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{
"id": "mp-1786164",
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"structure_string": "Sn2 F8\n1.0\n4.585103 0.002972 -2.104022\n-1.030608 4.411424 -2.221946\n0.257441 0.160751 6.535646\nSn F\n2 8\ndirect\n0.996273 0.498692 0.997267 Sn\n0.498993 0.000074 0.998244 Sn\n0.875586 0.357346 0.215388 F\n0.636883 0.157234 0.774778 F\n0.131095 0.639616 0.781218 F\n0.147187 0.139696 0.782471 F\n0.350209 0.842458 0.224169 F\n0.374758 0.343255 0.225090 F\n0.839784 0.857986 0.215134 F\n0.633879 0.656281 0.773709 F\n",
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{
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"structure_string": "Na40 Gd8 O32\n1.0\n6.072864 0.000000 0.000000\n0.000000 11.868860 0.000000\n0.000000 0.000000 18.457763\nNa Gd O\n40 8 32\ndirect\n0.897505 0.920469 0.426483 Na\n0.602495 0.920469 0.926483 Na\n0.410336 0.941903 0.760062 Na\n0.089664 0.941903 0.260062 Na\n0.133490 0.811611 0.989805 Na\n0.366510 0.811611 0.489805 Na\n0.914892 0.801885 0.817728 Na\n0.585108 0.801885 0.317728 Na\n0.428869 0.801096 0.151229 Na\n0.071131 0.801096 0.651229 Na\n0.928869 0.698904 0.151229 Na\n0.571131 0.698904 0.651229 Na\n0.085108 0.698115 0.317728 Na\n0.414892 0.698115 0.817728 Na\n0.633490 0.688389 0.989805 Na\n0.866510 0.688389 0.489805 Na\n0.589664 0.558097 0.260062 Na\n0.910336 0.558097 0.760062 Na\n0.102495 0.579531 0.926483 Na\n0.397505 0.579531 0.426483 Na\n0.897505 0.420469 0.073517 Na\n0.602495 0.420469 0.573517 Na\n0.089664 0.441903 0.239938 Na\n0.410336 0.441903 0.739938 Na\n0.366510 0.311611 0.010195 Na\n0.133490 0.311611 0.510195 Na\n0.585108 0.301885 0.182272 Na\n0.914892 0.301885 0.682272 Na\n0.428869 0.301096 0.348771 Na\n0.071131 0.301096 0.848771 Na\n0.928869 0.198904 0.348771 Na\n0.571131 0.198904 0.848771 Na\n0.414892 0.198115 0.682272 Na\n0.085108 0.198115 0.182272 Na\n0.633490 0.188389 0.510195 Na\n0.866510 0.188389 0.010195 Na\n0.910336 0.058097 0.739938 Na\n0.589664 0.058097 0.239938 Na\n0.102495 0.079531 0.573517 Na\n0.397505 0.079531 0.073517 Na\n0.864197 0.957145 0.115298 Gd\n0.635803 0.957145 0.615298 Gd\n0.364197 0.542855 0.115298 Gd\n0.135803 0.542855 0.615298 Gd\n0.864197 0.457145 0.384702 Gd\n0.635803 0.457145 0.884702 Gd\n0.364197 0.042855 0.384702 Gd\n0.135803 0.042855 0.884702 Gd\n0.209500 0.950983 0.135316 O\n0.290500 0.950983 0.635316 O\n0.753329 0.863734 0.210677 O\n0.746671 0.863734 0.710677 O\n0.776834 0.853206 0.024057 O\n0.723166 0.853206 0.524057 O\n0.238031 0.865086 0.371248 O\n0.261969 0.865086 0.871248 O\n0.738031 0.634914 0.371248 O\n0.761969 0.634914 0.871248 O\n0.276834 0.646794 0.024057 O\n0.223166 0.646794 0.524057 O\n0.253329 0.636266 0.210677 O\n0.246671 0.636266 0.710677 O\n0.709500 0.549017 0.135316 O\n0.790500 0.549017 0.635316 O\n0.290500 0.450983 0.864684 O\n0.209500 0.450983 0.364684 O\n0.746671 0.363734 0.789323 O\n0.753329 0.363734 0.289323 O\n0.723166 0.353206 0.975943 O\n0.776834 0.353206 0.475943 O\n0.238031 0.365086 0.128752 O\n0.261969 0.365086 0.628752 O\n0.761969 0.134914 0.628752 O\n0.738031 0.134914 0.128752 O\n0.276834 0.146794 0.475943 O\n0.223166 0.146794 0.975943 O\n0.253329 0.136266 0.289323 O\n0.246671 0.136266 0.789323 O\n0.709500 0.049017 0.364684 O\n0.790500 0.049017 0.864684 O\n",
