608 5.152171 0.000000\n0.000000 0.000000 10.358151\nY Mg C\n1 14 1\ndirect\n0.102911 0.301455 0.125000 Y\n0.151316 0.325657 0.625000 Mg\n0.133143 0.816571 0.625000 Mg\n0.571933 0.269185 0.125000 Mg\n0.654929 0.330358 0.625000 Mg\n0.571933 0.802747 0.125000 Mg\n0.654929 0.824570 0.625000 Mg\n0.341663 0.174462 0.382257 Mg\n0.341663 0.174462 0.867743 Mg\n0.341663 0.667202 0.382257 Mg\n0.341663 0.667202 0.867743 Mg\n0.826397 0.163199 0.380834 Mg\n0.826397 0.163199 0.869166 Mg\n0.943002 0.721502 0.272099 Mg\n0.943002 0.721502 0.977901 Mg\n0.253456 0.876727 0.125000 C\n",
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"spacegroup": 38
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{
"id": "mp-20010",
"created_at": "2022-09-04T14:39:45.348563Z",
"structure_string": "Dy2 Cu2 Ge2\n1.0\n2.135319 -3.698481 0.000000\n2.135319 3.698481 0.000000\n0.000000 0.000000 7.197437\nDy Cu Ge\n2 2 2\ndirect\n0.000000 0.000000 0.760668 Dy\n0.000000 0.000000 0.260668 Dy\n0.666667 0.333333 0.547069 Cu\n0.333333 0.666667 0.047069 Cu\n0.333333 0.666667 0.484663 Ge\n0.666667 0.333333 0.984663 Ge\n",
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{
"id": "mp-567653",
"created_at": "2022-09-04T14:39:45.354678Z",
"structure_string": "Ti6 Ni8\n1.0\n3.649714 -5.607272 0.000000\n3.649714 5.607272 0.000000\n-4.965069 0.000000 4.484418\nTi Ni\n6 8\ndirect\n0.505546 0.108638 0.242621 Ti\n0.757379 0.494454 0.891362 Ti\n0.494454 0.891362 0.757379 Ti\n0.891362 0.757379 0.494454 Ti\n0.108638 0.242621 0.505546 Ti\n0.242621 0.505546 0.108638 Ti\n0.415476 0.256327 0.939730 Ni\n0.584524 0.743673 0.060270 Ni\n0.256327 0.939730 0.415476 Ni\n0.939730 0.415476 0.256327 Ni\n0.743673 0.060270 0.584524 Ni\n0.000000 0.000000 0.000000 Ni\n0.060270 0.584524 0.743673 Ni\n0.500000 0.500000 0.500000 Ni\n",
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{
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"structure_string": "Ho4 Sb4 Rh4\n1.0\n4.581110 0.000000 0.000000\n0.000000 7.155380 0.000000\n0.000000 0.000000 7.816118\nHo Sb Rh\n4 4 4\ndirect\n0.250000 0.510556 0.198857 Ho\n0.750000 0.489444 0.801143 Ho\n0.750000 0.989444 0.698857 Ho\n0.250000 0.010556 0.301143 Ho\n0.250000 0.689517 0.591698 Sb\n0.750000 0.310483 0.408302 Sb\n0.750000 0.810483 0.091698 Sb\n0.250000 0.189517 0.908302 Sb\n0.250000 0.799810 0.919052 Rh\n0.750000 0.200190 0.080948 Rh\n0.750000 0.700190 0.419052 Rh\n0.250000 0.299810 0.580948 Rh\n",
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{
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"structure_string": "H8 Se4 O12\n1.0\n5.114273 0.000000 0.000000\n0.000000 6.198194 0.000000\n0.000000 0.000000 9.338694\nH Se O\n8 4 12\ndirect\n0.092102 0.689876 0.295709 H\n0.592102 0.810124 0.704291 H\n0.907898 0.189876 0.204291 H\n0.407898 0.310124 0.795709 H\n0.435567 0.555505 0.133560 H\n0.935567 0.944495 0.866440 H\n0.564433 0.055505 0.366440 H\n0.064433 0.444495 0.633560 H\n0.137803 0.991177 0.452844 Se\n0.637803 0.508823 0.547156 Se\n0.862197 0.491177 0.047156 Se\n0.362197 0.008823 0.952844 Se\n0.888860 0.118149 0.370064 O\n0.118638 0.928822 0.827738 O\n0.881362 0.428822 0.672262 O\n0.381362 0.071178 0.327738 O\n0.397253 0.286181 0.904073 O\n0.897253 0.213819 0.095927 O\n0.602747 0.786181 0.595927 O\n0.102747 0.713819 0.404073 O\n0.111140 0.618149 0.129936 O\n0.611140 0.881851 0.870064 O\n0.618638 0.571178 0.172262 O\n0.388860 0.381851 0.629936 O\n",
