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{
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{
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},
{
"id": "mp-16085",
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"structure_string": "Nd6 Co58 Si8 B20\n1.0\n11.177082 0.000000 0.000000\n0.000000 11.177082 0.000000\n0.000000 0.000000 7.851189\nNd Co Si B\n6 58 8 20\ndirect\n0.250000 0.750000 0.000000 Nd\n0.250000 0.250000 0.000000 Nd\n0.750000 0.750000 0.000000 Nd\n0.750000 0.250000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.500000 0.500000 0.500000 Nd\n0.338218 0.675014 0.337214 Co\n0.274561 0.000000 0.525328 Co\n0.500000 0.774561 0.525328 Co\n0.500000 0.225439 0.525328 Co\n0.836351 0.500000 0.971549 Co\n0.000000 0.663649 0.971549 Co\n0.000000 0.336351 0.971549 Co\n0.163649 0.500000 0.971549 Co\n0.663649 0.000000 0.028451 Co\n0.336351 0.000000 0.028451 Co\n0.500000 0.836351 0.028451 Co\n0.500000 0.163649 0.028451 Co\n0.886225 0.386225 0.252453 Co\n0.886225 0.613775 0.252453 Co\n0.113775 0.386225 0.252453 Co\n0.113775 0.613775 0.252453 Co\n0.613775 0.886225 0.747547 Co\n0.386225 0.113775 0.747547 Co\n0.386225 0.886225 0.747547 Co\n0.613775 0.113775 0.747547 Co\n0.890534 0.390534 0.698229 Co\n0.890534 0.609466 0.698229 Co\n0.109466 0.390534 0.698229 Co\n0.109466 0.609466 0.698229 Co\n0.609466 0.890534 0.301771 Co\n0.390534 0.109466 0.301771 Co\n0.390534 0.890534 0.301771 Co\n0.609466 0.109466 0.301771 Co\n0.338218 0.324986 0.337214 Co\n0.824986 0.161782 0.337214 Co\n0.175014 0.838218 0.337214 Co\n0.661782 0.675014 0.337214 Co\n0.161782 0.824986 0.662786 Co\n0.838218 0.175014 0.662786 Co\n0.324986 0.338218 0.662786 Co\n0.610241 0.500000 0.888909 Co\n0.161782 0.175014 0.662786 Co\n0.675014 0.338218 0.662786 Co\n0.324986 0.661782 0.662786 Co\n0.838218 0.824986 0.662786 Co\n0.725439 0.000000 0.525328 Co\n0.000000 0.889759 0.888909 Co\n0.175014 0.161782 0.337214 Co\n0.824986 0.838218 0.337214 Co\n0.000000 0.110241 0.888909 Co\n0.389759 0.500000 0.888909 Co\n0.500000 0.000000 0.531222 Co\n0.000000 0.500000 0.468778 Co\n0.110241 0.000000 0.111091 Co\n0.225439 0.500000 0.474672 Co\n0.000000 0.274561 0.474672 Co\n0.000000 0.725439 0.474672 Co\n0.774561 0.500000 0.474672 Co\n0.500000 0.610241 0.111091 Co\n0.500000 0.389759 0.111091 Co\n0.889759 0.000000 0.111091 Co\n0.675014 0.661782 0.662786 Co\n0.661782 0.324986 0.337214 Co\n0.500000 0.681487 0.824215 Si\n0.318513 0.500000 0.175785 Si\n0.000000 0.181487 0.175785 Si\n0.000000 0.818513 0.175785 Si\n0.681487 0.500000 0.175785 Si\n0.181487 0.000000 0.824215 Si\n0.818513 0.000000 0.824215 Si\n0.500000 0.318513 0.824215 Si\n0.686179 0.186179 0.517668 B\n0.313821 0.813821 0.517668 B\n0.313821 0.186179 0.517668 B\n0.686179 0.813821 0.517668 B\n0.186179 0.686179 0.482332 B\n0.186179 0.313821 0.482332 B\n0.500000 0.255870 0.261928 B\n0.500000 0.744130 0.261928 B\n0.244130 0.000000 0.261928 B\n0.755870 0.000000 0.261928 B\n0.255870 0.500000 0.738072 B\n0.000000 0.244130 0.738072 B\n0.000000 0.755870 0.738072 B\n0.744130 0.500000 0.738072 B\n0.500000 0.000000 0.148547 B\n0.000000 0.500000 0.851453 B\n0.500000 0.000000 0.893116 B\n0.000000 0.500000 0.106884 B\n0.813821 0.686179 0.482332 B\n0.813821 0.313821 0.482332 B\n",
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"elements": [
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],
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"volume": 980.8267603682427,
