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{
"id": "mp-1195790",
"created_at": "2022-09-04T14:45:54.030700Z",
"structure_string": "Na6 U12 Ga2 F60\n1.0\n4.950339 -8.574239 0.000000\n4.950339 8.574239 0.000000\n0.000000 0.000000 13.018856\nNa U Ga F\n6 12 2 60\ndirect\n0.666667 0.333333 0.835959 Na\n0.666667 0.333333 0.335959 Na\n0.333333 0.666667 0.164041 Na\n0.333333 0.666667 0.664041 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.075959 0.400452 0.898416 U\n0.324493 0.924041 0.898416 U\n0.599548 0.675507 0.898416 U\n0.075959 0.675507 0.398416 U\n0.599548 0.924041 0.398416 U\n0.324493 0.400452 0.398416 U\n0.924041 0.599548 0.101584 U\n0.675507 0.075959 0.101584 U\n0.400452 0.324493 0.101584 U\n0.924041 0.324493 0.601584 U\n0.400452 0.075959 0.601584 U\n0.675507 0.599548 0.601584 U\n0.000000 0.000000 0.750000 Ga\n0.000000 0.000000 0.250000 Ga\n0.869406 0.302230 0.784657 F\n0.432824 0.130594 0.784657 F\n0.697770 0.567176 0.784657 F\n0.869406 0.567176 0.284657 F\n0.697770 0.130594 0.284657 F\n0.432824 0.302230 0.284657 F\n0.130594 0.697770 0.215343 F\n0.567176 0.869406 0.215343 F\n0.302230 0.432824 0.215343 F\n0.130594 0.432824 0.715343 F\n0.302230 0.869406 0.715343 F\n0.567176 0.697770 0.715343 F\n0.886262 0.193245 0.982070 F\n0.306982 0.113738 0.982070 F\n0.806755 0.693018 0.982070 F\n0.886262 0.693018 0.482070 F\n0.806755 0.113738 0.482070 F\n0.306982 0.193245 0.482070 F\n0.113738 0.806755 0.017930 F\n0.693018 0.886262 0.017930 F\n0.193245 0.306982 0.017930 F\n0.113738 0.306982 0.517930 F\n0.193245 0.886262 0.517930 F\n0.693018 0.806755 0.517930 F\n0.119504 0.531883 0.050891 F\n0.412380 0.880496 0.050891 F\n0.468117 0.587620 0.050891 F\n0.119504 0.587620 0.550891 F\n0.468117 0.880496 0.550891 F\n0.412380 0.531883 0.550891 F\n0.880496 0.468117 0.949109 F\n0.587620 0.119504 0.949109 F\n0.531883 0.412380 0.949109 F\n0.880496 0.412380 0.449109 F\n0.531883 0.119504 0.449109 F\n0.587620 0.468117 0.449109 F\n0.820394 0.902430 0.837125 F\n0.082036 0.179606 0.837125 F\n0.097570 0.917964 0.837125 F\n0.820394 0.917964 0.337125 F\n0.097570 0.179606 0.337125 F\n0.082036 0.902430 0.337125 F\n0.179606 0.097570 0.162875 F\n0.917964 0.820394 0.162875 F\n0.902430 0.082036 0.162875 F\n0.179606 0.082036 0.662875 F\n0.902430 0.820394 0.662875 F\n0.917964 0.097570 0.662875 F\n0.341077 0.512209 0.861838 F\n0.171133 0.658923 0.861838 F\n0.487791 0.828867 0.861838 F\n0.341077 0.828867 0.361838 F\n0.487791 0.658923 0.361838 F\n0.171133 0.512209 0.361838 F\n0.658923 0.487791 0.138162 F\n0.828867 0.341077 0.138162 F\n0.512209 0.171133 0.138162 F\n0.658923 0.171133 0.638162 F\n0.512209 0.341077 0.638162 F\n0.828867 0.487791 0.638162 F\n",
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],
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"volume_molar": 8.319443178326695,
"formula_full": "Na6 U12 Ga2 F60",
"formula_reduced": "Na3U6GaF30",
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"updated_at": "2021-11-28T01:37:10.697000Z",
