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{
"id": "mp-1185345",
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"structure_string": "Li2 Er6\n1.0\n3.457469 -5.988511 0.000000\n3.457469 5.988511 0.000000\n0.000000 0.000000 5.496054\nLi Er\n2 6\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n0.831424 0.168576 0.750000 Er\n0.337151 0.168576 0.750000 Er\n0.831424 0.662849 0.750000 Er\n0.168576 0.831424 0.250000 Er\n0.662849 0.831424 0.250000 Er\n0.168576 0.337151 0.250000 Er\n",
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{
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"formula_full": "Na6 Mn4 P4 C4 O28",
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"spacegroup": 2
},
{
"id": "mp-707459",
"created_at": "2022-09-04T14:42:23.116985Z",
"structure_string": "Na8 Zn4 P8 H40 O48\n1.0\n13.449960 0.000000 0.000000\n0.000000 9.050689 0.000000\n0.000000 4.531346 9.139162\nNa Zn P H O\n8 4 8 40 48\ndirect\n0.464738 0.835462 0.863442 Na\n0.964738 0.164538 0.636558 Na\n0.535262 0.164538 0.136558 Na\n0.035262 0.835462 0.363442 Na\n0.276201 0.680208 0.698061 Na\n0.776201 0.319792 0.801939 Na\n0.723799 0.319792 0.301939 Na\n0.223799 0.680208 0.198061 Na\n0.340425 0.403114 0.536771 Zn\n0.840425 0.596886 0.963229 Zn\n0.659575 0.596886 0.463229 Zn\n0.159575 0.403114 0.036771 Zn\n0.439151 0.742884 0.389754 P\n0.939151 0.257116 0.110246 P\n0.560849 0.257116 0.610246 P\n0.060849 0.742884 0.889754 P\n0.187963 0.269811 0.796636 P\n0.687963 0.730189 0.703364 P\n0.812037 0.730189 0.203364 P\n0.312037 0.269811 0.296636 P\n0.359632 0.990760 0.281279 H\n0.859632 0.009240 0.218721 H\n0.640368 0.009240 0.718721 H\n0.140368 0.990760 0.781279 H\n0.023280 0.282152 0.852965 H\n0.523280 0.717848 0.647035 H\n0.976720 0.717848 0.147035 H\n0.476720 0.282152 0.352965 H\n0.646400 0.745024 0.053484 H\n0.146400 0.254976 0.446516 H\n0.353600 0.254976 0.946516 H\n0.853600 0.745024 0.553484 H\n0.558022 0.730803 0.159917 H\n0.058022 0.269197 0.340083 H\n0.441978 0.269197 0.840083 H\n0.941978 0.730803 0.659917 H\n0.607964 0.056884 0.417565 H\n0.107964 0.943116 0.082435 H\n0.392036 0.943116 0.582435 H\n0.892036 0.056884 0.917565 H\n0.684033 0.955138 0.375457 H\n0.184033 0.044862 0.124543 H\n0.315967 0.044862 0.624543 H\n0.815967 0.955138 0.875457 H\n0.702160 0.035912 0.060118 H\n0.202160 0.964088 0.439882 H\n0.297840 0.964088 0.939882 H\n0.797840 0.035912 0.560118 H\n0.631776 0.087046 0.921902 H\n0.131776 0.912954 0.578098 H\n0.368224 0.912954 0.078098 H\n0.868224 0.087046 0.421902 H\n0.648783 0.462984 0.994108 H\n0.148783 0.537016 0.505892 H\n0.351217 0.537016 0.005892 H\n0.851217 0.462984 0.494108 H\n0.577928 0.515122 0.085864 H\n0.077928 0.484878 0.414136 H\n0.422072 0.484878 0.914136 H\n0.922072 0.515122 0.585864 H\n0.356340 0.628782 0.380989 O\n0.856340 0.371218 0.119011 O\n0.643660 0.371218 0.619011 O\n0.143660 0.628782 0.880989 O\n0.459293 0.301361 0.654935 O\n0.959293 0.698639 0.845065 O\n0.540707 0.698639 0.345065 O\n0.040707 0.301361 0.154935 O\n0.237147 0.421353 0.668995 O\n0.737147 0.578647 0.831005 O\n0.762853 0.578647 0.331005 O\n0.262853 0.421353 0.168995 O\n0.284854 0.267344 0.446096 O\n0.784854 0.732656 0.053904 O\n0.715146 0.732656 0.553904 O\n0.215146 0.267344 0.946096 O\n0.440652 0.747246 0.538037 O\n0.940652 0.252754 0.961963 O\n0.559348 0.252754 0.461963 O\n0.059348 0.747246 0.038037 O\n0.415160 0.923975 0.261064 O\n0.915160 0.076025 0.238936 O\n0.584840 0.076025 0.738936 O\n0.084840 0.923975 0.761064 O\n0.071640 0.295024 0.769330 O\n0.571640 0.704976 0.730670 O\n0.928360 0.704976 0.230670 O\n0.428360 0.295024 0.269330 O\n0.219256 0.107674 0.795561 O\n0.719256 0.892326 0.704439 O\n0.780744 0.892326 0.204439 O\n0.280744 0.107674 0.295561 O\n0.573142 0.737994 0.061903 O\n0.073142 0.262006 0.438097 O\n0.426858 0.262006 0.938097 O\n0.926858 0.737994 0.561903 O\n0.646503 0.059076 0.335903 O\n0.146503 0.940924 0.164097 O\n0.353497 0.940924 0.664097 O\n0.853497 0.059076 0.835903 O\n0.662170 0.128394 0.986791 O\n0.162170 0.871606 0.513209 O\n0.337830 0.871606 0.013209 O\n0.837830 0.128394 0.486791 O\n0.614769 0.418967 0.089454 O\n0.114769 0.581033 0.410546 O\n0.385231 0.581033 0.910546 O\n0.885231 0.418967 0.589454 O\n",
