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{
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{
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"spacegroup": 14
},
{
"id": "mp-1194403",
"created_at": "2022-09-04T14:42:55.752614Z",
"structure_string": "Pd2 Pb4 Se4 Cl4 O12\n1.0\n5.346152 0.000000 0.000000\n0.000000 8.540434 0.000000\n0.000000 7.577255 10.941570\nPd Pb Se Cl O\n2 4 4 4 12\ndirect\n0.500000 0.500000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.555778 0.163785 0.804798 Pb\n0.055778 0.836215 0.695202 Pb\n0.444222 0.836215 0.195202 Pb\n0.944222 0.163785 0.304798 Pb\n0.037313 0.788299 0.976887 Se\n0.537313 0.211701 0.523113 Se\n0.962687 0.211701 0.023113 Se\n0.462687 0.788299 0.476887 Se\n0.071235 0.441175 0.690875 Cl\n0.571235 0.558825 0.809125 Cl\n0.928765 0.558825 0.309125 Cl\n0.428765 0.441175 0.190875 Cl\n0.878328 0.937256 0.840040 O\n0.378328 0.062744 0.659960 O\n0.121672 0.062744 0.159960 O\n0.621672 0.937256 0.340040 O\n0.200736 0.674617 0.920008 O\n0.700736 0.325383 0.579992 O\n0.799264 0.325383 0.079992 O\n0.299264 0.674617 0.420008 O\n0.263813 0.931009 0.977922 O\n0.763813 0.068991 0.522078 O\n0.736187 0.068991 0.022078 O\n0.236187 0.931009 0.477922 O\n",
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"formula_full": "Pd2 Pb4 Se4 Cl4 O12",
"formula_reduced": "PdPb2Se2(ClO3)2",
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{
"id": "mp-773596",
"created_at": "2022-09-04T14:42:55.798568Z",
"structure_string": "Na14 Cu4 O12\n1.0\n2.881610 7.281141 0.000000\n-2.881610 7.281141 0.000000\n0.000000 2.730374 10.372815\nNa Cu O\n14 4 12\ndirect\n0.303855 0.577683 0.151015 Na\n0.426336 0.239084 0.405463 Na\n0.577683 0.303855 0.651015 Na\n0.811276 0.741132 0.303582 Na\n0.239084 0.426336 0.905463 Na\n0.258868 0.188724 0.196418 Na\n0.741132 0.811276 0.803582 Na\n0.760916 0.573664 0.094537 Na\n0.188724 0.258868 0.696418 Na\n0.422317 0.696145 0.348985 Na\n0.573664 0.760916 0.594537 Na\n0.930681 0.069319 0.250000 Na\n0.696145 0.422317 0.848985 Na\n0.069319 0.930681 0.750000 Na\n0.756105 0.997026 0.038994 Cu\n0.997026 0.756105 0.538994 Cu\n0.002974 0.243895 0.461006 Cu\n0.243895 0.002974 0.961006 Cu\n0.131588 0.673679 0.372352 O\n0.607329 0.149264 0.191123 O\n0.673679 0.131588 0.872352 O\n0.999986 0.652318 0.082201 O\n0.149264 0.607329 0.691123 O\n0.347682 0.000014 0.417799 O\n0.652318 0.999986 0.582201 O\n0.850736 0.392671 0.308877 O\n0.000014 0.347682 0.917799 O\n0.326321 0.868412 0.127648 O\n0.392671 0.850736 0.808877 O\n0.868412 0.326321 0.627648 O\n",
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"formula_full": "Na14 Cu4 O12",
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{
"id": "mp-850001",
"created_at": "2022-09-04T14:42:56.077988Z",
