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{
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{
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"structure_string": "Li4 Si8 Ni4 O24\n1.0\n5.343277 0.000000 0.000000\n2.671638 -4.652805 11.093481\n0.000000 -9.305610 0.000000\nLi Si Ni O\n4 8 4 24\ndirect\n0.125000 0.750000 0.625000 Li\n0.875000 0.250000 0.375000 Li\n0.625000 0.750000 0.125000 Li\n0.375000 0.250000 0.875000 Li\n0.958482 0.583036 0.458482 Si\n0.708482 0.083036 0.208482 Si\n0.458482 0.583036 0.958482 Si\n0.208482 0.083036 0.708482 Si\n0.291518 0.916964 0.291518 Si\n0.041518 0.416964 0.041518 Si\n0.791518 0.916964 0.791518 Si\n0.541518 0.416964 0.541518 Si\n0.375000 0.250000 0.375000 Ni\n0.125000 0.750000 0.125000 Ni\n0.625000 0.750000 0.625000 Ni\n0.875000 0.250000 0.875000 Ni\n0.750000 0.500000 0.487085 O\n0.500000 0.000000 0.237085 O\n0.250000 0.500000 0.987085 O\n0.000000 0.000000 0.737085 O\n0.250000 0.500000 0.512915 O\n0.000000 0.000000 0.262915 O\n0.750000 0.500000 0.012915 O\n0.500000 0.000000 0.762915 O\n0.902718 0.666416 0.561379 O\n0.652718 0.166416 0.311379 O\n0.402718 0.666416 0.061379 O\n0.152718 0.166416 0.811379 O\n0.347282 0.833584 0.477795 O\n0.097282 0.333584 0.227795 O\n0.847282 0.833584 0.977795 O\n0.597282 0.333584 0.727795 O\n0.319134 0.833584 0.188621 O\n0.069134 0.333584 0.938621 O\n0.819134 0.833584 0.688621 O\n0.569134 0.333584 0.438621 O\n0.930866 0.666416 0.272205 O\n0.680866 0.166416 0.022205 O\n0.430866 0.666416 0.772205 O\n0.180866 0.166416 0.522205 O\n",
"nsites": 40,
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"volume": 551.5950752482354,
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"formula_full": "Li4 Si8 Ni4 O24",
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{
"id": "mp-1180114",
"created_at": "2022-09-04T14:44:53.063143Z",
"structure_string": "Nd4 C4 O16\n1.0\n4.828096 0.000000 0.000000\n0.000000 6.520598 0.000000\n0.000000 0.000000 10.697325\nNd C O\n4 4 16\ndirect\n0.750000 0.319237 0.393697 Nd\n0.750000 0.819237 0.106303 Nd\n0.250000 0.680763 0.606303 Nd\n0.250000 0.180763 0.893697 Nd\n0.750000 0.273075 0.107062 C\n0.750000 0.773075 0.392938 C\n0.250000 0.726925 0.892938 C\n0.250000 0.226925 0.607062 C\n0.750000 0.734811 0.638026 O\n0.750000 0.234811 0.861974 O\n0.250000 0.265189 0.361974 O\n0.250000 0.765189 0.138026 O\n0.750000 0.451305 0.160870 O\n0.750000 0.951305 0.339130 O\n0.250000 0.548695 0.839130 O\n0.250000 0.048695 0.660870 O\n0.520763 0.174749 0.087655 O\n0.979237 0.674749 0.412345 O\n0.020763 0.825251 0.912345 O\n0.479237 0.325251 0.587655 O\n0.479237 0.825251 0.912345 O\n0.020763 0.325251 0.587655 O\n0.979237 0.174749 0.087655 O\n0.520763 0.674749 0.412345 O\n",
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"volume": 336.7739678534658,
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{
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"created_at": "2022-09-04T14:44:53.072994Z",