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"formula_full": "Nd6 Co58 Si8 B20",
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"spacegroup": 129
},
{
"id": "mp-23403",
"created_at": "2022-09-04T14:39:06.562941Z",
"structure_string": "Sb16 I16 F80\n1.0\n16.457678 0.000000 0.000000\n0.000000 8.560844 0.000000\n0.000000 2.862381 16.816793\nSb I F\n16 16 80\ndirect\n0.219234 0.136941 0.274850 Sb\n0.719234 0.863059 0.225150 Sb\n0.780766 0.863059 0.725150 Sb\n0.280766 0.136941 0.774850 Sb\n0.240158 0.022405 0.033351 Sb\n0.740158 0.977595 0.466649 Sb\n0.759842 0.977595 0.966649 Sb\n0.259842 0.022405 0.533351 Sb\n0.994833 0.912534 0.268967 Sb\n0.494833 0.087466 0.231033 Sb\n0.005167 0.087466 0.731033 Sb\n0.505167 0.912534 0.768967 Sb\n0.286055 0.586056 0.302805 Sb\n0.786055 0.413944 0.197195 Sb\n0.713945 0.413944 0.697195 Sb\n0.213945 0.586056 0.802805 Sb\n0.507647 0.730031 0.520002 I\n0.007647 0.269969 0.979998 I\n0.492353 0.269969 0.479998 I\n0.992353 0.730031 0.020002 I\n0.584590 0.498162 0.405655 I\n0.084590 0.501838 0.094345 I\n0.415410 0.501838 0.594345 I\n0.915410 0.498162 0.905655 I\n0.518906 0.652131 0.085538 I\n0.018906 0.347869 0.414462 I\n0.481094 0.347869 0.914462 I\n0.981094 0.652131 0.585538 I\n0.384145 0.569709 0.021932 I\n0.884145 0.430291 0.478068 I\n0.615855 0.430291 0.978068 I\n0.115855 0.569709 0.521932 I\n0.174295 0.280131 0.182593 F\n0.674295 0.719869 0.317407 F\n0.825705 0.719869 0.817407 F\n0.325705 0.280131 0.682593 F\n0.249708 0.995244 0.647499 F\n0.749708 0.004756 0.852501 F\n0.750292 0.004756 0.352501 F\n0.250292 0.995244 0.147499 F\n0.280828 0.805230 0.311666 F\n0.780828 0.194770 0.188334 F\n0.719172 0.194770 0.688334 F\n0.219172 0.805230 0.811666 F\n0.242942 0.245445 0.524746 F\n0.742942 0.754555 0.975254 F\n0.757058 0.754555 0.475254 F\n0.257058 0.245445 0.024746 F\n0.375988 0.055564 0.544527 F\n0.875988 0.944436 0.955473 F\n0.624012 0.944436 0.455473 F\n0.124012 0.055564 0.044527 F\n0.139748 0.224080 0.342038 F\n0.639748 0.775920 0.157962 F\n0.860252 0.775920 0.657962 F\n0.360252 0.224080 0.842038 F\n0.289562 0.353796 0.296630 F\n0.789562 0.646204 0.203370 F\n0.710438 0.646204 0.703370 F\n0.210438 0.353796 0.796630 F\n0.113007 0.974236 0.260720 F\n0.613007 0.025764 0.239280 F\n0.886993 0.025764 0.739280 F\n0.386993 0.974236 0.760720 F\n0.276711 0.049873 0.419081 F\n0.776711 0.950127 0.080919 F\n0.723289 0.950127 0.580919 F\n0.223289 0.049873 0.919081 F\n0.146677 0.986951 0.520455 F\n0.646677 0.013049 0.979545 F\n0.853323 0.013049 0.479545 F\n0.353323 0.986951 0.020455 F\n0.280681 0.800325 0.540570 F\n0.780681 0.199675 0.959430 F\n0.719319 0.199675 0.459430 F\n0.219319 0.800325 0.040570 F\n0.974897 0.100936 0.311707 F\n0.474897 0.899064 0.188293 F\n0.025103 0.899064 0.688293 F\n0.525103 0.100936 0.811707 F\n0.018242 0.798976 0.372561 F\n0.518242 0.201024 0.127439 F\n0.981758 0.201024 0.627439 F\n0.481758 0.798976 0.872561 F\n0.021847 0.729402 0.224274 F\n0.521847 0.270598 0.275726 F\n0.978153 0.270598 0.775726 F\n0.478153 0.729402 0.724274 F\n0.378673 0.552624 0.370763 F\n0.878673 0.447376 0.129237 F\n0.621327 0.447376 0.629237 F\n0.121327 0.552624 0.870763 F\n0.979818 0.027819 0.164056 F\n0.479818 0.972181 0.335944 F\n0.020182 0.972181 0.835944 F\n0.520182 0.027819 0.664056 F\n0.382459 0.148292 0.221401 F\n0.882459 0.851708 0.278599 F\n0.617541 0.851708 0.778599 F\n0.117541 0.148292 0.721401 F\n0.691941 0.400121 0.263184 F\n0.191941 0.599879 0.236816 F\n0.308059 0.599879 0.736816 F\n0.808059 0.400121 0.763184 F\n0.717876 0.471020 0.105184 F\n0.217876 0.528980 0.394816 F\n0.282124 0.528980 0.894816 F\n0.782124 0.471020 0.605184 F\n0.854502 0.380369 0.288453 F\n0.354502 0.619631 0.211547 F\n0.145498 0.619631 0.711547 F\n0.645498 0.380369 0.788453 F\n",
