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{
"id": "mp-1192299",
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"structure_string": "Sb8 Br2 O12\n1.0\n2.069363 9.582824 0.000000\n-2.069363 9.582824 0.000000\n0.000000 3.594375 10.253383\nSb Br O\n8 2 12\ndirect\n0.266948 0.266948 0.823826 Sb\n0.733052 0.733052 0.176174 Sb\n0.497057 0.497057 0.716613 Sb\n0.502943 0.502943 0.283387 Sb\n0.079272 0.079272 0.023679 Sb\n0.920728 0.920728 0.976321 Sb\n0.309978 0.309978 0.345754 Sb\n0.690022 0.690022 0.654246 Sb\n0.108550 0.108550 0.484315 Br\n0.891450 0.891450 0.515685 Br\n0.265634 0.265634 0.198669 O\n0.734366 0.734366 0.801331 O\n0.032186 0.032186 0.219674 O\n0.967814 0.967814 0.780326 O\n0.430021 0.430021 0.914868 O\n0.569979 0.569979 0.085132 O\n0.203360 0.203360 0.702960 O\n0.796640 0.796640 0.297040 O\n0.186257 0.186257 0.000072 O\n0.813743 0.813743 0.999928 O\n0.414800 0.414800 0.223269 O\n0.585200 0.585200 0.776731 O\n",
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{
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0.121609 0.745968 C\n0.573600 0.309368 0.164828 C\n0.926400 0.690632 0.664828 C\n0.426400 0.809368 0.335172 C\n0.073600 0.190632 0.835172 C\n0.080810 0.433526 0.083207 C\n0.419190 0.566474 0.583207 C\n0.919190 0.933526 0.416793 C\n0.580810 0.066474 0.916793 C\n0.995604 0.506947 0.128247 C\n0.504396 0.493053 0.628247 C\n0.004396 0.006947 0.371753 C\n0.495604 0.993053 0.871753 C\n0.454364 0.033376 0.509991 C\n0.045636 0.966624 0.009991 C\n0.545636 0.533376 0.990009 C\n0.954364 0.466624 0.490009 C\n0.041232 0.122502 0.303164 C\n0.458768 0.877498 0.803164 C\n0.958768 0.622502 0.196836 C\n0.541232 0.377498 0.696836 C\n0.083356 0.358675 0.539491 C\n0.416644 0.641325 0.039491 C\n0.916644 0.858675 0.960509 C\n0.583356 0.141325 0.460509 C\n0.107963 0.033013 0.066868 C\n0.392037 0.966987 0.566868 C\n0.892037 0.533013 0.433132 C\n0.607963 0.466987 0.933132 C\n0.009163 0.206635 0.254805 C\n0.490837 0.793365 0.754805 C\n0.990837 0.706635 0.245195 C\n0.509163 0.293365 0.745195 C\n0.497464 0.289155 0.224560 N\n0.002536 0.710845 0.724560 N\n0.502536 0.789155 0.275440 N\n0.997464 0.210845 0.775440 N\n0.413669 0.032713 0.440389 N\n0.086331 0.967287 0.940389 N\n0.586331 0.532713 0.059611 N\n0.913669 0.467287 0.559611 N\n0.498933 0.103722 0.408374 N\n0.001067 0.896278 0.908374 N\n0.501067 0.603722 0.091626 N\n0.998933 0.396278 0.591626 N\n0.162221 0.019075 0.365621 N\n0.337779 0.980925 0.865621 N\n0.837779 0.519075 0.134379 N\n0.662221 0.480925 0.634379 N\n0.060571 0.399661 0.475807 N\n0.439429 0.600339 0.975808 N\n0.939429 0.899661 0.024192 N\n0.560571 0.100339 0.524192 N\n0.184898 0.094642 0.320451 N\n0.315102 0.905358 0.820451 N\n0.815102 0.594642 0.179549 N\n0.684898 0.405358 0.679549 N\n0.074463 0.570640 0.166652 N\n0.425537 0.429360 0.666652 N\n0.925537 0.070640 0.333348 N\n0.574463 0.929360 0.833348 N\n0.605023 0.405827 0.159106 N\n0.894977 0.594173 0.659106 N\n0.394977 0.905827 0.340894 N\n0.105023 0.094173 0.840894 N\n0.543880 0.450418 0.217058 N\n0.956120 0.549582 0.717058 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F\n0.272049 0.458164 0.309171 F\n0.227951 0.541836 0.809171 F\n0.727951 0.958164 0.190829 F\n0.772049 0.041836 0.690829 F\n0.025585 0.341811 0.091787 F\n0.474415 0.658189 0.591787 F\n0.974415 0.841811 0.408213 F\n0.525585 0.158189 0.908213 F\n",
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"formula_full": "Ag4 B4 H4 C48 N36 F72",
