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{
"id": "mp-1199501",
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"structure_string": "Na24 Mn2 Cu4 H32 S16 O64\n1.0\n13.063483 0.000000 0.000000\n0.000000 9.792024 0.000000\n0.000000 9.559574 13.272744\nNa Mn Cu H S O\n24 2 4 32 16 64\ndirect\n0.043214 0.744566 0.422196 Na\n0.456786 0.744566 0.922196 Na\n0.956786 0.255434 0.577804 Na\n0.543214 0.255434 0.077804 Na\n0.274823 0.572248 0.445515 Na\n0.225177 0.572248 0.945515 Na\n0.725177 0.427752 0.554485 Na\n0.774823 0.427752 0.054485 Na\n0.150374 0.170610 0.264440 Na\n0.349626 0.170610 0.764440 Na\n0.849626 0.829390 0.735560 Na\n0.650374 0.829390 0.235560 Na\n0.906171 0.016438 0.201068 Na\n0.593829 0.016438 0.701068 Na\n0.093829 0.983562 0.798932 Na\n0.406171 0.983562 0.298932 Na\n0.381376 0.269270 0.382085 Na\n0.118624 0.269270 0.882085 Na\n0.618624 0.730730 0.617915 Na\n0.881376 0.730730 0.117915 Na\n0.055628 0.446167 0.331783 Na\n0.444372 0.446167 0.831783 Na\n0.944372 0.553833 0.668217 Na\n0.555628 0.553833 0.168217 Na\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.252328 0.907062 0.125343 Cu\n0.247672 0.907062 0.625343 Cu\n0.747672 0.092938 0.874657 Cu\n0.752328 0.092938 0.374657 Cu\n0.858441 0.454902 0.389624 H\n0.641559 0.454902 0.889624 H\n0.141559 0.545098 0.610376 H\n0.358441 0.545098 0.110376 H\n0.875603 0.607507 0.396796 H\n0.624397 0.607507 0.896796 H\n0.124397 0.392493 0.603204 H\n0.375603 0.392493 0.103204 H\n0.025974 0.378746 0.105102 H\n0.474026 0.378746 0.605102 H\n0.974026 0.621254 0.894898 H\n0.525974 0.621254 0.394898 H\n0.094452 0.306751 0.062326 H\n0.405548 0.306751 0.562326 H\n0.905548 0.693249 0.937674 H\n0.594452 0.693249 0.437674 H\n0.248955 0.506256 0.229731 H\n0.251045 0.506256 0.729731 H\n0.751045 0.493744 0.770269 H\n0.748955 0.493744 0.270269 H\n0.175298 0.529924 0.147694 H\n0.324702 0.529924 0.647694 H\n0.824702 0.470076 0.852306 H\n0.675298 0.470076 0.352306 H\n0.507929 0.947013 0.437892 H\n0.992071 0.947013 0.937892 H\n0.492071 0.052987 0.562108 H\n0.007929 0.052987 0.062108 H\n0.434147 0.789096 0.499958 H\n0.065853 0.789096 0.999958 H\n0.565853 0.210904 0.500042 H\n0.934147 0.210904 0.000042 H\n0.247436 0.902902 0.486615 S\n0.252564 0.902902 0.986615 S\n0.752564 0.097098 0.513385 S\n0.747436 0.097098 0.013385 S\n0.114401 0.836456 0.224596 S\n0.385599 0.836456 0.724596 S\n0.885599 0.163544 0.775404 S\n0.614401 0.163544 0.275404 S\n0.887317 0.267188 0.279557 S\n0.612683 0.267188 0.779557 S\n0.112683 0.732812 0.720443 S\n0.387317 0.732812 0.220443 S\n0.185748 0.168511 0.556771 S\n0.314252 0.168511 0.056771 S\n0.814252 0.831489 0.443229 S\n0.685748 0.831489 0.943229 S\n0.295655 0.746328 0.502763 O\n0.204345 0.746328 0.002763 O\n0.704345 0.253672 0.497237 O\n0.795655 0.253672 0.997237 O\n0.293536 0.052832 0.388959 O\n0.206464 0.052832 0.888959 O\n0.706464 0.947168 0.611041 O\n0.793536 0.947168 0.111041 O\n0.017315 0.819550 0.178968 O\n0.482685 0.819550 0.678968 O\n0.982685 0.180450 0.821032 O\n0.517315 0.180450 0.321032 O\n0.131371 0.668257 0.326630 O\n0.368629 0.668257 0.826630 O\n0.868629 0.331743 0.673370 O\n0.631371 0.331743 0.173370 O\n0.879089 0.443908 0.254881 O\n0.620911 0.443908 0.754881 O\n0.120911 0.556092 0.745119 O\n0.379089 0.556092 0.245119 O\n0.256339 0.306519 0.480425 O\n0.243661 0.306519 0.980425 O\n0.743661 0.693481 0.519575 