"spacegroup": 165
},
{
"id": "mp-1245326",
"created_at": "2022-09-04T14:41:47.208523Z",
"structure_string": "Ga50 N50\n1.0\n11.569161 -0.034439 -0.289081\n-0.038344 11.237653 -0.370430\n-0.289069 -0.369573 11.450254\nGa N\n50 50\ndirect\n0.039228 0.993261 0.442504 Ga\n0.105750 0.745897 0.325472 Ga\n0.778332 0.820271 0.015665 Ga\n0.052295 0.842560 0.933353 Ga\n0.207259 0.219990 0.143949 Ga\n0.264444 0.964884 0.784199 Ga\n0.561810 0.759606 0.753568 Ga\n0.942920 0.208721 0.283072 Ga\n0.256205 0.082849 0.549758 Ga\n0.465106 0.079558 0.199630 Ga\n0.269786 0.841398 0.480659 Ga\n0.334598 0.991971 0.993374 Ga\n0.488405 0.302889 0.180320 Ga\n0.746284 0.444914 0.187896 Ga\n0.109754 0.363507 0.454798 Ga\n0.621076 0.971827 0.974799 Ga\n0.067509 0.072053 0.739290 Ga\n0.422998 0.515801 0.775132 Ga\n0.006567 0.772472 0.586640 Ga\n0.055641 0.445918 0.239265 Ga\n0.680591 0.027023 0.424270 Ga\n0.499879 0.302464 0.714982 Ga\n0.913765 0.546611 0.376530 Ga\n0.793429 0.186461 0.907803 Ga\n0.306308 0.266303 0.400867 Ga\n0.337961 0.717610 0.912877 Ga\n0.927451 0.646398 0.079473 Ga\n0.264749 0.492565 0.268107 Ga\n0.457535 0.781803 0.115826 Ga\n0.719237 0.139143 0.188746 Ga\n0.901124 0.437474 0.625041 Ga\n0.957208 0.174308 0.572815 Ga\n0.515030 0.011241 0.677939 Ga\n0.694617 0.638714 0.539570 Ga\n0.231836 0.931813 0.220964 Ga\n0.138735 0.594684 0.658301 Ga\n0.666659 0.472195 0.700993 Ga\n0.729781 0.916484 0.709534 Ga\n0.867974 0.683453 0.767594 Ga\n0.851505 0.813837 0.324333 Ga\n0.757049 0.338287 0.431139 Ga\n0.944890 0.308418 0.030434 Ga\n0.970997 0.943186 0.150497 Ga\n0.718845 0.197630 0.690954 Ga\n0.612792 0.639459 0.997275 Ga\n0.301011 0.766050 0.685219 Ga\n0.354985 0.697701 0.292865 Ga\n0.497990 0.715966 0.471276 Ga\n0.606618 0.357541 0.947289 Ga\n0.786741 0.479436 0.921613 Ga\n0.589380 0.235947 0.430740 N\n0.442046 0.230911 0.883490 N\n0.442945 0.011722 0.362743 N\n0.668565 0.037059 0.604068 N\n0.960467 0.713699 0.410212 N\n0.725046 0.742291 0.686896 N\n0.819784 0.275500 0.581842 N\n0.454556 0.773099 0.621130 N\n0.863763 0.046587 0.252994 N\n0.359413 0.452707 0.002172 N\n0.590294 0.405552 0.106612 N\n0.504087 0.651348 0.860704 N\n0.305540 0.522971 0.516746 N\n0.801657 0.505190 0.492761 N\n0.247361 0.290113 0.700345 N\n0.883040 0.951837 0.787393 N\n0.045494 0.275418 0.170250 N\n0.686316 0.726408 0.312858 N\n0.362070 0.053167 0.675961 N\n0.904280 0.731756 0.931574 N\n0.145766 0.767022 0.087267 N\n0.093054 0.696506 0.142185 N\n0.390992 0.194045 0.957213 N\n0.085855 0.920100 0.290972 N\n0.584686 0.437532 0.347000 N\n0.279704 0.610163 0.766463 N\n0.057573 0.457663 0.588081 N\n0.487127 0.950216 0.074210 N\n0.521155 0.498047 0.395864 N\n0.087598 0.545421 0.897403 N\n0.658804 0.644137 0.250806 N\n0.024722 0.209237 0.430545 N\n0.853849 0.990618 0.362990 N\n0.377649 0.462733 0.549798 N\n0.285119 0.067316 0.144409 N\n0.869363 0.790252 0.161029 N\n0.320339 0.534419 0.046909 N\n0.097891 0.475721 0.962640 N\n0.165159 0.201400 0.955618 N\n0.879988 0.477149 0.072549 N\n0.788549 0.290456 0.269401 N\n0.507836 0.236164 0.486037 N\n0.353934 0.951761 0.361733 N\n0.194538 0.354812 0.753326 N\n0.912223 0.051328 0.830447 N\n0.691295 0.125669 0.019518 N\n0.591402 0.930386 0.807188 N\n0.081074 0.228138 0.903018 N\n0.326821 0.327889 0.236389 N\n0.832487 0.508347 0.764325 N\n",
