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{
"id": "mp-779432",
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"structure_string": "Li8 Cr8 P8 O40\n1.0\n10.298292 0.000000 0.000000\n0.000000 8.591798 0.000000\n0.000000 0.000583 9.137232\nLi Cr P O\n8 8 8 40\ndirect\n0.002066 0.247285 0.181215 Li\n0.882802 0.020102 0.834290 Li\n0.382802 0.979898 0.165710 Li\n0.502066 0.752715 0.818785 Li\n0.952497 0.696466 0.474721 Li\n0.610401 0.533721 0.163226 Li\n0.110401 0.466279 0.836774 Li\n0.452497 0.303534 0.525279 Li\n0.389746 0.111337 0.842241 Cr\n0.112500 0.103653 0.641395 Cr\n0.612500 0.896347 0.358605 Cr\n0.889746 0.888663 0.157759 Cr\n0.115536 0.611010 0.153244 Cr\n0.392428 0.608443 0.354319 Cr\n0.892428 0.391557 0.645681 Cr\n0.615536 0.388990 0.846756 Cr\n0.856435 0.096994 0.447148 P\n0.628908 0.077757 0.046840 P\n0.128908 0.922243 0.953160 P\n0.356435 0.903006 0.552852 P\n0.644944 0.597990 0.556817 P\n0.869941 0.580710 0.954184 P\n0.369941 0.419290 0.045816 P\n0.144944 0.402010 0.443183 P\n0.004367 0.262101 0.735868 O\n0.490908 0.254137 0.747077 O\n0.368996 0.243017 0.017533 O\n0.132417 0.225495 0.467151 O\n0.243750 0.191938 0.740088 O\n0.906345 0.069737 0.287723 O\n0.573198 0.048977 0.201987 O\n0.714145 0.049296 0.464333 O\n0.443655 0.993222 0.441895 O\n0.268647 0.983246 0.974640 O\n0.034371 0.007730 0.060270 O\n0.534371 0.992270 0.939730 O\n0.768647 0.016754 0.025360 O\n0.943655 0.006778 0.558105 O\n0.214145 0.950704 0.535667 O\n0.073198 0.951023 0.798013 O\n0.406345 0.930263 0.712277 O\n0.743750 0.808062 0.259912 O\n0.632417 0.774505 0.532849 O\n0.868996 0.756983 0.982467 O\n0.504367 0.737899 0.264132 O\n0.990908 0.745863 0.252923 O\n0.131385 0.746148 0.981406 O\n0.365311 0.725436 0.531123 O\n0.249722 0.692919 0.254782 O\n0.600237 0.573308 0.717167 O\n0.922347 0.552980 0.797600 O\n0.789524 0.555559 0.534937 O\n0.054641 0.499221 0.547331 O\n0.230955 0.480554 0.019689 O\n0.467977 0.505319 0.942576 O\n0.967977 0.494681 0.057424 O\n0.730955 0.519446 0.980311 O\n0.554641 0.500779 0.452669 O\n0.289524 0.444441 0.465063 O\n0.422347 0.447020 0.202400 O\n0.100237 0.426692 0.282833 O\n0.749722 0.307081 0.745218 O\n0.865311 0.274564 0.468877 O\n0.631385 0.253852 0.018594 O\n",
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"formula_full": "Li8 Cr8 P8 O40",
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"spacegroup": 4
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{
"id": "mp-754822",
"created_at": "2022-09-04T14:46:18.852347Z",
"structure_string": "Li4 Ti3 Sn5 O16\n1.0\n3.101342 5.406105 0.000000\n-3.101342 5.406105 0.000000\n0.000000 0.021623 10.699356\nLi Ti Sn O\n4 3 5 16\ndirect\n0.668252 0.668252 0.132273 Li\n0.990052 0.990052 0.003797 Li\n0.994147 0.994147 0.499091 Li\n0.335631 0.335631 0.609786 Li\n0.826007 0.826007 0.778191 Ti\n0.658623 0.170556 0.284230 Ti\n0.170556 0.658623 0.284230 Ti\n0.669921 0.669921 0.489393 Sn\n0.337859 0.337859 0.991688 Sn\n0.332172 0.832132 0.779834 Sn\n0.832132 0.332172 0.779834 Sn\n0.166259 0.166259 0.283348 Sn\n0.296301 0.844930 0.390380 O\n0.509964 0.509964 0.675271 O\n0.671610 0.671610 0.886535 O\n0.995396 0.995396 0.677830 O\n0.996056 0.996056 0.183824 O\n0.844930 0.296301 0.390380 O\n0.524503 0.980418 0.681317 O\n0.980418 0.524503 0.681317 O\n0.149621 0.149621 0.890377 O\n0.854720 0.854720 0.384953 O\n0.020527 0.504971 0.189166 O\n0.504971 0.020527 0.189166 O\n0.341392 0.341392 0.388975 O\n0.141174 0.701042 0.887767 O\n0.487652 0.487652 0.191791 O\n0.701042 0.141174 0.887767 O\n",
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],
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"formula_full": "Li4 Ti3 Sn5 O16",
