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{
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"results": [
{
"id": "mp-1228884",
"created_at": "2022-09-04T14:47:45.119277Z",
"structure_string": "Cs2 H6 Se4 O12\n1.0\n5.956592 0.000000 0.000000\n-0.174558 6.728464 0.000000\n-2.562809 -0.423264 9.161334\nCs H Se O\n2 6 4 12\ndirect\n0.885789 0.235286 0.831993 Cs\n0.112662 0.759336 0.165492 Cs\n0.527186 0.010139 0.028452 H\n0.473345 0.517898 0.975733 H\n0.530883 0.522468 0.481124 H\n0.452832 0.007984 0.498645 H\n0.217301 0.292065 0.245648 H\n0.786922 0.706173 0.757449 H\n0.195337 0.261773 0.527403 Se\n0.833993 0.761436 0.481857 Se\n0.599422 0.267966 0.212647 Se\n0.402837 0.749233 0.783362 Se\n0.090290 0.344647 0.355350 O\n0.930521 0.663565 0.649917 O\n0.460608 0.379663 0.594191 O\n0.569330 0.607937 0.403046 O\n0.662131 0.422080 0.092876 O\n0.330189 0.572703 0.901447 O\n0.284655 0.262535 0.155099 O\n0.717124 0.736083 0.845799 O\n0.275952 0.010805 0.484719 O\n0.724429 0.982679 0.514934 O\n0.634024 0.027329 0.133572 O\n0.365538 0.965316 0.867944 O\n",
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{
"id": "mp-1203661",
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"structure_string": "K5 Rb10 Cr5 F30\n1.0\n-7.004348 7.004348 4.526183\n7.004348 -7.004348 4.526183\n7.004348 7.004348 -4.526183\nK Rb Cr F\n5 10 5 30\ndirect\n0.500000 0.500000 0.000000 K\n0.733940 0.087720 0.821660 K\n0.912280 0.733940 0.646220 K\n0.266060 0.912280 0.178340 K\n0.087720 0.266060 0.353780 K\n0.250000 0.750000 0.500000 Rb\n0.750000 0.250000 0.500000 Rb\n0.379580 0.061501 0.893953 Rb\n0.485627 0.379580 0.318080 Rb\n0.167547 0.485627 0.106047 Rb\n0.061501 0.167547 0.681920 Rb\n0.620420 0.938499 0.106047 Rb\n0.514373 0.620420 0.681920 Rb\n0.832453 0.514373 0.893953 Rb\n0.938499 0.832453 0.318080 Rb\n0.000000 0.000000 0.000000 Cr\n0.196922 0.594835 0.791757 Cr\n0.405165 0.196922 0.602088 Cr\n0.803078 0.405165 0.208243 Cr\n0.594835 0.803078 0.397912 Cr\n0.062986 0.874581 0.937567 F\n0.125419 0.062986 0.188406 F\n0.937014 0.125419 0.062433 F\n0.874581 0.937014 0.811594 F\n0.215546 0.215546 0.000000 F\n0.784454 0.784454 0.000000 F\n0.329031 0.551845 0.880876 F\n0.448155 0.329031 0.777186 F\n0.670969 0.448155 0.119124 F\n0.551845 0.670969 0.222814 F\n0.154292 0.461212 0.615504 F\n0.538788 0.154292 0.693081 F\n0.845708 0.538788 0.384496 F\n0.461212 0.845708 0.306919 F\n0.065629 0.637573 0.703202 F\n0.362427 0.065629 0.428056 F\n0.934371 0.362427 0.296798 F\n0.637573 0.934371 0.571944 F\n0.242179 0.727453 0.969631 F\n0.272547 0.242179 0.514726 F\n0.757821 0.272547 0.030369 F\n0.727453 0.757821 0.485274 F\n0.416556 0.812696 0.794724 F\n0.621832 0.416556 0.603860 F\n0.017972 0.621832 0.205276 F\n0.812696 0.017972 0.396140 F\n0.583444 0.187304 0.205276 F\n0.378168 0.583444 0.396140 F\n0.982028 0.378168 0.794724 F\n0.187304 0.982028 0.603860 F\n",
"nsites": 50,
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"elements": [
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"Cr",
"F"
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"density_atomic": 0.056291454901449406,
"volume": 888.2342815181454,
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"formula_full": "K5 Rb10 Cr5 F30",
"formula_reduced": "KRb2CrF6",
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"energy": -276.39536038,
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"spacegroup": 87
},
{
"id": "mp-706815",
"created_at": "2022-09-04T14:48:30.644757Z",
