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{
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{
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{
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"structure_string": "Fe4 H8 Cl20 O12\n1.0\n6.557638 0.000000 0.000000\n0.000000 8.531465 0.000000\n0.000000 0.000000 19.090682\nFe H Cl O\n4 8 20 12\ndirect\n0.884270 0.250000 0.088506 Fe\n0.615730 0.250000 0.588506 Fe\n0.115730 0.750000 0.911494 Fe\n0.384270 0.750000 0.411494 Fe\n0.533057 0.060002 0.346234 H\n0.966943 0.439998 0.846234 H\n0.466943 0.560002 0.653766 H\n0.033057 0.939998 0.153766 H\n0.466943 0.939998 0.653766 H\n0.033057 0.560002 0.153766 H\n0.533057 0.439998 0.346234 H\n0.966943 0.060002 0.846234 H\n0.215919 0.250000 0.109436 Cl\n0.284081 0.250000 0.609436 Cl\n0.784081 0.750000 0.890564 Cl\n0.715919 0.750000 0.390564 Cl\n0.679380 0.250000 0.289236 Cl\n0.820620 0.250000 0.789236 Cl\n0.320620 0.750000 0.710764 Cl\n0.179380 0.750000 0.210764 Cl\n0.756663 0.029815 0.142631 Cl\n0.743337 0.470185 0.642631 Cl\n0.243337 0.529815 0.857369 Cl\n0.256663 0.970185 0.357369 Cl\n0.243337 0.970185 0.857369 Cl\n0.256663 0.529815 0.357369 Cl\n0.756663 0.470185 0.142631 Cl\n0.743337 0.029815 0.642631 Cl\n0.602911 0.250000 0.984856 Cl\n0.897089 0.250000 0.484856 Cl\n0.397089 0.750000 0.015144 Cl\n0.102911 0.750000 0.515144 Cl\n0.860521 0.250000 0.989984 O\n0.639479 0.250000 0.489984 O\n0.139479 0.750000 0.010016 O\n0.360521 0.750000 0.510016 O\n0.181851 0.594375 0.162298 O\n0.318149 0.905625 0.662298 O\n0.818149 0.094375 0.837702 O\n0.681851 0.405625 0.337702 O\n0.818149 0.405625 0.837702 O\n0.681851 0.094375 0.337702 O\n0.181851 0.905625 0.162298 O\n0.318149 0.594375 0.662298 O\n",
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"formula_full": "Fe4 H8 Cl20 O12",
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},
{
"id": "mp-777766",
"created_at": "2022-09-04T14:47:09.719255Z",
"structure_string": "Li24 Nb8 H8 O16 F56\n1.0\n6.563820 0.000000 0.000000\n0.000000 13.001900 0.000000\n0.000000 0.000000 14.251845\nLi Nb H O F\n24 8 8 16 56\ndirect\n0.202779 0.345364 0.266915 Li\n0.202779 0.845364 0.733085 Li\n0.231315 0.366543 0.995881 Li\n0.231315 0.866543 0.004119 Li\n0.230844 0.562698 0.119176 Li\n0.230844 0.062698 0.880824 Li\n0.269156 0.062698 0.380824 Li\n0.269156 0.562698 0.619176 Li\n0.268685 0.366543 0.495881 Li\n0.268685 0.866543 0.504119 Li\n0.297221 0.845364 0.233085 Li\n0.297221 0.345364 0.766915 Li\n0.702779 0.654636 0.233085 Li\n0.702779 0.154636 0.766915 Li\n0.731315 0.133457 0.495881 Li\n0.731315 0.633457 0.504119 Li\n0.730844 0.437302 0.380824 Li\n0.730844 0.937302 0.619176 Li\n0.769156 0.437302 0.880824 Li\n0.769156 0.937302 0.119176 Li\n0.768685 0.133457 0.995881 Li\n0.768685 0.633457 0.004119 Li\n0.797221 0.154636 0.266915 Li\n0.797221 0.654636 0.733085 Li\n0.241773 0.608813 0.368458 Nb\n0.241773 0.108813 0.631542 Nb\n0.258227 0.108813 0.131542 Nb\n0.258227 0.608813 0.868458 Nb\n0.741773 0.391187 0.131542 Nb\n0.741773 0.891187 0.868458 Nb\n0.758227 0.891187 0.368458 Nb\n0.758227 0.391187 0.631542 Nb\n0.000000 0.250000 0.401360 H\n0.000000 0.750000 0.116470 H\n0.000000 0.250000 0.883530 H\n0.000000 0.750000 0.598640 H\n0.500000 0.750000 0.616470 H\n0.500000 0.750000 0.098640 H\n0.500000 0.250000 0.901360 H\n0.500000 0.250000 0.383530 H\n0.029038 0.353271 0.676784 O\n0.029038 0.853271 0.323216 O\n0.043664 0.426153 0.598834 O\n0.043664 0.926153 0.401166 O\n0.456336 0.426153 0.098834 O\n0.456336 0.926153 0.901166 O\n0.470962 0.353271 0.176784 O\n0.470962 0.853271 0.823216 O\n0.529038 0.146729 0.176784 O\n0.529038 0.646729 0.823216 O\n0.543664 0.073847 0.098834 O\n0.543664 0.573847 0.901166 O\n0.956336 0.573847 0.401166 O\n0.956336 0.073847 0.598834 O\n0.970962 0.646729 0.323216 O\n0.970962 0.146729 0.676784 O\n0.039343 0.336810 0.399800 F\n0.039343 0.836810 0.600200 