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{
"id": "mp-1021521",
"created_at": "2022-09-04T14:46:18.858511Z",
"structure_string": "Li1 Ce1 Mg6\n1.0\n6.670498 -0.036878 0.000000\n-3.367187 5.758381 0.000000\n0.000000 0.000000 5.170786\nLi Ce Mg\n1 1 6\ndirect\n0.159592 0.340408 0.250000 Li\n0.332149 0.167851 0.750000 Ce\n0.165893 0.824424 0.250000 Mg\n0.675576 0.334107 0.250000 Mg\n0.668654 0.831346 0.250000 Mg\n0.320292 0.662252 0.750000 Mg\n0.837748 0.179708 0.750000 Mg\n0.840095 0.659905 0.750000 Mg\n",
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"formula_full": "Li1 Ce1 Mg6",
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{
"id": "mp-1176596",
"created_at": "2022-09-04T14:46:18.860559Z",
"structure_string": "Li2 V6 O2 F22\n1.0\n-5.239963 0.000000 0.000000\n0.077150 5.443135 0.000000\n-0.020778 -2.676005 -15.193707\nLi V O F\n2 6 2 22\ndirect\n0.967627 0.700986 0.734114 Li\n0.032373 0.299014 0.265886 Li\n0.013711 0.193270 0.837730 V\n0.500000 0.000000 0.500000 V\n0.519420 0.339316 0.162875 V\n0.986289 0.806730 0.162270 V\n0.480580 0.660684 0.837125 V\n0.000000 0.500000 0.500000 V\n0.187801 0.464508 0.808254 O\n0.812199 0.535492 0.191746 O\n0.305641 0.620593 0.141089 F\n0.694359 0.379407 0.858911 F\n0.077507 0.929732 0.277809 F\n0.414915 0.067356 0.612634 F\n0.085721 0.225123 0.950140 F\n0.585085 0.932644 0.387366 F\n0.572508 0.248728 0.049375 F\n0.922493 0.070268 0.722191 F\n0.196403 0.785109 0.475644 F\n0.298208 0.946276 0.809099 F\n0.193309 0.121323 0.146009 F\n0.699767 0.709594 0.523705 F\n0.806691 0.878677 0.853991 F\n0.388715 0.405732 0.276282 F\n0.089802 0.574627 0.615245 F\n0.427492 0.751272 0.950625 F\n0.914279 0.774877 0.049860 F\n0.910198 0.425373 0.384755 F\n0.611285 0.594268 0.723718 F\n0.300233 0.290406 0.476295 F\n0.701792 0.053724 0.190901 F\n0.803597 0.214891 0.524356 F\n",
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"formula_full": "Li2 V6 O2 F22",
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{
"id": "mp-1199233",
"created_at": "2022-09-04T14:46:18.882244Z",
"structure_string": "Cs8 Te4 P4 O40\n1.0\n18.751255 0.000000 0.000000\n0.000000 7.299957 0.000000\n0.000000 7.143198 8.403434\nCs Te P O\n8 4 4 40\ndirect\n0.841402 0.225855 0.018767 Cs\n0.658598 0.225855 0.518767 Cs\n0.158598 0.774145 0.981233 Cs\n0.341402 0.774145 0.481233 Cs\n0.052312 0.572815 0.661086 Cs\n0.447688 0.572815 0.161086 Cs\n0.947688 0.427185 0.338914 Cs\n0.552312 0.427185 0.838914 Cs\n0.689258 0.731660 0.014440 Te\n0.810742 0.731660 0.514440 Te\n0.310742 0.268340 0.985560 Te\n0.189258 0.268340 0.485560 Te\n0.950871 0.918076 0.822736 P\n0.549129 0.918076 0.322736 P\n0.049129 0.081924 0.177264 P\n0.450871 0.081924 0.677264 P\n0.512062 0.905335 0.785645 O\n0.987938 0.905335 0.285645 O\n0.487938 0.094665 0.214355 O\n0.012062 0.094665 0.714355 O\n0.881862 0.039233 0.720941 O\n0.618138 0.039233 0.220941 O\n0.118138 0.960767 0.279059 O\n0.381862 0.960767 0.779059 O\n0.620809 0.990630 0.903198 O\n0.879191 0.990630 0.403198 O\n0.379191 0.009370 0.096802 O\n0.120809 0.009370 0.596802 O\n0.759133 0.996961 0.897364 O\n0.740867 0.996961 0.397364 O\n0.240867 0.003039 0.102636 O\n0.259133 0.003039 0.602636 O\n0.775523 0.541735 0.121178 O\n0.724477 0.541735 0.621178 O\n0.224477 0.458265 0.878822 O\n0.275523 0.458265 0.378822 O\n0.620658 0.485223 0.147130 O\n0.879342 0.485223 0.647130 O\n0.379342 0.514777 0.852870 O\n0.120658 0.514777 0.352870 O\n0.719386 0.808994 0.149749 O\n0.780614 0.808994 0.649749 O\n0.280614 0.191006 0.850251 O\n0.219386 0.191006 0.350251 O\n0.543095 0.675166 0.362677 O\n0.956905 0.675166 0.862677 O\n0.456905 0.324834 0.637323 O\n0.043095 0.324834 0.137323 O\n0.818772 0.641036 0.386512 O\n0.681228 0.641036 0.886512 O\n0.181228 0.358964 0.613488 O\n0.318772 0.358964 0.113488 O\n0.947187 0.891367 0.972683 O\n0.552813 0.891367 0.472683 O\n0.052813 0.108633 0.027317 O\n0.447187 0.108633 0.527317 O\n",
