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{
"id": "mp-1032202",
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{
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{
"id": "mp-705485",
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"structure_string": "Na1 Ca5 Sc1 Zn5 Si12 O36\n1.0\n4.506050 4.993094 0.000000\n-4.506050 4.993094 0.000000\n0.000000 4.390588 15.353461\nNa Ca Sc Zn Si O\n1 5 1 5 12 36\ndirect\n0.698777 0.301223 0.000000 Na\n0.303154 0.697278 0.831150 Ca\n0.699315 0.296807 0.664804 Ca\n0.298946 0.701054 0.500000 Ca\n0.703193 0.300685 0.335196 Ca\n0.302722 0.696846 0.168850 Ca\n0.084413 0.915587 0.000000 Sc\n0.893849 0.104154 0.832538 Zn\n0.094115 0.904490 0.667786 Zn\n0.908784 0.091216 0.500000 Zn\n0.095510 0.905885 0.332214 Zn\n0.895846 0.106151 0.167462 Zn\n0.809311 0.617218 0.829526 Si\n0.377967 0.198895 0.837069 Si\n0.623065 0.802611 0.662219 Si\n0.191306 0.380518 0.670859 Si\n0.806904 0.619197 0.494895 Si\n0.380803 0.193096 0.505105 Si\n0.619482 0.808694 0.329141 Si\n0.197389 0.376935 0.337781 Si\n0.801105 0.622033 0.162931 Si\n0.382782 0.190689 0.170474 Si\n0.617204 0.801133 0.994655 Si\n0.198867 0.382796 0.005345 Si\n0.629430 0.669172 0.915528 O\n0.902247 0.389888 0.857282 O\n0.971689 0.795205 0.800027 O\n0.208674 0.028324 0.868944 O\n0.607063 0.112669 0.805909 O\n0.671706 0.627975 0.750284 O\n0.330249 0.370361 0.748541 O\n0.391891 0.885462 0.693154 O\n0.794221 0.970309 0.631901 O\n0.026623 0.206691 0.700504 O\n0.109379 0.611233 0.639600 O\n0.632405 0.666725 0.583500 O\n0.368480 0.331830 0.583095 O\n0.888752 0.387933 0.525461 O\n0.973567 0.791257 0.464725 O\n0.208743 0.026433 0.535275 O\n0.612067 0.111248 0.474539 O\n0.668170 0.631520 0.416905 O\n0.333275 0.367595 0.416500 O\n0.388767 0.890621 0.360400 O\n0.793309 0.973377 0.299496 O\n0.029691 0.205779 0.368099 O\n0.114538 0.608109 0.306846 O\n0.629639 0.669751 0.251459 O\n0.372025 0.328294 0.249716 O\n0.887331 0.392937 0.194091 O\n0.971676 0.791326 0.131056 O\n0.204795 0.028311 0.199973 O\n0.610112 0.097753 0.142718 O\n0.662587 0.637116 0.085617 O\n0.330828 0.370570 0.084472 O\n0.382596 0.881301 0.024126 O\n0.792367 0.965284 0.965397 O\n0.034716 0.207633 0.034603 O\n0.118699 0.617404 0.975874 O\n0.362884 0.337413 0.914383 O\n",
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"formula_full": "Na1 Ca5 Sc1 Zn5 Si12 O36",
"formula_reduced": "NaCa5ScZn5(SiO3)12",
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"spacegroup": 5
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{
"id": "mp-18912",
"created_at": "2022-09-04T14:46:55.389333Z",
"structure_string": "Na5 Ni1 S1 O2\n1.0\n4.580099 0.000000 0.000000\n0.000000 4.580099 0.000000\n0.000000 0.000000 8.179527\nNa Ni S O\n5 1 1 2\ndirect\n0.000000 0.500000 0.259102 Na\n0.500000 0.000000 0.259102 Na\n0.000000 0.500000 0.740898 Na\n0.500000 0.000000 0.740898 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 S\n0.000000 0.000000 0.780343 O\n0.000000 0.000000 0.219657 O\n",