"structure_string": "Li10 V6 P16 O58\n1.0\n-9.755203 0.000000 0.000000\n4.876445 8.495799 0.000000\n-0.005175 -0.043593 -14.018272\nLi V P O\n10 6 16 58\ndirect\n0.772714 0.086763 0.442126 Li\n0.904503 0.676731 0.442750 Li\n0.764419 0.662532 0.937264 Li\n0.332726 0.094782 0.938882 Li\n0.318739 0.226177 0.440681 Li\n0.670109 0.906564 0.058241 Li\n0.236168 0.337274 0.058272 Li\n0.091621 0.322860 0.562651 Li\n0.225919 0.903318 0.560172 Li\n0.997257 0.997855 0.995322 Li\n0.568336 0.569367 0.745138 V\n0.433612 0.434535 0.253249 V\n0.567182 0.000158 0.249716 V\n0.434301 0.999126 0.749333 V\n0.995413 0.431942 0.758230 V\n0.003563 0.568653 0.242799 V\n0.916836 0.223656 0.158948 P\n0.772441 0.089321 0.660219 P\n0.912478 0.679457 0.656332 P\n0.663485 0.335570 0.872348 P\n0.671027 0.334703 0.369529 P\n0.770912 0.685540 0.156911 P\n0.684981 0.771559 0.341265 P\n0.315131 0.089444 0.156753 P\n0.686867 0.911492 0.843130 P\n0.319963 0.230641 0.657754 P\n0.229600 0.315457 0.840717 P\n0.327124 0.662826 0.631819 P\n0.335055 0.665077 0.127403 P\n0.085458 0.320456 0.345019 P\n0.228845 0.910391 0.339206 P\n0.084360 0.778163 0.840826 P\n0.997767 0.248339 0.435697 O\n0.920293 0.257957 0.665749 O\n0.777187 0.986333 0.933354 O\n0.745678 0.083193 0.158488 O\n0.916712 0.382266 0.169046 O\n0.811420 0.328814 0.826124 O\n0.905823 0.521356 0.678850 O\n0.991896 0.790111 0.922385 O\n0.916796 0.661031 0.164935 O\n0.674625 0.185844 0.329496 O\n0.620518 0.099671 0.679965 O\n0.817020 0.483473 0.322441 O\n0.673357 0.340395 0.978617 O\n0.681205 0.342480 0.475767 O\n0.676934 0.489910 0.831443 O\n0.471576 0.090336 0.169831 O\n0.510446 0.189558 0.833352 O\n0.746700 0.658270 0.658965 O\n0.788442 0.798462 0.244750 O\n0.771304 0.761269 0.425257 O\n0.779549 0.773033 0.066334 O\n0.618945 0.529317 0.169799 O\n0.514662 0.327328 0.333006 O\n0.661906 0.742550 0.836151 O\n0.481158 0.377093 0.676153 O\n0.334788 0.080713 0.656726 O\n0.793710 0.000660 0.750582 O\n0.765880 0.011147 0.568378 O\n0.239463 0.998187 0.429633 O\n0.661734 0.916880 0.341712 O\n0.522881 0.620111 0.323240 O\n0.340305 0.259138 0.166119 O\n0.477678 0.669450 0.674600 O\n0.384483 0.469179 0.830682 O\n0.219801 0.222177 0.929290 O\n0.241144 0.243612 0.568454 O\n0.207280 0.206790 0.748484 O\n0.250753 0.335295 0.343991 O\n0.488928 0.810946 0.166298 O\n0.530678 0.911539 0.831696 O\n0.323117 0.511121 0.167893 O\n0.324428 0.660858 0.021385 O\n0.314846 0.651873 0.525669 O\n0.179485 0.513612 0.678004 O\n0.378753 0.898902 0.321249 O\n0.323151 0.813413 0.669450 O\n0.085795 0.342607 0.837383 O\n0.989747 0.203566 0.258151 O\n0.010858 0.214099 0.077722 O\n0.096434 0.479628 0.321714 O\n0.187933 0.671656 0.175259 O\n0.083826 0.619491 0.831973 O\n0.256176 0.917751 0.840607 O\n0.228206 0.017702 0.065680 O\n0.206136 0.998425 0.248587 O\n0.080167 0.743682 0.338366 O\n0.001376 0.751977 0.565753 O\n0.010574 0.797696 0.742403 O\n",