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"density": 3.3569940797257627,
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"volume": 1330.3981360488986,
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"formula_full": "Na40 Gd8 O32",
"formula_reduced": "Na5GdO4",
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{
"id": "mp-1209469",
"created_at": "2022-09-04T14:45:06.569685Z",
"structure_string": "Rb8 Fe4 O2\n1.0\n0.000000 7.260411 7.260411\n7.260411 0.000000 7.260411\n7.260411 7.260411 0.000000\nRb Fe O\n8 4 2\ndirect\n0.357001 0.357001 0.357001 Rb\n0.357001 0.357001 0.928998 Rb\n0.357001 0.928998 0.357001 Rb\n0.892999 0.892999 0.321002 Rb\n0.892999 0.892999 0.892999 Rb\n0.928998 0.357001 0.357001 Rb\n0.892999 0.321002 0.892999 Rb\n0.321002 0.892999 0.892999 Rb\n0.125000 0.125000 0.125000 Fe\n0.125000 0.125000 0.625000 Fe\n0.125000 0.625000 0.125000 Fe\n0.625000 0.125000 0.125000 Fe\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n",
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"volume": 765.4443362999377,
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"formula_full": "Rb8 Fe4 O2",
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"formula_anonymous": "AB2C4",
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{
"id": "mp-771019",
"created_at": "2022-09-04T14:45:07.070520Z",
"structure_string": "Li8 Co4 B4 O16\n1.0\n5.106004 0.000000 0.000000\n0.000000 6.425076 0.000000\n0.000000 0.966072 10.639125\nLi Co B O\n8 4 4 16\ndirect\n0.652458 0.899615 0.792417 Li\n0.847542 0.899615 0.292417 Li\n0.827743 0.782606 0.570665 Li\n0.672257 0.782606 0.070665 Li\n0.327743 0.217394 0.929335 Li\n0.172257 0.217394 0.429335 Li\n0.152458 0.100385 0.707583 Li\n0.347542 0.100385 0.207583 Li\n0.840245 0.497070 0.845891 Co\n0.340245 0.502930 0.654109 Co\n0.659755 0.497070 0.345891 Co\n0.159755 0.502930 0.154109 Co\n0.176344 0.803899 0.936993 B\n0.323656 0.803899 0.436993 B\n0.676344 0.196101 0.563007 B\n0.823656 0.196101 0.063007 B\n0.301432 0.944578 0.856404 O\n0.198568 0.944578 0.356404 O\n0.909552 0.752096 0.923079 O\n0.590448 0.752096 0.423079 O\n0.193160 0.707514 0.541962 O\n0.658858 0.612354 0.711682 O\n0.306840 0.707514 0.041962 O\n0.841142 0.612354 0.211682 O\n0.158858 0.387646 0.788318 O\n0.693160 0.292486 0.958038 O\n0.341142 0.387646 0.288318 O\n0.806840 0.292486 0.458038 O\n0.409552 0.247904 0.576921 O\n0.090448 0.247904 0.076921 O\n0.801432 0.055422 0.643596 O\n0.698568 0.055422 0.143596 O\n",
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"formula_full": "Li8 Co4 B4 O16",
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{
"id": "mp-29279",
"created_at": "2022-09-04T14:45:07.232192Z",