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"formula_full": "Na5 Ni1 S1 O2",
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{
"id": "mp-1213690",
"created_at": "2022-09-04T14:46:55.412931Z",
"structure_string": "Cs4 C4 O8 F8\n1.0\n5.909631 0.000000 0.000000\n0.000000 7.951330 0.000000\n0.000000 0.000000 9.630134\nCs C O F\n4 4 8 8\ndirect\n0.250000 0.663306 0.182006 Cs\n0.750000 0.336694 0.817994 Cs\n0.750000 0.163306 0.317994 Cs\n0.250000 0.836694 0.682006 Cs\n0.250000 0.201876 0.065010 C\n0.750000 0.798124 0.934990 C\n0.750000 0.701876 0.434990 C\n0.250000 0.298124 0.565010 C\n0.070858 0.297384 0.079366 O\n0.929142 0.702616 0.920634 O\n0.929142 0.797384 0.420634 O\n0.570858 0.702616 0.920634 O\n0.070858 0.202616 0.579366 O\n0.429142 0.297384 0.079366 O\n0.429142 0.202616 0.579366 O\n0.570858 0.797384 0.420634 O\n0.250000 0.390359 0.434821 F\n0.750000 0.609641 0.565179 F\n0.750000 0.890359 0.065179 F\n0.250000 0.109641 0.934821 F\n0.250000 0.061187 0.163973 F\n0.750000 0.938813 0.836027 F\n0.750000 0.561187 0.336027 F\n0.250000 0.438813 0.663973 F\n",
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{
"id": "mp-770526",
"created_at": "2022-09-04T14:46:55.415653Z",
"structure_string": "Li12 Fe4 B8 S2 O32\n1.0\n0.000000 6.711513 6.711513\n6.711513 0.000000 6.711513\n6.711513 6.711513 0.000000\nLi Fe B S O\n12 4 8 2 32\ndirect\n0.280550 0.280550 0.719450 Li\n0.969450 0.530550 0.530550 Li\n0.280550 0.719450 0.280550 Li\n0.719450 0.280550 0.719450 Li\n0.530550 0.969450 0.969450 Li\n0.530550 0.530550 0.969450 Li\n0.719450 0.719450 0.280550 Li\n0.719450 0.280550 0.280550 Li\n0.530550 0.969450 0.530550 Li\n0.969450 0.530550 0.969450 Li\n0.280550 0.719450 0.719450 Li\n0.969450 0.969450 0.530550 Li\n0.625000 0.125000 0.125000 Fe\n0.125000 0.125000 0.125000 Fe\n0.125000 0.125000 0.625000 Fe\n0.125000 0.625000 0.125000 Fe\n0.280017 0.906661 0.906661 B\n0.906661 0.280017 0.906661 B\n0.906661 0.906661 0.906661 B\n0.906661 0.906661 0.280017 B\n0.343339 0.343339 0.969983 B\n0.343339 0.343339 0.343339 B\n0.343339 0.969983 0.343339 B\n0.969983 0.343339 0.343339 B\n0.500000 0.500000 0.500000 S\n0.750000 0.750000 0.750000 S\n0.206354 0.495178 0.330198 O\n0.968271 0.330198 0.495178 O\n0.281729 0.043646 0.919802 O\n0.043646 0.281729 0.754822 O\n0.281729 0.754822 0.043646 O\n0.564331 0.564331 0.307006 O\n0.919802 0.043646 0.754822 O\n0.564331 0.564331 0.564331 O\n0.564331 0.307006 0.564331 O\n0.919802 0.281729 0.043646 O\n0.754822 0.281729 0.919802 O\n0.307006 0.564331 0.564331 O\n0.043646 0.919802 0.281729 O\n0.754822 0.919802 0.043646 O\n0.919802 0.754822 0.281729 O\n0.495178 0.206354 0.968271 O\n0.754822 0.043646 0.281729 O\n0.330198 0.495178 0.968271 O\n0.495178 0.330198 0.206354 O\n0.206354 0.330198 0.968271 O\n0.942994 0.685669 0.685669 O\n0.495178 0.968271 0.330198 O\n0.330198 0.968271 0.206354 O\n0.685669 0.942994 0.685669 O\n0.685669 0.685669 0.685669 O\n0.330198 0.206354 0.495178 O\n0.685669 0.685669 0.942994 O\n0.968271 0.495178 0.206354 O\n0.206354 0.968271 0.495178 O\n0.968271 0.206354 0.330198 O\n0.281729 0.919802 0.754822 O\n0.043646 0.754822 0.919802 O\n",