"structure_string": "K1 Ba7 Al15 Si17 O64\n1.0\n8.753344 0.000000 0.000000\n-1.172437 -9.359010 0.000000\n-2.715934 0.019985 -18.712864\nK Ba Al Si O\n1 7 15 17 64\ndirect\n0.206889 0.923197 0.963203 K\n0.210372 0.947479 0.467536 Ba\n0.289157 0.579375 0.781547 Ba\n0.294908 0.584509 0.284283 Ba\n0.731010 0.434420 0.715208 Ba\n0.719082 0.432427 0.217837 Ba\n0.772367 0.082283 0.522958 Ba\n0.760098 0.047029 0.020323 Ba\n0.035783 0.450959 0.603126 Al\n0.534556 0.949185 0.853124 Al\n0.465276 0.050683 0.646711 Al\n0.398363 0.568345 0.101404 Al\n0.472780 0.293796 0.527677 Al\n0.602216 0.430465 0.898119 Al\n0.528391 0.948508 0.353028 Al\n0.461091 0.049419 0.146806 Al\n0.606978 0.428949 0.399117 Al\n0.966722 0.788896 0.779634 Al\n0.886976 0.704927 0.536736 Al\n0.907581 0.072232 0.854690 Al\n0.969444 0.793403 0.279503 Al\n0.890839 0.697128 0.035554 Al\n0.897885 0.072590 0.351306 Al\n0.099370 0.923830 0.648032 Si\n0.108350 0.297981 0.968516 Si\n0.040430 0.207306 0.723522 Si\n0.098439 0.921546 0.146849 Si\n0.038772 0.443990 0.106101 Si\n0.102757 0.299214 0.465570 Si\n0.037325 0.203011 0.221243 Si\n0.402951 0.572002 0.602123 Si\n0.401594 0.209610 0.783176 Si\n0.523732 0.709576 0.969687 Si\n0.397456 0.208433 0.284386 Si\n0.604552 0.793893 0.716296 Si\n0.526301 0.711320 0.470152 Si\n0.472334 0.292327 0.030978 Si\n0.602690 0.792132 0.215471 Si\n0.965426 0.549586 0.895352 Si\n0.965165 0.557363 0.395088 Si\n0.019185 0.626636 0.822518 O\n0.993207 0.870316 0.571417 O\n0.095036 0.433519 0.913490 O\n0.092313 0.808974 0.713021 O\n0.019966 0.323744 0.535217 O\n0.025130 0.070470 0.668631 O\n0.026335 0.636385 0.324197 O\n0.985948 0.860616 0.074174 O\n0.089013 0.437003 0.411202 O\n0.096602 0.811858 0.214230 O\n0.028539 0.331372 0.039776 O\n0.020619 0.068238 0.166254 O\n0.228042 0.537272 0.621625 O\n0.273795 0.964191 0.628077 O\n0.221722 0.249486 0.760779 O\n0.290785 0.275884 0.990659 O\n0.213831 0.521982 0.128870 O\n0.271355 0.966824 0.127958 O\n0.217626 0.248560 0.258515 O\n0.481286 0.858377 0.930231 O\n0.281284 0.266777 0.482456 O\n0.401268 0.075014 0.836551 O\n0.409053 0.679131 0.532395 O\n0.509299 0.582850 0.909615 O\n0.512790 0.818804 0.783995 O\n0.492388 0.362893 0.816750 O\n0.500401 0.647156 0.676963 O\n0.458415 0.847435 0.425692 O\n0.484780 0.183127 0.713400 O\n0.490420 0.433221 0.591722 O\n0.391907 0.073986 0.338818 O\n0.593787 0.318894 0.973030 O\n0.398831 0.673423 0.025674 O\n0.605415 0.930029 0.663639 O\n0.508403 0.577604 0.414635 O\n0.512463 0.822696 0.283370 O\n0.511249 0.131294 0.567875 O\n0.490517 0.361120 0.317624 O\n0.503728 0.640805 0.182338 O\n0.483868 0.177625 0.216078 O\n0.495284 0.416960 0.091934 O\n0.615661 0.316166 0.471438 O\n0.599200 0.926737 0.160521 O\n0.703082 0.759886 0.507274 O\n0.512371 0.142144 0.069799 O\n0.772817 0.738661 0.739449 O\n0.721522 0.034065 0.877971 O\n0.790359 0.466070 0.874347 O\n0.701846 0.740958 0.011905 O\n0.776317 0.747391 0.239360 O\n0.714915 0.032325 0.377049 O\n0.788193 0.480993 0.369361 O\n0.997321 0.924549 0.840615 O\n0.978821 0.659410 0.961347 O\n0.918154 0.188803 0.780636 O\n0.891766 0.563588 0.596425 O\n0.010712 0.151210 0.936677 O\n0.993642 0.349025 0.678893 O\n0.001199 0.929616 0.341596 O\n0.980017 0.667575 0.461791 O\n0.911141 0.187792 0.276404 O\n0.905715 0.550663 0.094981 O\n0.005710 0.151854 0.430486 O\n0.987228 0.344644 0.174313 O\n",
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],
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"density": 3.1483214117219847,
"density_atomic": 0.06784052036135721,
"volume": 1533.0071091146829,
"volume_molar": 8.876908266508943,
"formula_full": "K1 Ba7 Al15 Si17 O64",
"formula_reduced": "KBa7Al15Si17O64",
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"energy": -833.80652115,
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"spacegroup": 1
},
{
"id": "mp-645774",