"structure_string": "Cu2 Cl2 F20\n1.0\n9.377537 0.000000 0.000000\n0.000000 5.310968 0.000000\n0.000000 1.301518 7.424221\nCu Cl F\n2 2 20\ndirect\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n0.127182 0.616683 0.617525 F\n0.872818 0.383317 0.382475 F\n0.890494 0.733384 0.537335 F\n0.058835 0.686485 0.310269 F\n0.390494 0.266616 0.962665 F\n0.349788 0.895716 0.394272 F\n0.441165 0.686485 0.810269 F\n0.895823 0.766385 0.923367 F\n0.372818 0.616683 0.117525 F\n0.650212 0.104284 0.605728 F\n0.604177 0.766385 0.423367 F\n0.109506 0.266616 0.462665 F\n0.627182 0.383317 0.882475 F\n0.558835 0.313515 0.189731 F\n0.849788 0.104284 0.105728 F\n0.150212 0.895716 0.894272 F\n0.609506 0.733384 0.037335 F\n0.395823 0.233615 0.576633 F\n0.104177 0.233615 0.076633 F\n0.941165 0.313515 0.689731 F\n",
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{
"id": "mp-686583",
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"structure_string": "Na5 Zr4 Si3 P3 O24\n1.0\n8.130598 -4.560468 0.000000\n8.130598 4.560468 0.000000\n5.572623 0.000000 7.473311\nNa Zr Si P O\n5 4 3 3 24\ndirect\n0.744689 0.744689 0.744689 Na\n0.139651 0.860349 0.500000 Na\n0.500000 0.139651 0.860349 Na\n0.860349 0.500000 0.139651 Na\n0.255311 0.255311 0.255311 Na\n0.899124 0.899124 0.899124 Zr\n0.100876 0.100876 0.100876 Zr\n0.397331 0.397331 0.397331 Zr\n0.602669 0.602669 0.602669 Zr\n0.500000 0.789808 0.210192 Si\n0.789808 0.210192 0.500000 Si\n0.210192 0.500000 0.789808 Si\n0.298157 0.000000 0.701843 P\n0.701843 0.298157 0.000000 P\n0.000000 0.701844 0.298157 P\n0.044127 0.861262 0.259042 O\n0.259042 0.044127 0.861262 O\n0.674100 0.822400 0.029162 O\n0.861262 0.259042 0.044127 O\n0.325900 0.970838 0.177600 O\n0.511740 0.763040 0.391876 O\n0.822400 0.029162 0.674100 O\n0.970838 0.177600 0.325900 O\n0.177600 0.325900 0.970838 O\n0.138738 0.955873 0.740958 O\n0.471801 0.836170 0.686559 O\n0.740958 0.138738 0.955873 O\n0.763040 0.391876 0.511740 O\n0.029162 0.674100 0.822400 O\n0.391876 0.511740 0.763040 O\n0.313441 0.163830 0.528199 O\n0.528199 0.313441 0.163830 O\n0.686559 0.471801 0.836170 O\n0.955873 0.740958 0.138738 O\n0.163830 0.528199 0.313441 O\n0.608124 0.236960 0.488260 O\n0.836170 0.686559 0.471801 O\n0.236960 0.488260 0.608124 O\n0.488260 0.608124 0.236960 O\n",
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{
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"structure_string": "Sr4 Mn2 Cu4 S4 O4\n1.0\n-4.211651 4.014845 0.000309\n-3.828288 -4.016248 1.752370\n-0.279800 3.921448 8.375212\nSr Mn Cu S O\n4 2 4 4 4\ndirect\n0.407051 0.000019 0.185901 Sr\n0.907048 0.500017 0.185908 Sr\n0.092955 0.499999 0.814085 Sr\n0.592953 0.999999 0.814092 Sr\n0.499937 0.500059 0.000095 Mn\n0.999964 0.000058 0.000075 Mn\n0.499967 0.250010 0.500015 Cu\n0.999967 0.750008 0.500015 Cu\n0.000028 0.249995 0.499977 Cu\n0.500028 0.749994 0.499977 Cu\n0.174628 0.999980 0.650813 S\n0.674627 0.499985 0.650812 S\n0.325399 0.500000 0.349133 S\n0.825399 0.999995 0.349132 S\n0.250073 0.749972 0.999993 O\n0.750103 0.249944 0.999992 O\n0.749950 0.749996 0.999993 O\n0.249921 0.249970 0.999993 O\n",
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{
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"structure_string": "Mo3 Se4 S2\n1.0\n1.639538 -2.839764 0.000000\n1.639538 2.839764 0.000000\n0.000000 0.000000 30.164817\nMo Se S\n3 4 2\ndirect\n0.000000 0.000000 0.115619 Mo\n0.000000 0.000000 0.578350 Mo\n0.333333 0.666667 0.346961 Mo\n0.000000 0.000000 0.402949 Se\n0.333333 0.666667 0.522324 Se\n0.333333 0.666667 0.634347 Se\n0.000000 0.000000 0.291002 Se\n0.333333 0.666667 0.064694 S\n0.333333 0.666667 0.166594 S\n",