O\n0.756339 0.693481 0.019575 O\n0.083949 0.194781 0.500020 O\n0.416051 0.194781 0.000020 O\n0.916051 0.805219 0.499980 O\n0.583949 0.805219 0.999980 O\n0.898741 0.490596 0.424312 O\n0.601259 0.490596 0.924312 O\n0.101259 0.509404 0.575688 O\n0.398741 0.509404 0.075688 O\n0.133463 0.902639 0.463024 O\n0.366537 0.902639 0.963024 O\n0.866537 0.097361 0.536976 O\n0.633463 0.097361 0.036976 O\n0.990557 0.197848 0.335201 O\n0.509443 0.197848 0.835201 O\n0.009443 0.802152 0.664799 O\n0.490557 0.802152 0.164799 O\n0.900032 0.286053 0.180899 O\n0.599968 0.286053 0.680899 O\n0.099968 0.713947 0.819101 O\n0.400032 0.713947 0.319101 O\n0.097238 0.380745 0.084399 O\n0.402762 0.380745 0.584399 O\n0.902762 0.619255 0.915601 O\n0.597238 0.619255 0.415601 O\n0.186788 0.457955 0.220771 O\n0.313212 0.457955 0.720771 O\n0.813212 0.542045 0.779229 O\n0.686788 0.542045 0.279229 O\n0.087361 0.961880 0.248134 O\n0.412639 0.961880 0.748134 O\n0.912639 0.038120 0.751866 O\n0.587361 0.038120 0.251866 O\n0.156712 0.199636 0.635706 O\n0.343288 0.199636 0.135706 O\n0.843288 0.800364 0.364294 O\n0.656712 0.800364 0.864294 O\n0.506677 0.822638 0.480990 O\n0.993323 0.822638 0.980990 O\n0.493323 0.177362 0.519010 O\n0.006677 0.177362 0.019010 O\n",
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"formula_full": "Na24 Mn2 Cu4 H32 S16 O64",
"formula_reduced": "Na12MnCu2H16(SO4)8",
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"spacegroup": 14
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{
"id": "mp-1112917",
"created_at": "2022-09-04T14:47:07.464053Z",
"structure_string": "Cs2 Er1 Cu1 Cl6\n1.0\n0.000000 5.249045 5.249045\n5.249045 0.000000 5.249045\n5.249045 5.249045 0.000000\nCs Er Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Cu\n0.749360 0.250640 0.250640 Cl\n0.250640 0.250640 0.749360 Cl\n0.250640 0.749360 0.749360 Cl\n0.250640 0.749360 0.250640 Cl\n0.749360 0.250640 0.749360 Cl\n0.749360 0.749360 0.250640 Cl\n",
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{
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"structure_string": "Ho24 Al14 Si2\n1.0\n-5.807753 5.807753 7.589271\n5.807753 -5.807753 7.589271\n5.807753 5.807753 -7.589271\nHo Al Si\n24 14 2\ndirect\n0.147469 0.647469 0.500000 Ho\n0.852531 0.352531 0.500000 Ho\n0.647469 0.147469 0.500000 Ho\n0.352531 0.852531 0.500000 Ho\n0.836877 0.700684 0.265130 Ho\n0.163123 0.299316 0.734870 Ho\n0.435554 0.571747 0.734870 Ho\n0.700684 0.435554 0.863808 Ho\n0.064446 0.799316 0.136192 Ho\n0.564446 0.428253 0.265130 Ho\n0.299316 0.564446 0.136192 Ho\n0.935554 0.200684 0.863808 Ho\n0.571747 0.836877 0.136192 Ho\n0.663123 0.928253 0.863808 Ho\n0.428253 0.163123 0.863808 Ho\n0.336877 0.071747 0.136192 Ho\n0.928253 0.064446 0.265130 Ho\n0.071747 0.935554 0.734870 Ho\n0.799316 0.663123 0.734870 Ho\n0.200684 0.336877 0.265130 Ho\n0.169956 0.669956 0.839911 Ho\n0.830044 0.330044 0.160089 Ho\n0.669956 0.830044 0.500000 Ho\n0.330044 0.169956 0.500000 Ho\n0.617918 0.117918 0.735836 Al\n0.382082 0.882082 0.264164 Al\n0.117918 0.382082 0.500000 Al\n0.882082 0.617918 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.381653 0.881653 0.856465 Al\n0.618347 0.118347 0.143535 Al\n0.025188 0.525188 0.143535 Al\n0.881653 0.025188 0.500000 Al\n0.474812 0.618347 0.500000 Al\n0.974812 0.474812 0.856465 Al\n0.118347 0.974812 0.500000 Al\n0.525188 0.381653 0.500000 Al\n0.750000 0.750000 0.000000 Si\n0.250000 0.250000 0.000000 Si\n",