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{
"id": "mp-977056",
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"structure_string": "Mg1 Pt5\n1.0\n1.396704 5.229376 0.000000\n-1.396704 5.229376 0.000000\n0.000000 1.894813 6.455047\nMg Pt\n1 5\ndirect\n0.611170 0.611170 0.278318 Mg\n0.001204 0.001204 0.999976 Pt\n0.273264 0.273264 0.955579 Pt\n0.666033 0.666033 0.667732 Pt\n0.947468 0.947468 0.602406 Pt\n0.334194 0.334194 0.329322 Pt\n",
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{
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"structure_string": "Al16 O24\n1.0\n5.643308 0.020567 0.022242\n-2.803842 4.897532 -0.022242\n0.054422 -0.031420 13.674522\nAl O\n16 24\ndirect\n0.469318 0.726167 0.207064 Al\n0.791613 0.403872 0.122817 Al\n0.959829 0.725151 0.339834 Al\n0.141756 0.053730 0.160706 Al\n0.960507 0.234978 0.339221 Al\n0.470334 0.235656 0.339834 Al\n0.131789 0.063697 0.548014 Al\n0.462192 0.733293 0.452166 Al\n0.634182 0.071910 0.660415 Al\n0.633511 0.561975 0.661008 Al\n0.123576 0.561304 0.660415 Al\n0.802358 0.393127 0.877591 Al\n0.124706 0.070780 0.793479 Al\n0.296949 0.398573 0.000260 Al\n0.452330 0.743155 0.839683 Al\n0.796912 0.898536 0.000260 Al\n0.797583 0.397902 0.258331 O\n0.282570 0.369898 0.254351 O\n0.825587 0.912916 0.254351 O\n0.288155 0.907331 0.252306 O\n0.448228 0.243797 0.086921 O\n0.971477 0.224008 0.083193 O\n0.130762 0.064724 0.412969 O\n0.951688 0.747258 0.086921 O\n0.463211 0.732274 0.587368 O\n0.963285 0.728807 0.594545 O\n0.466678 0.232200 0.594545 O\n0.962794 0.232691 0.594363 O\n0.127473 0.564869 0.405680 O\n0.631081 0.564404 0.405878 O\n0.796401 0.399084 0.741952 O\n0.630616 0.068012 0.405680 O\n0.118375 0.077111 0.921430 O\n0.642209 0.049712 0.913435 O\n0.145774 0.553276 0.913435 O\n0.622460 0.573025 0.917239 O\n0.768476 0.884038 0.745989 O\n0.305856 0.889630 0.748040 O\n0.475558 0.719927 0.079019 O\n0.311448 0.427009 0.745989 O\n",
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{
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"structure_string": "Li1 Mo1 P2 W1 O11\n1.0\n3.237320 4.149715 0.000000\n-3.237320 4.149715 0.000000\n0.000000 1.691621 7.696571\nLi Mo P W O\n1 1 2 1 11\ndirect\n0.504496 0.504496 0.994736 Li\n0.153980 0.153980 0.773692 Mo\n0.747338 0.747338 0.671270 P\n0.252776 0.252776 0.330140 P\n0.850162 0.850162 0.219249 W\n0.323162 0.323162 0.867590 O\n0.668585 0.668585 0.139640 O\n0.828869 0.460998 0.765266 O\n0.460998 0.828869 0.765266 O\n0.163758 0.540151 0.234573 O\n0.540151 0.163758 0.234573 O\n0.995346 0.995346 0.008409 O\n0.926346 0.926346 0.688376 O\n0.074027 0.074027 0.313530 O\n0.269273 0.269273 0.519291 O\n0.740730 0.740730 0.474401 O\n",
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