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"updated_at": "2021-11-28T01:34:26.152000Z",
"spacegroup": 19
},
{
"id": "mp-1181798",
"created_at": "2022-09-04T14:39:06.326677Z",
"structure_string": "K4 Na4 Ti4 H8 O12 F16\n1.0\n11.071314 0.427966 0.000000\n-2.371897 10.087969 0.000000\n0.000000 0.000000 6.419980\nK Na Ti H O F\n4 4 4 8 12 16\ndirect\n0.365692 0.347786 0.664756 K\n0.634308 0.152214 0.164756 K\n0.634308 0.652214 0.335244 K\n0.365692 0.847786 0.835244 K\n0.099689 0.720368 0.433014 Na\n0.900311 0.779632 0.933014 Na\n0.900311 0.279632 0.566986 Na\n0.099689 0.220368 0.066986 Na\n0.151750 0.519844 0.940075 Ti\n0.848250 0.980156 0.440075 Ti\n0.848250 0.480156 0.059925 Ti\n0.151750 0.019844 0.559925 Ti\n0.356245 0.948184 0.361756 H\n0.643755 0.551816 0.861756 H\n0.643755 0.051816 0.638244 H\n0.356245 0.448184 0.138244 H\n0.005167 0.492500 0.444092 H\n0.994833 0.007500 0.944092 H\n0.994833 0.507500 0.555908 H\n0.005167 0.992500 0.055908 H\n0.446114 0.925688 0.255405 O\n0.553886 0.574312 0.755405 O\n0.553886 0.074312 0.744595 O\n0.446114 0.425688 0.244595 O\n0.274400 0.452006 0.027494 O\n0.725600 0.047994 0.527494 O\n0.725600 0.547994 0.972506 O\n0.274400 0.952006 0.472506 O\n0.479037 0.828033 0.365564 O\n0.520963 0.671967 0.865564 O\n0.520963 0.171967 0.634436 O\n0.479037 0.328033 0.134436 O\n0.026820 0.423567 0.138579 F\n0.973180 0.076433 0.638579 F\n0.973180 0.576433 0.861421 F\n0.026820 0.923567 0.361421 F\n0.214085 0.620382 0.705135 F\n0.785915 0.879618 0.205135 F\n0.785915 0.379618 0.294865 F\n0.214085 0.120382 0.794865 F\n0.176171 0.670341 0.115196 F\n0.823829 0.829659 0.615196 F\n0.823829 0.329659 0.884804 F\n0.176171 0.170341 0.384804 F\n0.092280 0.368754 0.766380 F\n0.907720 0.131246 0.266380 F\n0.907720 0.631246 0.233620 F\n0.092280 0.868754 0.733620 F\n",
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{
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{
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{
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"structure_string": "Be4 Tl4 Co2 O12 F16\n1.0\n-5.503873 0.000000 1.748266\n-0.187250 0.000000 -10.642670\n0.000000 -9.776948 0.000000\nBe Tl Co O F\n4 4 2 12 16\ndirect\n0.773590 0.587335 0.858701 Be\n0.226410 0.412665 0.141299 Be\n0.226410 0.912665 0.358701 Be\n0.773590 0.087335 0.641299 Be\n0.842919 0.612230 0.215413 Tl\n0.157081 0.387770 0.784587 Tl\n0.157081 0.887770 0.715413 Tl\n0.842919 0.112230 0.284587 Tl\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.763816 0.930196 0.971220 O\n0.236184 0.069804 0.028780 O\n0.236184 0.569804 0.471220 O\n0.763816 0.430196 0.528780 O\n0.354676 0.622204 0.581119 O\n0.645324 0.377796 0.418881 O\n0.645324 0.877796 0.081119 O\n0.354676 0.122204 0.918881 O\n0.334188 0.866707 0.893895 O\n0.665812 0.133293 0.106105 O\n0.665812 0.633293 0.393895 O\n0.334188 0.366707 0.606105 O\n0.910760 0.676231 0.740299 F\n0.089240 0.323769 0.259701 F\n0.089240 0.823769 0.240299 F\n0.910760 0.176231 0.759701 F\n0.848165 0.660846 0.999481 F\n0.151835 0.339154 0.000519 F\n0.151835 0.839154 0.499481 F\n0.848165 0.160846 0.500519 F\n0.850046 0.954705 0.647102 F\n0.149954 0.045295 0.352898 F\n0.149954 0.545295 0.147102 F\n0.850046 0.454705 0.852898 F\n0.496352 0.555466 0.843392 F\n0.503648 0.444534 0.156608 F\n0.503648 0.944534 0.343392 F\n0.496352 0.055466 0.656608 F\n",
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{
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}