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{
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"structure_string": "Li4 Co2 O6\n1.0\n1.487383 6.136688 0.000000\n-1.487383 6.136688 0.000000\n0.000000 1.543381 5.803822\nLi Co O\n4 2 6\ndirect\n0.662854 0.662854 0.663382 Li\n0.000000 0.000000 0.000000 Li\n0.337146 0.337146 0.336618 Li\n0.000000 0.000000 0.500000 Li\n0.338462 0.338462 0.819351 Co\n0.661538 0.661538 0.180649 Co\n0.821343 0.821343 0.072473 O\n0.169196 0.169196 0.393470 O\n0.484985 0.484985 0.762005 O\n0.515015 0.515015 0.237995 O\n0.830804 0.830804 0.606530 O\n0.178657 0.178657 0.927527 O\n",
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{
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"structure_string": "Ce16 Ni36 P22\n1.0\n9.079772 -15.726626 0.000000\n9.079772 15.726626 0.000000\n0.000000 0.000000 3.875299\nCe Ni P\n16 36 22\ndirect\n0.380718 0.190359 0.000000 Ce\n0.110904 0.221809 0.500000 Ce\n0.550842 0.665698 0.500000 Ce\n0.334302 0.449158 0.500000 Ce\n0.778191 0.889096 0.500000 Ce\n0.334302 0.885144 0.500000 Ce\n0.114856 0.665698 0.500000 Ce\n0.809641 0.619282 0.000000 Ce\n0.593443 0.186886 0.000000 Ce\n0.110904 0.889096 0.500000 Ce\n0.809641 0.190359 0.000000 Ce\n0.813114 0.406557 0.000000 Ce\n0.114856 0.449158 0.500000 Ce\n0.593443 0.406557 0.000000 Ce\n0.333333 0.666667 0.500000 Ce\n0.550842 0.885144 0.500000 Ce\n0.623578 0.811789 0.000000 Ni\n0.734218 0.697484 0.500000 Ni\n0.410285 0.374014 0.000000 Ni\n0.963265 0.265782 0.500000 Ni\n0.044552 0.955448 0.000000 Ni\n0.739286 0.260714 0.500000 Ni\n0.739286 0.478571 0.500000 Ni\n0.963729 0.374014 0.000000 Ni\n0.517915 0.482085 0.500000 Ni\n0.964979 0.797645 0.000000 Ni\n0.517915 0.035829 0.500000 Ni\n0.949086 0.050914 0.500000 Ni\n0.302516 0.265782 0.500000 Ni\n0.188211 0.376422 0.000000 Ni\n0.187524 0.593762 0.000000 Ni\n0.832666 0.035021 0.000000 Ni\n0.949086 0.898172 0.500000 Ni\n0.734218 0.036735 0.500000 Ni\n0.101828 0.050914 0.500000 Ni\n0.202355 0.035021 0.000000 Ni\n0.625986 0.036271 0.000000 Ni\n0.963265 0.697484 0.500000 Ni\n0.188211 0.811789 0.000000 Ni\n0.521429 0.260714 0.500000 Ni\n0.910896 0.955448 0.000000 Ni\n0.406238 0.593762 0.000000 Ni\n0.202355 0.167334 0.000000 Ni\n0.044552 0.089104 0.000000 Ni\n0.964171 0.482085 0.500000 Ni\n0.964979 0.167334 0.000000 Ni\n0.406238 0.812476 0.000000 Ni\n0.832666 0.797645 0.000000 Ni\n0.963729 0.589715 0.000000 Ni\n0.302516 0.036735 0.500000 Ni\n0.410285 0.036271 0.000000 Ni\n0.625986 0.589715 0.000000 Ni\n0.262639 0.307699 0.000000 P\n0.450295 0.334756 0.500000 P\n0.880105 0.119895 0.500000 P\n0.239790 0.119895 0.500000 P\n0.478520 0.957039 0.000000 P\n0.692301 0.737361 0.000000 P\n0.478137 0.739068 0.000000 P\n0.045059 0.307699 0.000000 P\n0.042961 0.521480 0.000000 P\n0.260932 0.521863 0.000000 P\n0.666667 0.333333 0.500000 P\n0.260932 0.739068 0.000000 P\n0.262639 0.954941 0.000000 P\n0.450295 0.115539 0.500000 P\n0.884461 0.549705 0.500000 P\n0.665244 0.115539 0.500000 P\n0.045059 0.737361 0.000000 P\n0.665244 0.549705 0.500000 P\n0.884461 0.334756 0.500000 P\n0.478520 0.521480 0.000000 P\n0.880105 0.760210 0.500000 P\n0.692301 0.954941 0.000000 P\n",
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{
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