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{
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"structure_string": "Ba32 Ga8 N24 O8\n1.0\n7.987433 0.000000 0.000000\n0.000000 8.025366 0.000000\n0.000000 0.000000 25.011590\nBa Ga N O\n32 8 24 8\ndirect\n0.165991 0.857439 0.436821 Ba\n0.834009 0.357439 0.063179 Ba\n0.334009 0.142561 0.936821 Ba\n0.665991 0.642561 0.563179 Ba\n0.834009 0.142561 0.563179 Ba\n0.165991 0.642561 0.936821 Ba\n0.665991 0.857439 0.063179 Ba\n0.334009 0.357439 0.436821 Ba\n0.357449 0.518938 0.061206 Ba\n0.642551 0.018938 0.438794 Ba\n0.142551 0.481062 0.561206 Ba\n0.857449 0.981062 0.938794 Ba\n0.642551 0.481062 0.938794 Ba\n0.357449 0.981062 0.561206 Ba\n0.857449 0.518938 0.438794 Ba\n0.142551 0.018938 0.061206 Ba\n0.263359 0.953141 0.266457 Ba\n0.736641 0.453141 0.233543 Ba\n0.236641 0.046859 0.766457 Ba\n0.763359 0.546859 0.733543 Ba\n0.736641 0.046859 0.733543 Ba\n0.263359 0.546859 0.766457 Ba\n0.763359 0.953141 0.233543 Ba\n0.236641 0.453141 0.266457 Ba\n0.040533 0.691156 0.149727 Ba\n0.959467 0.191156 0.350273 Ba\n0.459467 0.308844 0.649727 Ba\n0.540533 0.808844 0.850273 Ba\n0.959467 0.308844 0.850273 Ba\n0.040533 0.808844 0.649727 Ba\n0.540533 0.691156 0.350273 Ba\n0.459467 0.191156 0.149727 Ba\n0.484376 0.706300 0.171455 Ga\n0.515624 0.206300 0.328545 Ga\n0.015624 0.293700 0.671455 Ga\n0.984376 0.793700 0.828545 Ga\n0.515624 0.293700 0.828545 Ga\n0.484376 0.793700 0.671455 Ga\n0.984376 0.706300 0.328545 Ga\n0.015624 0.206300 0.171455 Ga\n0.138824 0.574450 0.372332 N\n0.861176 0.074450 0.127668 N\n0.361176 0.425550 0.872332 N\n0.638824 0.925550 0.627668 N\n0.861176 0.425550 0.627668 N\n0.138824 0.925550 0.872332 N\n0.638824 0.574450 0.127668 N\n0.361176 0.074450 0.372332 N\n0.348850 0.860983 0.131949 N\n0.651150 0.360983 0.368051 N\n0.151150 0.139017 0.631949 N\n0.848850 0.639017 0.868051 N\n0.651150 0.139017 0.868051 N\n0.348850 0.639017 0.631949 N\n0.848850 0.860983 0.368051 N\n0.151150 0.360983 0.131949 N\n0.491239 0.691393 0.247219 N\n0.508761 0.191393 0.252781 N\n0.008761 0.308607 0.747219 N\n0.991239 0.808607 0.752781 N\n0.508761 0.308607 0.752781 N\n0.491239 0.808607 0.747219 N\n0.991239 0.691393 0.252781 N\n0.008761 0.191393 0.247219 N\n0.974325 0.768338 0.025338 O\n0.025675 0.268338 0.474662 O\n0.525675 0.231662 0.525338 O\n0.474325 0.731662 0.974662 O\n0.025675 0.231662 0.974662 O\n0.974325 0.731662 0.525338 O\n0.474325 0.768338 0.474662 O\n0.525675 0.268338 0.025338 O\n",
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},
{
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"structure_string": "Eu2 Ta2 O8\n1.0\n5.632070 3.581244 0.000000\n-5.632070 3.581244 0.000000\n0.000000 3.292252 3.958528\nEu Ta O\n2 2 8\ndirect\n0.633354 0.366646 0.750000 Eu\n0.366646 0.633354 0.250000 Eu\n0.097456 0.902544 0.750000 Ta\n0.902544 0.097456 0.250000 Ta\n0.796064 0.735594 0.205760 O\n0.264406 0.203936 0.294240 O\n0.203936 0.264406 0.794240 O\n0.735594 0.796064 0.705760 O\n0.359184 0.944395 0.837744 O\n0.055605 0.640816 0.662256 O\n0.640816 0.055605 0.162256 O\n0.944395 0.359184 0.337744 O\n",
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