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{
"id": "mp-780171",
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"structure_string": "Hg4 H40 N8 Cl16 O4\n1.0\n8.621605 0.000000 0.000000\n0.000000 9.299652 0.000000\n0.000000 0.000000 11.964803\nHg H N Cl O\n4 40 8 16 4\ndirect\n0.000000 0.278579 0.000000 Hg\n0.000000 0.721421 0.000000 Hg\n0.500000 0.721421 0.500000 Hg\n0.500000 0.278579 0.500000 Hg\n0.039519 0.500000 0.675760 H\n0.033973 0.089524 0.298420 H\n0.033973 0.910476 0.298420 H\n0.085489 0.196754 0.521953 H\n0.085489 0.803246 0.521953 H\n0.098582 0.409415 0.389965 H\n0.098582 0.590585 0.389965 H\n0.140390 0.500000 0.268100 H\n0.166978 0.000000 0.378130 H\n0.176594 0.000000 0.233714 H\n0.323406 0.000000 0.733714 H\n0.333022 0.000000 0.878130 H\n0.359610 0.500000 0.768100 H\n0.401418 0.409415 0.889965 H\n0.401418 0.590585 0.889965 H\n0.414511 0.196754 0.021953 H\n0.414511 0.803246 0.021953 H\n0.466027 0.089524 0.798420 H\n0.466027 0.910476 0.798420 H\n0.460481 0.500000 0.175760 H\n0.539519 0.500000 0.824240 H\n0.533973 0.089524 0.201580 H\n0.533973 0.910476 0.201580 H\n0.585489 0.196754 0.978047 H\n0.585489 0.803246 0.978047 H\n0.598582 0.409415 0.110035 H\n0.598582 0.590585 0.110035 H\n0.640390 0.500000 0.231900 H\n0.666978 0.000000 0.121870 H\n0.676594 0.000000 0.266286 H\n0.823406 0.000000 0.766286 H\n0.833022 0.000000 0.621870 H\n0.859610 0.500000 0.731900 H\n0.901418 0.409415 0.610035 H\n0.901418 0.590585 0.610035 H\n0.914511 0.196754 0.478047 H\n0.914511 0.803246 0.478047 H\n0.966027 0.089524 0.701580 H\n0.966027 0.910476 0.701580 H\n0.960481 0.500000 0.324240 H\n0.077165 0.500000 0.342447 N\n0.104248 0.000000 0.303576 N\n0.395752 0.000000 0.803576 N\n0.422835 0.500000 0.842447 N\n0.577165 0.500000 0.157553 N\n0.604248 0.000000 0.196424 N\n0.895752 0.000000 0.696424 N\n0.922835 0.500000 0.657553 N\n0.117334 0.249318 0.818977 Cl\n0.117334 0.750682 0.818977 Cl\n0.201715 0.500000 0.079756 Cl\n0.241748 0.000000 0.557958 Cl\n0.258252 0.000000 0.057958 Cl\n0.298285 0.500000 0.579756 Cl\n0.382666 0.249318 0.318977 Cl\n0.382666 0.750682 0.318977 Cl\n0.617334 0.249318 0.681023 Cl\n0.617334 0.750682 0.681023 Cl\n0.701715 0.500000 0.420244 Cl\n0.741748 0.000000 0.942042 Cl\n0.758252 0.000000 0.442042 Cl\n0.798285 0.500000 0.920244 Cl\n0.882666 0.249318 0.181023 Cl\n0.882666 0.750682 0.181023 Cl\n0.000000 0.261718 0.500000 O\n0.000000 0.738282 0.500000 O\n0.500000 0.738282 0.000000 O\n0.500000 0.261718 0.000000 O\n",
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{
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{
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}