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{
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"structure_string": "Fe2 Ni1\n1.0\n1.258843 -2.180381 0.000000\n1.258843 2.180381 0.000000\n0.000000 0.000000 6.266583\nFe Ni\n2 1\ndirect\n0.333333 0.666667 0.671481 Fe\n0.666667 0.333333 0.328519 Fe\n0.000000 0.000000 0.000000 Ni\n",
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{
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"formula_full": "Li9 Mn2 Co5 O16",
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{
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"structure_string": "Ca3 Cd3 Pb3\n1.0\n3.936159 -6.817628 0.000000\n3.936159 6.817628 0.000000\n0.000000 0.000000 4.791244\nCa Cd Pb\n3 3 3\ndirect\n0.000000 0.575928 0.500000 Ca\n0.575928 0.000000 0.500000 Ca\n0.424072 0.424072 0.500000 Ca\n0.251016 0.000000 0.000000 Cd\n0.748984 0.748984 0.000000 Cd\n0.000000 0.251016 0.000000 Cd\n0.000000 0.000000 0.500000 Pb\n0.666667 0.333333 0.000000 Pb\n0.333333 0.666667 0.000000 Pb\n",
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"formula_full": "Ca3 Cd3 Pb3",
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},
{
"id": "mp-756983",
"created_at": "2022-09-04T14:45:06.484673Z",
"structure_string": "Li20 Cu2 Si4 O20\n1.0\n3.068660 15.087281 0.000000\n-3.068660 15.087281 0.000000\n0.000000 0.862065 5.123620\nLi Cu Si O\n20 2 4 20\ndirect\n0.490041 0.490041 0.272087 Li\n0.227087 0.636199 0.901953 Li\n0.636199 0.227087 0.901953 Li\n0.867292 0.867292 0.778435 Li\n0.085801 0.649790 0.246653 Li\n0.649790 0.085801 0.246653 Li\n0.325000 0.325000 0.927891 Li\n0.047957 0.560704 0.603960 Li\n0.560704 0.047957 0.603960 Li\n0.269245 0.269245 0.322307 Li\n0.730755 0.730755 0.677693 Li\n0.952043 0.439296 0.396040 Li\n0.439296 0.952043 0.396040 Li\n0.675000 0.675000 0.072109 Li\n0.350210 0.914199 0.753347 Li\n0.914199 0.350210 0.753347 Li\n0.132708 0.132708 0.221565 Li\n0.772913 0.363801 0.098047 Li\n0.363801 0.772913 0.098047 Li\n0.509959 0.509959 0.727913 Li\n0.963158 0.963158 0.120577 Cu\n0.036842 0.036842 0.879423 Cu\n0.399525 0.399525 0.512499 Si\n0.780588 0.780588 0.131057 Si\n0.219412 0.219412 0.868943 Si\n0.600475 0.600475 0.487501 Si\n0.448876 0.448876 0.610372 O\n0.905264 0.905264 0.052493 O\n0.405061 0.405061 0.189055 O\n0.157054 0.582868 0.626955 O\n0.582868 0.157054 0.626955 O\n0.028872 0.582726 0.220347 O\n0.582726 0.028872 0.220347 O\n0.785759 0.785759 0.810210 O\n0.271038 0.271038 0.720636 O\n0.728962 0.728962 0.279364 O\n0.214241 0.214241 0.189790 O\n0.417274 0.971128 0.779653 O\n0.971128 0.417274 0.779653 O\n0.417132 0.842946 0.373045 O\n0.842946 0.417132 0.373045 O\n0.594939 0.594939 0.810945 O\n0.094736 0.094736 0.947507 O\n0.551124 0.551124 0.389628 O\n0.245806 0.754194 0.000000 O\n0.754194 0.245806 0.000000 O\n",
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],
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"formula_full": "Li20 Cu2 Si4 O20",
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]
}