"structure_string": "Rb2 Fe2 Cu2 F12\n1.0\n-3.552245 3.797730 5.295186\n3.552245 -3.797730 5.295186\n3.552245 3.797730 -5.295186\nRb Fe Cu F\n2 2 2 12\ndirect\n0.368186 0.618186 0.750000 Rb\n0.631814 0.381814 0.250000 Rb\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.312823 0.062823 0.250000 F\n0.931122 0.681122 0.250000 F\n0.331560 0.680572 0.255386 F\n0.925186 0.076174 0.244614 F\n0.331560 0.076174 0.650987 F\n0.925186 0.680572 0.849013 F\n0.687177 0.937177 0.750000 F\n0.068878 0.318878 0.750000 F\n0.668440 0.319428 0.744614 F\n0.074814 0.923826 0.755386 F\n0.668440 0.923826 0.349013 F\n0.074814 0.319428 0.150987 F\n",
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"chemical_system": "Cu-F-Fe-Rb",
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"volume": 285.7381365212915,
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"formula_full": "Rb2 Fe2 Cu2 F12",
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{
"id": "mp-1228666",
"created_at": "2022-09-04T14:44:53.091663Z",
"structure_string": "Ba4 Fe12 Si8 Cl1 O35\n1.0\n8.894887 0.000000 0.000000\n2.230466 8.621594 0.000000\n2.164537 2.915242 10.204152\nBa Fe Si Cl O\n4 12 8 1 35\ndirect\n0.511070 0.270208 0.437413 Ba\n0.009022 0.768850 0.444598 Ba\n0.988982 0.229436 0.562643 Ba\n0.489677 0.729859 0.561256 Ba\n0.384619 0.374134 0.003472 Fe\n0.863239 0.889005 0.985666 Fe\n0.120599 0.140022 0.989965 Fe\n0.619673 0.606866 0.003079 Fe\n0.786795 0.572856 0.279552 Fe\n0.286239 0.073114 0.279390 Fe\n0.710616 0.927319 0.718799 Fe\n0.213652 0.427924 0.719026 Fe\n0.754186 0.245823 0.000731 Fe\n0.267069 0.740555 0.986992 Fe\n0.999902 0.500130 0.002304 Fe\n0.497145 0.000016 0.999821 Fe\n0.175984 0.465225 0.268682 Si\n0.672821 0.965663 0.269992 Si\n0.900299 0.191182 0.270811 Si\n0.401300 0.687617 0.270374 Si\n0.324222 0.035186 0.729672 Si\n0.824229 0.537122 0.728551 Si\n0.599717 0.309388 0.730392 Si\n0.101082 0.810087 0.730126 Si\n0.068117 0.865757 0.135093 Cl\n0.197541 0.516999 0.106972 O\n0.684981 0.018492 0.109475 O\n0.929400 0.258831 0.110369 O\n0.436934 0.741740 0.108290 O\n0.302878 0.979507 0.891124 O\n0.804233 0.492629 0.889317 O\n0.571280 0.245108 0.890822 O\n0.076410 0.750269 0.891530 O\n0.246630 0.275602 0.334760 O\n0.745563 0.775872 0.335714 O\n0.055882 0.085114 0.338654 O\n0.557635 0.584003 0.337193 O\n0.253034 0.224918 0.664417 O\n0.753254 0.726247 0.660297 O\n0.443639 0.414919 0.663176 O\n0.942242 0.913225 0.666828 O\n0.779495 0.062467 0.316592 O\n0.281731 0.557986 0.319804 O\n0.719329 0.439276 0.682122 O\n0.220238 0.940139 0.679298 O\n0.809790 0.629642 0.092880 O\n0.318136 0.131316 0.094272 O\n0.671352 0.860411 0.903634 O\n0.179339 0.374483 0.902779 O\n0.998425 0.522789 0.336674 O\n0.496370 0.022219 0.341144 O\n0.808000 0.332950 0.340692 O\n0.310195 0.832331 0.336512 O\n0.501090 0.978556 0.660767 O\n0.001629 0.478207 0.661184 O\n0.691996 0.166766 0.661333 O\n0.192110 0.668098 0.660179 O\n0.586017 0.385850 0.089012 O\n0.440902 0.628323 0.901387 O\n0.922063 0.121374 0.912399 O\n",
