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{
"id": "mp-1207321",
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"structure_string": "Pr2 Cu1 Sb3\n1.0\n10.074944 0.000000 0.000000\n0.000000 10.074944 0.000000\n0.000000 0.000000 41.747216\nPr Cu Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243344 Pr\n0.500000 0.500000 0.756656 Pr\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.691321 Sb\n0.500000 0.500000 0.308679 Sb\n0.500000 0.500000 0.000000 Sb\n",
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{
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{
"id": "mp-685283",
"created_at": "2022-09-04T14:44:02.543283Z",
"structure_string": "Ag13 Bi15 I64\n1.0\n7.701419 0.148423 4.720454\n2.664719 7.479040 4.793566\n0.438762 1.048271 74.712989\nAg Bi I\n13 15 64\ndirect\n0.506595 0.001439 0.998659 Ag\n0.486225 0.993708 0.128346 Ag\n0.457042 0.993267 0.255233 Ag\n0.489464 0.002298 0.376938 Ag\n0.004107 0.482846 0.377922 Ag\n0.004307 0.513532 0.622520 Ag\n0.499871 0.999879 0.499999 Ag\n0.998988 0.500887 0.499925 Ag\n0.514765 0.002383 0.622470 Ag\n0.006412 0.524800 0.870367 Ag\n0.525503 0.002851 0.745649 Ag\n0.006951 0.521042 0.745871 Ag\n0.528680 0.999969 0.870466 Ag\n0.994862 0.004728 0.999413 Bi\n0.993641 0.509489 0.998738 Bi\n0.004076 0.490080 0.126373 Bi\n0.993357 0.006458 0.062423 Bi\n-0.000469 0.960129 0.315979 Bi\n0.007518 0.991095 0.126582 Bi\n0.993952 0.472050 0.253717 Bi\n0.985827 0.989893 0.195418 Bi\n0.994161 0.000195 0.437981 Bi\n0.004631 0.003495 0.562451 Bi\n0.007411 0.010072 0.682149 Bi\n0.000105 0.997255 0.873391 Bi\n0.012206 0.014568 0.933057 Bi\n0.000820 0.997812 0.747802 Bi\n0.002724 0.005006 0.809212 Bi\n0.249564 0.241161 0.029573 I\n0.242061 0.251041 0.095433 I\n0.237049 0.776257 0.030814 I\n0.728596 0.287399 0.030890 I\n0.258704 0.248046 0.153933 I\n0.255261 0.740527 0.096253 I\n0.755595 0.224215 0.094831 I\n0.758350 0.756658 0.029330 I\n0.277822 0.246706 0.221585 I\n0.256880 0.760714 0.154428 I\n0.752060 0.254088 0.154400 I\n0.753773 0.760855 0.094810 I\n0.236372 0.265478 0.281723 I\n0.257982 0.756981 0.217792 I\n0.755058 0.238270 0.218804 I\n0.758690 0.745801 0.154936 I\n0.244909 0.247346 0.352827 I\n0.237518 0.761926 0.282638 I\n0.751493 0.252566 0.281524 I\n0.766876 0.750812 0.217498 I\n0.236424 0.246045 0.411154 I\n0.227825 0.724641 0.346012 I\n0.742732 0.763929 0.275528 I\n0.725062 0.205199 0.347257 I\n0.249689 0.254959 0.476472 I\n0.269220 0.783374 0.404504 I\n0.766808 0.265188 0.406094 I\n0.757367 0.748879 0.340105 I\n0.245008 0.238615 0.535630 I\n0.220023 0.722022 0.471413 I\n0.729748 0.212972 0.471272 I\n0.743450 0.742153 0.399331 I\n0.256611 0.260160 0.600353 I\n0.271508 0.786910 0.528506 I\n0.779449 0.278810 0.528501 I\n0.756727 0.760405 0.464255 I\n0.243337 0.239023 0.657740 I\n0.239842 0.740239 0.593155 I\n0.242279 0.242231 0.723701 I\n0.745017 0.230390 0.593501 I\n0.748996 0.744917 0.523688 I\n0.259059 0.773185 0.655123 I\n0.762825 0.263292 0.655433 I\n0.753788 0.757001 0.591069 I\n0.236928 0.238311 0.779749 I\n0.255197 0.760196 0.719840 I\n0.240781 0.241976 0.849110 I\n0.757905 0.252421 0.719717 I\n0.758886 0.752257 0.646821 I\n0.236631 0.750192 0.783850 I\n0.743605 0.235921 0.783648 I\n0.754559 0.753931 0.720396 I\n0.239970 0.245846 0.904817 I\n0.254474 0.760207 0.844946 I\n0.757640 0.250566 0.844566 I\n0.755303 0.758061 0.776829 I\n0.239234 0.243596 0.970792 I\n0.237600 0.753942 0.907556 I\n0.745000 0.238479 0.908184 I\n0.749074 0.748807 0.846406 I\n0.258801 0.725000 0.967207 I\n0.754812 0.230222 0.969221 I\n0.753769 0.759460 0.902699 I\n0.738690 0.757997 0.970780 I\n",