"created_at": "2022-09-04T14:44:55.526323Z",
"structure_string": "Sn4 S4 O16\n1.0\n5.458292 0.000000 0.000000\n-0.158141 7.251263 0.000000\n-0.164575 -0.017082 9.142453\nSn S O\n4 4 16\ndirect\n0.697961 0.284747 0.715777 Sn\n0.302039 0.715253 0.284223 Sn\n0.210524 0.780354 0.785298 Sn\n0.789476 0.219646 0.214702 Sn\n0.229984 0.318199 0.924616 S\n0.268709 0.182666 0.425554 S\n0.731291 0.817334 0.574446 S\n0.770016 0.681801 0.075384 S\n0.769324 0.978931 0.675178 O\n0.508078 0.708040 0.617886 O\n0.748494 0.527672 0.184809 O\n0.046708 0.300772 0.404049 O\n0.953292 0.699228 0.595951 O\n0.997563 0.793626 0.109298 O\n0.251506 0.472328 0.815191 O\n0.294090 0.129885 0.580115 O\n0.230676 0.021069 0.324822 O\n0.491922 0.291960 0.382114 O\n0.002437 0.206374 0.890702 O\n0.772524 0.617615 0.923538 O\n0.450350 0.199223 0.901481 O\n0.549650 0.800777 0.098519 O\n0.227476 0.382385 0.076462 O\n0.705910 0.870115 0.419885 O\n",
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{
"id": "mp-1114000",
"created_at": "2022-09-04T14:45:42.502105Z",
"structure_string": "Rb2 Y1 Tl1 Cl6\n1.0\n0.000000 5.718345 5.718345\n5.718345 0.000000 5.718345\n5.718345 5.718345 0.000000\nRb Y Tl Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Tl\n0.769156 0.230844 0.230844 Cl\n0.230844 0.230844 0.769156 Cl\n0.230844 0.769156 0.769156 Cl\n0.230844 0.769156 0.230844 Cl\n0.769156 0.230844 0.769156 Cl\n0.769156 0.769156 0.230844 Cl\n",
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"formula_full": "Rb2 Y1 Tl1 Cl6",
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},
{
"id": "mp-1210155",
"created_at": "2022-09-04T14:41:45.775429Z",
"structure_string": "Na4 Al4 Br16\n1.0\n7.662034 0.000000 0.000000\n0.000000 7.696717 0.000000\n0.000000 0.000000 14.330153\nNa Al Br\n4 4 16\ndirect\n0.551466 0.750000 0.849147 Na\n0.448534 0.250000 0.150853 Na\n0.051466 0.250000 0.650853 Na\n0.948534 0.750000 0.349147 Na\n0.796980 0.750000 0.601388 Al\n0.203020 0.250000 0.398612 Al\n0.296980 0.250000 0.898612 Al\n0.703020 0.750000 0.101388 Al\n0.088516 0.750000 0.557068 Br\n0.911484 0.250000 0.442932 Br\n0.588516 0.250000 0.942932 Br\n0.411484 0.750000 0.057068 Br\n0.736225 0.507261 0.695449 Br\n0.263775 0.492739 0.304551 Br\n0.236225 0.492739 0.804551 Br\n0.263775 0.007261 0.304551 Br\n0.763775 0.507261 0.195449 Br\n0.736225 0.992739 0.695449 Br\n0.763775 0.992739 0.195449 Br\n0.236225 0.007261 0.804551 Br\n0.873262 0.750000 0.968849 Br\n0.126738 0.250000 0.031151 Br\n0.373262 0.250000 0.531151 Br\n0.626738 0.750000 0.468849 Br\n",
"nsites": 24,
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{
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"structure_string": "Ge4 Cl16\n1.0\n7.028178 0.000000 0.000000\n0.000000 10.583650 0.000000\n0.000000 2.370817 10.407848\nGe Cl\n4 16\ndirect\n0.073038 0.251992 0.859254 Ge\n0.573038 0.748008 0.640746 Ge\n0.926962 0.748008 0.140746 Ge\n0.426962 0.251992 0.359254 Ge\n0.360014 0.197310 0.910198 Cl\n0.860014 0.802690 0.589802 Cl\n0.639986 0.802690 0.089802 Cl\n0.139986 0.197310 0.410198 Cl\n0.568440 0.298931 0.519898 Cl\n0.068440 0.701069 0.980102 Cl\n0.431560 0.701069 0.480102 Cl\n0.931560 0.298931 0.019898 Cl\n0.429121 0.416853 0.202008 Cl\n0.929121 0.583147 0.297992 Cl\n0.570879 0.583147 0.797992 Cl\n0.070879 0.416853 0.702008 Cl\n0.571318 0.095008 0.304478 Cl\n0.071318 0.904992 0.195522 Cl\n0.428682 0.904992 0.695522 Cl\n0.928682 0.095008 0.804478 Cl\n",
"nsites": 20,
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"formula_full": "Ge4 Cl16",
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},
{
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{
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