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{
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"structure_string": "Li5 Ta1 O5\n1.0\n2.015591 4.938846 0.000000\n-2.015591 4.938846 0.000000\n0.000000 1.895773 5.566551\nLi Ta O\n5 1 5\ndirect\n0.713919 0.713919 0.655388 Li\n0.692317 0.692317 0.141081 Li\n0.000000 0.000000 0.500000 Li\n0.307683 0.307683 0.858919 Li\n0.286081 0.286081 0.344612 Li\n0.000000 0.000000 0.000000 Ta\n0.855808 0.855808 0.825947 O\n0.843092 0.843092 0.316427 O\n0.500000 0.500000 0.000000 O\n0.156908 0.156908 0.683573 O\n0.144192 0.144192 0.174053 O\n",
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{
"id": "mp-768965",
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"structure_string": "Ba8 Y8 Cl40\n1.0\n24.054426 0.000000 0.000000\n0.000000 7.216993 0.000000\n0.000000 6.693652 9.888586\nBa Y Cl\n8 8 40\ndirect\n0.542697 0.395069 0.756193 Ba\n0.266086 0.825220 0.492013 Ba\n0.042697 0.604931 0.743807 Ba\n0.766086 0.174780 0.007987 Ba\n0.233914 0.825220 0.992013 Ba\n0.957303 0.395069 0.256193 Ba\n0.733914 0.174780 0.507987 Ba\n0.457303 0.604931 0.243807 Ba\n0.370413 0.299585 0.964082 Y\n0.870413 0.700415 0.535918 Y\n0.106962 0.094947 0.132812 Y\n0.606962 0.905053 0.367188 Y\n0.393038 0.094947 0.632812 Y\n0.893038 0.905053 0.867188 Y\n0.129587 0.299585 0.464082 Y\n0.629587 0.700415 0.035918 Y\n0.119967 0.128772 0.904277 Cl\n0.363880 0.514079 0.505523 Cl\n0.161234 0.512137 0.569920 Cl\n0.920707 0.343482 0.756609 Cl\n0.588987 0.927030 0.140758 Cl\n0.345631 0.891551 0.165462 Cl\n0.276268 0.338044 0.838300 Cl\n0.209960 0.950631 0.207071 Cl\n0.972325 0.778660 0.443681 Cl\n0.503693 0.778138 0.435043 Cl\n0.776268 0.661956 0.661700 Cl\n0.003693 0.221862 0.064957 Cl\n0.472325 0.221340 0.056319 Cl\n0.709960 0.049369 0.292929 Cl\n0.420707 0.656518 0.743391 Cl\n0.661234 0.487863 0.930080 Cl\n0.845631 0.108449 0.334538 Cl\n0.088987 0.072970 0.359242 Cl\n0.863880 0.485921 0.994477 Cl\n0.619967 0.871228 0.595723 Cl\n0.380033 0.128772 0.404277 Cl\n0.136120 0.514079 0.005523 Cl\n0.911013 0.927030 0.640758 Cl\n0.154369 0.891551 0.665462 Cl\n0.338766 0.512137 0.069920 Cl\n0.579293 0.343482 0.256609 Cl\n0.290040 0.950631 0.707071 Cl\n0.527675 0.778660 0.943681 Cl\n0.996307 0.778138 0.935043 Cl\n0.223732 0.338044 0.338300 Cl\n0.496307 0.221862 0.564957 Cl\n0.027675 0.221340 0.556319 Cl\n0.790040 0.049369 0.792929 Cl\n0.723732 0.661956 0.161700 Cl\n0.654369 0.108449 0.834538 Cl\n0.411013 0.072970 0.859242 Cl\n0.079293 0.656518 0.243391 Cl\n0.838766 0.487863 0.430080 Cl\n0.636120 0.485921 0.494477 Cl\n0.880033 0.871228 0.095723 Cl\n",
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{
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{
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}