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"formula_full": "Na8 Zn4 P8 H40 O48",
"formula_reduced": "Na2ZnP2(H5O6)2",
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"spacegroup": 14
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{
"id": "mp-1223931",
"created_at": "2022-09-04T14:42:23.119576Z",
"structure_string": "K1 Ti6 Se8\n1.0\n4.976277 -8.619164 0.000000\n4.976277 8.619164 0.000000\n0.000000 0.000000 3.587542\nK Ti Se\n1 6 8\ndirect\n0.000000 0.000000 0.500000 K\n0.129491 0.637290 0.250486 Ti\n0.507800 0.870509 0.250486 Ti\n0.362710 0.492200 0.250486 Ti\n0.870509 0.362710 0.749514 Ti\n0.492200 0.129491 0.749514 Ti\n0.637290 0.507800 0.749514 Ti\n0.666667 0.333333 0.249896 Se\n0.333333 0.666667 0.750104 Se\n0.299905 0.949386 0.248246 Se\n0.649481 0.700095 0.248246 Se\n0.050614 0.350519 0.248246 Se\n0.700095 0.050614 0.751754 Se\n0.350519 0.299905 0.751754 Se\n0.949386 0.649481 0.751754 Se\n",
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{
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"structure_string": "Zn1 Cd1 O2\n1.0\n1.723216 -2.984697 0.000000\n1.723216 2.984697 0.000000\n0.000000 0.000000 5.705266\nZn Cd O\n1 1 2\ndirect\n0.000000 0.000000 0.996937 Zn\n0.666667 0.333333 0.490441 Cd\n0.666667 0.333333 0.097991 O\n0.000000 0.000000 0.650632 O\n",
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{
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{
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"structure_string": "La10 Ti10 O34\n1.0\n3.967815 0.000000 0.000000\n0.000000 5.545927 0.000000\n0.000000 0.000000 31.762611\nLa Ti O\n10 10 34\ndirect\n0.000000 0.238648 0.112456 La\n0.500000 0.761352 0.612456 La\n0.000000 0.755741 0.205469 La\n0.500000 0.244259 0.705469 La\n0.000000 0.270539 0.297796 La\n0.500000 0.729461 0.797796 La\n0.000000 0.674224 0.420357 La\n0.500000 0.325776 0.920357 La\n0.500000 0.172649 0.490231 La\n0.000000 0.827351 0.990231 La\n0.500000 0.289286 0.028707 Ti\n0.000000 0.710714 0.528707 Ti\n0.500000 0.760397 0.114518 Ti\n0.000000 0.239603 0.614518 Ti\n0.500000 0.257396 0.205138 Ti\n0.000000 0.742604 0.705138 Ti\n0.500000 0.750648 0.296411 Ti\n0.000000 0.249352 0.796411 Ti\n0.500000 0.216348 0.382002 Ti\n0.000000 0.783652 0.882002 Ti\n0.000000 0.249688 0.034123 O\n0.500000 0.750312 0.534123 O\n0.500000 0.975337 0.070487 O\n0.000000 0.024663 0.570487 O\n0.500000 0.454420 0.084866 O\n0.000000 0.545580 0.584866 O\n0.000000 0.751527 0.123027 O\n0.500000 0.248473 0.623027 O\n0.500000 0.056566 0.153871 O\n0.000000 0.943434 0.653871 O\n0.500000 0.558354 0.171853 O\n0.000000 0.441646 0.671853 O\n0.000000 0.260115 0.204981 O\n0.500000 0.739885 0.704981 O\n0.500000 0.962727 0.239012 O\n0.000000 0.037273 0.739012 O\n0.500000 0.462099 0.256502 O\n0.000000 0.537901 0.756502 O\n0.000000 0.763785 0.287704 O\n0.500000 0.236215 0.787704 O\n0.500000 0.066499 0.981673 O\n0.000000 0.933501 0.481673 O\n0.500000 0.553628 0.993854 O\n0.000000 0.446372 0.493854 O\n0.000000 0.048448 0.916542 O\n0.500000 0.951552 0.416542 O\n0.000000 0.562781 0.929134 O\n0.500000 0.437219 0.429134 O\n0.500000 0.741345 0.876279 O\n0.000000 0.258655 0.376279 O\n0.000000 0.461844 0.840487 O\n0.500000 0.538156 0.340487 O\n0.000000 0.940384 0.825518 O\n0.500000 0.059616 0.325518 O\n",
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{
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