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"elements": [
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],
"chemical_system": "Ga-N",
"density": 4.677883201941132,
"density_atomic": 0.06729003235569755,
"volume": 1486.1042044295114,
"volume_molar": 8.949528703102331,
"formula_full": "Ga50 N50",
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},
{
"id": "mp-1019725",
"created_at": "2022-09-04T14:45:21.492369Z",
"structure_string": "Cs4 Y4 P16 O48\n1.0\n8.984542 0.000000 0.000000\n0.000000 10.458604 0.000000\n0.000000 7.176492 10.850552\nCs Y P O\n4 4 16 48\ndirect\n0.565774 0.280308 0.038750 Cs\n0.934226 0.280308 0.538750 Cs\n0.434226 0.719692 0.961250 Cs\n0.065774 0.719692 0.461250 Cs\n0.725634 0.815663 0.681186 Y\n0.774366 0.815663 0.181186 Y\n0.274366 0.184337 0.318814 Y\n0.225634 0.184337 0.818814 Y\n0.410437 0.890355 0.256571 P\n0.089563 0.890355 0.756571 P\n0.589563 0.109645 0.743429 P\n0.910437 0.109645 0.243429 P\n0.673084 0.170762 0.368977 P\n0.826916 0.170762 0.868977 P\n0.326916 0.829238 0.631023 P\n0.173084 0.829238 0.131023 P\n0.471470 0.533271 0.712163 P\n0.028530 0.533271 0.212163 P\n0.528530 0.466729 0.287837 P\n0.971470 0.466729 0.787837 P\n0.109638 0.298667 0.027367 P\n0.390362 0.298667 0.527367 P\n0.890362 0.701333 0.972633 P\n0.609638 0.701333 0.472633 P\n0.543584 0.545063 0.592245 O\n0.956416 0.545063 0.092245 O\n0.456416 0.454937 0.407755 O\n0.043584 0.454937 0.907755 O\n0.583009 0.579964 0.772105 O\n0.916991 0.579964 0.272105 O\n0.416991 0.420036 0.227895 O\n0.083009 0.420036 0.727895 O\n0.792826 0.215603 0.259783 O\n0.707174 0.215603 0.759783 O\n0.207174 0.784397 0.740217 O\n0.292826 0.784397 0.240217 O\n0.543796 0.922140 0.176437 O\n0.956204 0.922140 0.676437 O\n0.456204 0.077860 0.823563 O\n0.043796 0.077860 0.323563 O\n0.743128 0.067128 0.492703 O\n0.756872 0.067128 0.992703 O\n0.256872 0.932872 0.507297 O\n0.243128 0.932872 0.007297 O\n0.403144 0.377669 0.791059 O\n0.096856 0.377669 0.291059 O\n0.596856 0.622331 0.208941 O\n0.903144 0.622331 0.708941 O\n0.327333 0.021795 0.244828 O\n0.172667 0.021795 0.744828 O\n0.672667 0.978205 0.755172 O\n0.827333 0.978205 0.255172 O\n0.212720 0.334602 0.099098 O\n0.287280 0.334602 0.599098 O\n0.787280 0.665398 0.900902 O\n0.712720 0.665398 0.400902 O\n0.168845 0.202278 0.983891 O\n0.331155 0.202278 0.483891 O\n0.831155 0.797722 0.016109 O\n0.668845 0.797722 0.516109 O\n0.529680 0.129368 0.335658 O\n0.970320 0.129368 0.835658 O\n0.470320 0.870632 0.664342 O\n0.029680 0.870632 0.164342 O\n0.839555 0.338764 0.848551 O\n0.660445 0.338764 0.348551 O\n0.160445 0.661236 0.151449 O\n0.339555 0.661236 0.651449 O\n0.953365 0.229782 0.100774 O\n0.546635 0.229782 0.600774 O\n0.046635 0.770218 0.899226 O\n0.453365 0.770218 0.399226 O\n",