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{
"id": "mp-505300",
"created_at": "2022-09-04T14:44:53.131253Z",
"structure_string": "Cs8 Mn4 O16\n1.0\n6.409999 -0.000001 0.000001\n-0.000001 8.578930 0.000005\n0.000001 0.000006 11.390844\nCs Mn O\n8 4 16\ndirect\n0.750000 0.669019 0.588668 Cs\n0.250000 0.330981 0.411332 Cs\n0.750000 0.169019 0.911332 Cs\n0.250000 0.830981 0.088668 Cs\n0.750000 0.987324 0.306513 Cs\n0.250000 0.012675 0.693487 Cs\n0.750000 0.487324 0.193487 Cs\n0.250000 0.512675 0.806513 Cs\n0.750000 0.236120 0.580416 Mn\n0.250000 0.763879 0.419584 Mn\n0.750000 0.736121 0.919584 Mn\n0.250000 0.263883 0.080420 Mn\n0.750000 0.042555 0.584776 O\n0.250000 0.957445 0.415223 O\n0.750000 0.542555 0.915224 O\n0.250000 0.457446 0.084776 O\n0.750000 0.292444 0.439878 O\n0.250000 0.707555 0.560122 O\n0.750000 0.792444 0.060122 O\n0.250000 0.207555 0.939877 O\n0.961495 0.306850 0.647125 O\n0.461495 0.693150 0.352874 O\n0.538505 0.806850 0.852875 O\n0.038505 0.193150 0.147125 O\n0.038505 0.693150 0.352874 O\n0.538505 0.306850 0.647125 O\n0.461495 0.193150 0.147125 O\n0.961495 0.806850 0.852874 O\n",
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"formula_full": "Cs8 Mn4 O16",
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{
"id": "mp-631554",
"created_at": "2022-09-04T14:44:53.133604Z",
"structure_string": "Na2 Ti1 Au1\n1.0\n0.000000 3.456676 3.456676\n3.456676 0.000000 3.456676\n3.456676 3.456676 0.000000\nNa Ti Au\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Au\n",
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{
"id": "mp-30276",
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"structure_string": "Ce20 Ga10 Cl8\n1.0\n-3.891866 3.891866 15.637327\n3.891866 -3.891866 15.637327\n3.891866 3.891866 -15.637327\nCe Ga Cl\n20 10 8\ndirect\n0.153424 0.153424 0.000000 Ce\n0.346576 0.346576 0.000000 Ce\n0.653424 0.653424 0.000000 Ce\n0.846576 0.846576 0.000000 Ce\n0.468039 0.968039 0.842467 Ce\n0.531961 0.031961 0.157533 Ce\n0.874428 0.374428 0.842467 Ce\n0.374428 0.531961 0.500000 Ce\n0.031961 0.874428 0.500000 Ce\n0.968039 0.125572 0.500000 Ce\n0.625572 0.468039 0.500000 Ce\n0.125572 0.625572 0.157533 Ce\n0.602765 0.102765 0.842849 Ce\n0.397235 0.897235 0.157151 Ce\n0.740085 0.240085 0.842849 Ce\n0.240085 0.397235 0.500000 Ce\n0.897235 0.740085 0.500000 Ce\n0.102765 0.259915 0.500000 Ce\n0.759915 0.602765 0.500000 Ce\n0.259915 0.759915 0.157151 Ce\n0.250000 0.250000 0.000000 Ga\n0.750000 0.750000 0.000000 Ga\n0.489225 0.743252 0.500000 Ga\n0.756748 0.010775 0.500000 Ga\n0.510775 0.256748 0.500000 Ga\n0.256748 0.756748 0.745973 Ga\n0.010775 0.510775 0.254027 Ga\n0.743252 0.243252 0.254027 Ga\n0.989225 0.489225 0.745973 Ga\n0.243252 0.989225 0.500000 Ga\n0.860014 0.360014 0.220028 Cl\n0.360014 0.139986 0.500000 Cl\n0.639986 0.860014 0.500000 Cl\n0.139986 0.639986 0.779972 Cl\n0.443074 0.443074 0.000000 Cl\n0.056926 0.056926 0.000000 Cl\n0.556926 0.556926 0.000000 Cl\n0.943074 0.943074 0.000000 Cl\n",