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{
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{
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0.708692 Pb\n0.865024 0.618199 0.514025 Pb\n0.634976 0.118199 0.014025 Pb\n0.660218 0.781779 0.191827 Pb\n0.174965 0.273272 0.704942 Pb\n0.825035 0.726728 0.295058 Pb\n0.325035 0.773272 0.204942 Pb\n0.905065 0.927856 0.868927 Pb\n0.000160 0.813053 0.611298 Pb\n0.499840 0.313053 0.111298 Pb\n0.733020 0.143341 0.459621 Pb\n0.405065 0.572144 0.631073 Pb\n0.134976 0.381801 0.485975 Pb\n0.914643 0.555508 0.631940 S\n0.444321 0.141479 0.014073 S\n0.633917 0.370406 0.488938 S\n0.911841 0.972501 0.314406 S\n0.908314 0.064848 0.626150 S\n0.251181 0.483428 0.278264 S\n0.973251 0.757323 0.754737 S\n0.280224 0.689364 0.919129 S\n0.588159 0.472501 0.814406 S\n0.328564 0.286459 0.656187 S\n0.375002 0.734472 0.332728 S\n0.472862 0.267601 0.748383 S\n0.439407 0.601806 0.011278 S\n0.408314 0.435152 0.873850 S\n0.249471 0.987978 0.276790 S\n0.527138 0.732399 0.251617 S\n0.751181 0.016572 0.221736 S\n0.793209 0.447020 0.402179 S\n0.375255 0.185093 0.326918 S\n0.750529 0.012022 0.723210 S\n0.473251 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{
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"elements": [
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],
"chemical_system": "Al-Ba-Sb",
"density": 5.182237728287287,
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"volume": 4215.460322044558,
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"formula_full": "Ba56 Al4 Sb44",
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"updated_at": "2021-11-28T01:36:27.594000Z",
"spacegroup": 142
},
{
"id": "mp-532211",
"created_at": "2022-09-04T14:43:39.340700Z",
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],
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"updated_at": "2021-11-28T01:36:16.197000Z",
"spacegroup": 45
},
{
"id": "mp-1179627",
"created_at": "2022-09-04T14:39:26.052016Z",
"structure_string": "Zn16 N32 Cl64\n1.0\n12.813624 0.000000 -0.142605\n0.000000 8.823028 0.000000\n-0.394877 0.000000 37.197112\nZn N Cl\n16 32 64\ndirect\n0.236704 0.059897 0.479557 Zn\n0.236704 0.940103 0.979557 Zn\n0.247639 0.042423 0.721012 Zn\n0.247639 0.957577 0.221012 Zn\n0.650111 0.125127 0.600130 Zn\n0.650111 0.874873 0.100130 Zn\n0.564719 0.983620 0.854195 Zn\n0.564719 0.016380 0.354195 Zn\n0.853251 0.486824 0.011005 Zn\n0.853251 0.513176 0.511005 Zn\n0.773311 0.392120 0.779149 Zn\n0.773311 0.607880 0.279149 Zn\n0.079298 0.495481 0.898032 Zn\n0.079298 0.504519 0.398032 Zn\n0.233994 0.512820 0.598076 Zn\n0.233994 0.487180 0.098076 Zn\n0.126851 0.013012 0.820438 