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"formula_full": "Cs8 Te4 P4 O40",
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{
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"created_at": "2022-09-04T14:46:18.913685Z",
"structure_string": "Rb4 Cd4 Cl12\n1.0\n4.119400 0.000000 0.000000\n0.000000 9.212283 0.000000\n0.000000 0.000000 15.312630\nRb Cd Cl\n4 4 12\ndirect\n0.750000 0.569710 0.174162 Rb\n0.250000 0.430290 0.825838 Rb\n0.750000 0.069710 0.325838 Rb\n0.250000 0.930290 0.674162 Rb\n0.750000 0.835084 0.944105 Cd\n0.250000 0.164916 0.055895 Cd\n0.750000 0.335084 0.555895 Cd\n0.250000 0.664916 0.444105 Cd\n0.750000 0.976394 0.097596 Cl\n0.750000 0.326280 0.996232 Cl\n0.250000 0.173720 0.496232 Cl\n0.750000 0.826280 0.503768 Cl\n0.250000 0.781674 0.293522 Cl\n0.750000 0.218326 0.706478 Cl\n0.250000 0.281674 0.206478 Cl\n0.250000 0.023606 0.902404 Cl\n0.750000 0.476393 0.402404 Cl\n0.250000 0.523606 0.597596 Cl\n0.750000 0.718326 0.793522 Cl\n0.250000 0.673720 0.003768 Cl\n",
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{
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"structure_string": "Ca8 B16 O32\n1.0\n5.055468 0.000000 0.000000\n0.000000 8.434147 0.000000\n0.000000 0.000000 14.001416\nCa B O\n8 16 32\ndirect\n0.619107 0.384746 0.356461 Ca\n0.619107 0.115254 0.143539 Ca\n0.880893 0.884746 0.643539 Ca\n0.880893 0.615254 0.856461 Ca\n0.380893 0.615254 0.643539 Ca\n0.380893 0.884746 0.856461 Ca\n0.119107 0.115254 0.356461 Ca\n0.119107 0.384746 0.143539 Ca\n0.869474 0.745492 0.448915 B\n0.869474 0.754508 0.051085 B\n0.630526 0.245492 0.551085 B\n0.630526 0.254508 0.948915 B\n0.130526 0.254508 0.551085 B\n0.130526 0.245492 0.948915 B\n0.369474 0.754508 0.448915 B\n0.369474 0.745492 0.051085 B\n0.623995 0.536685 0.137915 B\n0.623995 0.963315 0.362085 B\n0.876005 0.036685 0.862085 B\n0.876005 0.463315 0.637915 B\n0.376005 0.463315 0.862085 B\n0.376005 0.036685 0.637915 B\n0.123995 0.963315 0.137915 B\n0.123995 0.536685 0.362085 B\n0.356874 0.888639 0.114184 O\n0.356874 0.611361 0.385816 O\n0.143126 0.388639 0.885816 O\n0.143126 0.111361 0.614184 O\n0.643126 0.111361 0.885816 O\n0.643126 0.388639 0.614184 O\n0.856874 0.611361 0.114184 O\n0.856874 0.888639 0.385816 O\n0.628304 0.394781 0.186119 O\n0.628304 0.105219 0.313881 O\n0.871696 0.894781 0.813881 O\n0.871696 0.605219 0.686119 O\n0.371696 0.605219 0.813881 O\n0.371696 0.894781 0.686119 O\n0.128304 0.105219 0.186119 O\n0.128304 0.394781 0.313881 O\n0.119713 0.741101 0.992227 O\n0.119713 0.758899 0.507773 O\n0.380287 0.241101 0.007773 O\n0.380287 0.258899 0.492227 O\n0.880287 0.258899 0.007773 O\n0.880287 0.241101 0.492227 O\n0.619713 0.758899 0.992227 O\n0.619713 0.741101 0.507773 O\n0.385629 0.600586 0.110063 O\n0.385629 0.899414 0.389937 O\n0.114371 0.100586 0.889937 O\n0.114371 0.399414 0.610063 O\n0.614371 0.399414 0.889937 O\n0.614371 0.100586 0.610063 O\n0.885629 0.899414 0.110063 O\n0.885629 0.600586 0.389937 O\n",
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{
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"structure_string": "Zr1 Be5\n1.0\n2.282592 -3.953566 0.000000\n2.282592 3.953566 0.000000\n0.000000 0.000000 3.460462\nZr Be\n1 5\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.000000 Be\n0.666667 0.333333 0.000000 Be\n0.500000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Be\n0.000000 0.500000 0.500000 Be\n",
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