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"formula_full": "Ce20 Ga10 Cl8",
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},
{
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{
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"formula_full": "Li6 Mn2 Co2 O10",
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{
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{
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"created_at": "2022-09-04T14:44:53.103921Z",
"structure_string": "Cr8 P14 O48\n1.0\n10.121291 0.000000 0.000000\n-2.626160 9.912337 0.000000\n-3.918614 -4.575083 8.820009\nCr P O\n8 14 48\ndirect\n0.002081 0.386569 0.075829 Cr\n0.013164 0.169337 0.586872 Cr\n0.488124 0.336115 0.114748 Cr\n0.986836 0.830663 0.413128 Cr\n0.511876 0.663885 0.885252 Cr\n0.997919 0.613431 0.924171 Cr\n0.500062 0.895374 0.742528 Cr\n0.499938 0.104626 0.257472 Cr\n0.249900 0.391892 0.524023 P\n0.737166 0.964227 0.241998 P\n0.733396 0.178381 0.116491 P\n0.193606 0.625605 0.433570 P\n0.750100 0.608108 0.475977 P\n0.266604 0.821619 0.883509 P\n0.249996 0.458783 0.948294 P\n0.800707 0.059633 0.738892 P\n0.227565 0.220801 0.226652 P\n0.750004 0.541217 0.051706 P\n0.806394 0.374395 0.566430 P\n0.772435 0.779199 0.773348 P\n0.199293 0.940367 0.261108 P\n0.262834 0.035773 0.758002 P\n0.336518 0.174966 0.906741 O\n0.349252 0.433213 0.079771 O\n0.689810 0.660149 0.597818 O\n0.606030 0.504097 0.325162 O\n0.367681 0.593805 0.954024 O\n0.882087 0.974806 0.372479 O\n0.128826 0.788856 0.123946 O\n0.132264 0.679472 0.841688 O\n0.631674 0.276825 0.460381 O\n0.377332 0.018236 0.337297 O\n0.642367 0.063031 0.951782 O\n0.087718 0.698446 0.462388 O\n0.626037 0.994342 0.299460 O\n0.357633 0.936969 0.048218 O\n0.368326 0.723175 0.539619 O\n0.113349 0.257855 0.125949 O\n0.871174 0.211144 0.876054 O\n0.840984 0.439275 0.730334 O\n0.634447 0.780413 0.803475 O\n0.632319 0.406195 0.045976 O\n0.867736 0.320528 0.158312 O\n0.183969 0.892930 0.781990 O\n0.816031 0.107070 0.218010 O\n0.145839 0.931305 0.373224 O\n0.663482 0.825034 0.093259 O\n0.379850 0.781045 0.823980 O\n0.310190 0.339851 0.402182 O\n0.117913 0.025194 0.627521 O\n0.622668 0.981764 0.662703 O\n0.620150 0.218955 0.176020 O\n0.863684 0.943489 0.797064 O\n0.853804 0.753798 0.493172 O\n0.365553 0.219587 0.196525 O\n0.373963 0.005658 0.700540 O\n0.854161 0.068695 0.626776 O\n0.886651 0.742145 0.874051 O\n0.849951 0.520928 0.531193 O\n0.159016 0.560725 0.269666 O\n0.146196 0.246202 0.506828 O\n0.873639 0.500628 0.009988 O\n0.650748 0.566787 0.920229 O\n0.393970 0.495903 0.674838 O\n0.136316 0.056511 0.202936 O\n0.835796 0.678228 0.206475 O\n0.912282 0.301554 0.537612 O\n0.126361 0.499372 0.990012 O\n0.164204 0.321772 0.793525 O\n0.150049 0.479072 0.468807 O\n",
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}