F\n0.021834 0.838288 0.115623 F\n0.021834 0.338288 0.884377 F\n0.051563 0.407513 0.132290 F\n0.051563 0.907513 0.867710 F\n0.182140 0.198003 0.242144 F\n0.182140 0.698003 0.757856 F\n0.213231 0.017706 0.017431 F\n0.213231 0.517706 0.982569 F\n0.222293 0.225173 0.046286 F\n0.222293 0.725173 0.953714 F\n0.247087 0.993807 0.222503 F\n0.247087 0.493807 0.777497 F\n0.252913 0.493807 0.277497 F\n0.252913 0.993807 0.722503 F\n0.277707 0.725173 0.453714 F\n0.277707 0.225173 0.546286 F\n0.286769 0.017706 0.517431 F\n0.286769 0.517706 0.482569 F\n0.317860 0.698003 0.257856 F\n0.317860 0.198003 0.742144 F\n0.448437 0.407513 0.632290 F\n0.448437 0.907513 0.367710 F\n0.478166 0.838288 0.615623 F\n0.478166 0.338288 0.384377 F\n0.460657 0.836810 0.100200 F\n0.460657 0.336810 0.899800 F\n0.539343 0.663190 0.100200 F\n0.539343 0.163190 0.899800 F\n0.521834 0.661712 0.615623 F\n0.521834 0.161712 0.384377 F\n0.551563 0.092487 0.632290 F\n0.551563 0.592487 0.367710 F\n0.682140 0.801997 0.257856 F\n0.682140 0.301997 0.742144 F\n0.713231 0.982294 0.482569 F\n0.713231 0.482294 0.517431 F\n0.722293 0.774827 0.453714 F\n0.722293 0.274827 0.546286 F\n0.747087 0.506193 0.722503 F\n0.747087 0.006193 0.277497 F\n0.752913 0.506193 0.222503 F\n0.752913 0.006193 0.777497 F\n0.777707 0.274827 0.046286 F\n0.777707 0.774827 0.953714 F\n0.786769 0.482294 0.017431 F\n0.786769 0.982294 0.982569 F\n0.817860 0.301997 0.242144 F\n0.817860 0.801997 0.757856 F\n0.948437 0.092487 0.132290 F\n0.948437 0.592487 0.867710 F\n0.978166 0.661712 0.115623 F\n0.978166 0.161712 0.884377 F\n0.960657 0.163190 0.399800 F\n0.960657 0.663190 0.600200 F\n",
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{
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"structure_string": "Ca2 Bi4 O8\n1.0\n-3.474956 3.586771 4.901849\n3.474956 -3.586771 4.901849\n3.474956 3.586771 -4.901849\nCa Bi O\n2 4 8\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.123400 0.873400 0.250000 Bi\n0.876600 0.126600 0.750000 Bi\n0.500000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.744357 0.259640 0.015283 O\n0.737530 0.256962 0.480569 O\n0.744357 0.729073 0.484717 O\n0.276393 0.256962 0.019431 O\n0.723607 0.743038 0.980569 O\n0.262470 0.743038 0.519431 O\n0.255643 0.270927 0.515283 O\n0.255643 0.740360 0.984717 O\n",
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{
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"structure_string": "Hf1 Mg6 Bi1 O8\n1.0\n10.466892 -0.000000 0.000000\n0.000000 4.403843 0.000000\n0.000000 -0.000000 4.403843\nHf Mg Bi O\n1 6 1 8\ndirect\n0.500000 0.000000 -0.000000 Hf\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.231479 -0.000000 0.500000 Mg\n0.768521 0.000000 0.500000 Mg\n0.231479 0.500000 -0.000000 Mg\n0.768521 0.500000 0.000000 Mg\n0.000000 0.000000 -0.000000 Bi\n0.303956 0.000000 0.000000 O\n0.696044 -0.000000 -0.000000 O\n0.212793 0.500000 0.500000 O\n0.787207 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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{
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{
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{
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"structure_string": "Li2 Mn4 O4 F6\n1.0\n3.796009 -0.000051 0.000000\n1.897938 4.924794 0.000003\n0.000000 0.000007 10.575628\nLi Mn O F\n2 4 4 6\ndirect\n0.831061 0.337969 0.249998 Li\n0.168938 0.662032 0.749999 Li\n0.843962 0.311969 0.941924 Mn\n0.156046 0.688018 0.441927 Mn\n0.843959 0.311972 0.558078 Mn\n0.156037 0.688035 0.058079 Mn\n0.691573 0.616941 0.443050 O\n0.691564 0.616957 0.056958 O\n0.308437 0.383043 0.556957 O\n0.308427 0.383061 0.943050 O\n0.750626 0.498680 0.749996 F\n0.249372 0.501321 0.249996 F\n0.971927 0.056172 0.120265 F\n0.971944 0.056147 0.379728 F\n0.028073 0.943828 0.620265 F\n0.028054 0.943856 0.879729 F\n",
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