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{
"id": "mp-1211213",
"created_at": "2022-09-04T14:39:30.731720Z",
"structure_string": "Li12 Tb12 Te8 O48\n1.0\n-6.226689 6.226689 6.226689\n6.226689 -6.226689 6.226689\n6.226689 6.226689 -6.226689\nLi Tb Te O\n12 12 8 48\ndirect\n0.250000 0.625000 0.375000 Li\n0.750000 0.375000 0.625000 Li\n0.750000 0.875000 0.125000 Li\n0.375000 0.250000 0.625000 Li\n0.625000 0.750000 0.375000 Li\n0.250000 0.125000 0.875000 Li\n0.125000 0.750000 0.875000 Li\n0.875000 0.250000 0.125000 Li\n0.625000 0.375000 0.250000 Li\n0.375000 0.625000 0.750000 Li\n0.875000 0.125000 0.750000 Li\n0.125000 0.875000 0.250000 Li\n0.250000 0.375000 0.125000 Tb\n0.750000 0.625000 0.875000 Tb\n0.750000 0.125000 0.375000 Tb\n0.125000 0.250000 0.375000 Tb\n0.375000 0.750000 0.125000 Tb\n0.250000 0.875000 0.625000 Tb\n0.875000 0.750000 0.625000 Tb\n0.625000 0.250000 0.875000 Tb\n0.375000 0.125000 0.250000 Tb\n0.625000 0.875000 0.750000 Tb\n0.125000 0.375000 0.750000 Tb\n0.875000 0.625000 0.250000 Tb\n0.000000 0.000000 0.000000 Te\n0.500000 0.000000 0.500000 Te\n0.000000 0.500000 0.500000 Te\n0.500000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.500000 Te\n0.000000 0.500000 0.000000 Te\n0.472944 0.379783 0.301269 O\n0.527056 0.620217 0.698731 O\n0.578515 0.171676 0.198731 O\n0.921485 0.120217 0.593161 O\n0.301269 0.472944 0.379783 O\n0.328324 0.921485 0.301269 O\n0.421485 0.828324 0.801269 O\n0.078515 0.879783 0.406839 O\n0.698731 0.527056 0.620217 O\n0.671676 0.078515 0.698731 O\n0.027056 0.328324 0.906839 O\n0.198731 0.578515 0.171676 O\n0.120217 0.027056 0.198731 O\n0.972944 0.671676 0.093161 O\n0.801269 0.421485 0.828324 O\n0.879783 0.972944 0.801269 O\n0.593161 0.921485 0.120217 O\n0.171676 0.472944 0.593161 O\n0.406839 0.078515 0.879783 O\n0.828324 0.527056 0.406839 O\n0.906839 0.027056 0.328324 O\n0.379783 0.578515 0.906839 O\n0.093161 0.972944 0.671676 O\n0.620217 0.421485 0.093161 O\n0.379783 0.301269 0.472944 O\n0.578515 0.906839 0.379783 O\n0.620217 0.698731 0.527056 O\n0.421485 0.093161 0.620217 O\n0.120217 0.593161 0.921485 O\n0.027056 0.198731 0.120217 O\n0.879783 0.406839 0.078515 O\n0.972944 0.801269 0.879783 O\n0.328324 0.906839 0.027056 O\n0.921485 0.301269 0.328324 O\n0.671676 0.093161 0.972944 O\n0.078515 0.698731 0.671676 O\n0.171676 0.198731 0.578515 O\n0.472944 0.593161 0.171676 O\n0.828324 0.801269 0.421485 O\n0.527056 0.406839 0.828324 O\n0.301269 0.328324 0.921485 O\n0.698731 0.671676 0.078515 O\n0.198731 0.120217 0.027056 O\n0.801269 0.879783 0.972944 O\n0.906839 0.379783 0.578515 O\n0.093161 0.620217 0.421485 O\n0.593161 0.171676 0.472944 O\n0.406839 0.828324 0.527056 O\n",
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"elements": [
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"formula_full": "Li12 Tb12 Te8 O48",
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},
{
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