N\n0.126851 0.986988 0.320438 N\n0.089284 0.929097 0.582075 N\n0.089284 0.070903 0.082075 N\n0.813868 0.015279 0.927419 N\n0.813868 0.984721 0.427419 N\n0.825944 -0.005843 0.700278 N\n0.825944 0.005843 0.200278 N\n0.298886 0.968906 0.668435 N\n0.298886 0.031094 0.168434 N\n0.334121 0.078295 0.944395 N\n0.334121 0.921705 0.444395 N\n0.629271 0.062330 0.543223 N\n0.629271 0.937670 0.043223 N\n0.525528 0.951510 0.780983 N\n0.525528 0.048489 0.280983 N\n0.621774 0.502672 0.676219 N\n0.621774 0.497328 0.176219 N\n0.595362 0.499909 0.944444 N\n0.595362 0.500091 0.444444 N\n0.348993 0.538860 0.556381 N\n0.348993 0.461140 0.056381 N\n0.308521 0.531419 0.823179 N\n0.308521 0.468581 0.323179 N\n0.816593 0.571973 0.816748 N\n0.816593 0.428027 0.316748 N\n0.689983 0.540211 0.582775 N\n0.689983 0.459789 0.082775 N\n0.110858 0.509300 0.956496 N\n0.110858 0.490700 0.456496 N\n0.095298 0.422106 0.701548 N\n0.095298 0.577894 0.201548 N\n0.220124 0.967270 0.584999 Cl\n0.220124 0.032730 0.084999 Cl\n0.112228 0.910346 0.489034 Cl\n0.112228 0.089654 0.989034 Cl\n0.329759 0.257573 0.486215 Cl\n0.329759 0.742427 0.986215 Cl\n0.403804 0.778028 0.453721 Cl\n0.403804 0.221972 0.953721 Cl\n0.248901 0.001897 0.831235 Cl\n0.248901 -0.001897 0.331235 Cl\n0.135239 0.872964 0.729325 Cl\n0.135239 0.127036 0.229325 Cl\n0.347391 0.228382 0.729691 Cl\n0.347391 0.771618 0.229691 Cl\n0.473584 0.815414 0.758595 Cl\n0.473584 0.184586 0.258595 Cl\n0.701755 0.019743 0.703013 Cl\n0.701755 0.980257 0.203013 Cl\n0.813361 0.121108 0.604407 Cl\n0.813361 0.878892 0.104407 Cl\n0.611676 0.676553 0.591051 Cl\n0.611676 0.323447 0.091051 Cl\n0.491296 0.133741 0.613444 Cl\n0.491296 0.866259 0.113444 Cl\n0.691618 0.974837 0.941504 Cl\n0.691618 0.025163 0.441504 Cl\n0.814024 0.048666 0.882064 Cl\n0.814024 0.951334 0.382064 Cl\n0.588371 0.748864 0.854402 Cl\n0.588371 0.251136 0.354402 Cl\n0.529082 0.211533 0.863203 Cl\n0.529082 0.788467 0.363203 Cl\n0.713568 0.493288 0.925308 Cl\n0.713568 0.506712 0.425308 Cl\n0.605599 0.553430 0.988760 Cl\n0.605599 0.446570 0.488760 Cl\n0.890736 0.714330 0.003721 Cl\n0.890736 0.285670 0.503721 Cl\n0.825826 0.254817 0.015811 Cl\n0.825826 0.745183 0.515811 Cl\n0.746225 0.515838 0.682790 Cl\n0.746225 0.484162 0.182790 Cl\n0.609975 0.409015 0.772428 Cl\n0.609975 0.590985 0.272428 Cl\n0.861131 0.733182 0.806624 Cl\n0.861131 0.266818 0.306624 Cl\n0.920797 0.297887 0.767621 Cl\n0.920797 0.702113 0.267621 Cl\n0.188640 0.497515 0.805233 Cl\n0.188640 0.502485 0.305233 Cl\n0.305466 0.552610 0.869221 Cl\n0.305466 0.447390 0.369221 Cl\n0.088582 0.258689 0.891886 Cl\n0.088582 0.741311 0.391886 Cl\n0.032199 0.722803 0.890159 Cl\n0.032199 0.277197 0.390159 Cl\n0.114233 0.420049 0.565030 Cl\n0.114233 0.579951 0.065030 Cl\n0.321774 0.585300 0.643466 Cl\n0.321774 0.414700 0.143466 Cl\n0.057238 0.325126 0.666791 Cl\n0.057238 0.674874 0.166791 Cl\n0.053535 0.814559 0.616598 Cl\n0.053535 0.185441 0.116598 Cl\n",
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],
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"updated_at": "2021-11-28T01:34:37.170000Z",
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}
]
}