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{
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"results": [
{
"id": "mp-1235768",
"created_at": "2022-09-04T14:41:18.773816Z",
"structure_string": "Ba6 Li1 Nb2 Ir1 Cl2 O12\n1.0\n6.251701 -0.156543 0.395256\n-3.261066 5.334494 -0.395589\n0.937768 -0.541750 14.956773\nBa Li Nb Ir Cl O\n6 1 2 1 2 12\ndirect\n0.308356 0.691846 0.360828 Ba\n0.337203 0.662942 0.783338 Ba\n0.693330 0.306765 0.632931 Ba\n0.614543 0.385715 0.902390 Ba\n0.342335 0.658630 0.083723 Ba\n0.655760 0.345067 0.212269 Ba\n0.803668 0.198805 0.001863 Li\n0.984893 0.015344 0.812669 Nb\n0.016819 0.983647 0.183622 Nb\n0.018030 0.982639 0.000992 Ir\n0.677955 0.322912 0.424270 Cl\n0.319116 0.680902 0.575509 Cl\n0.137003 0.304955 0.927477 O\n0.307831 0.199378 0.746886 O\n0.198103 0.304844 0.249500 O\n0.800613 0.692612 0.746710 O\n0.824005 0.176624 0.771403 O\n0.880852 0.660512 0.072450 O\n0.172239 0.825716 0.233661 O\n0.339590 0.119278 0.072726 O\n0.871184 0.132615 0.106370 O\n0.695890 0.864203 0.927509 O\n0.693993 0.802513 0.248633 O\n0.140023 0.858619 0.886557 O\n",
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"volume_molar": 12.260255890766013,
"formula_full": "Ba6 Li1 Nb2 Ir1 Cl2 O12",
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},
{
"id": "mp-1196516",
"created_at": "2022-09-04T14:41:54.992271Z",
"structure_string": "P14 H108 Ir4 C36 Cl2 F12\n1.0\n9.419019 -0.010846 3.243842\n-0.592527 15.297855 1.882715\n0.101739 0.050281 14.979677\nP H Ir C Cl F\n14 108 4 36 2 12\ndirect\n0.702043 0.934667 0.178850 P\n0.297957 0.065333 0.821150 P\n0.923147 0.972553 0.299952 P\n0.076853 0.027447 0.700048 P\n0.687068 0.841948 0.479857 P\n0.312932 0.158052 0.520143 P\n0.634566 0.551519 0.253426 P\n0.365434 0.448481 0.746574 P\n0.934117 0.484415 0.294423 P\n0.065883 0.515585 0.705577 P\n0.095334 0.631626 0.098874 P\n0.904666 0.368374 0.901126 P\n0.631361 0.755252 0.853749 P\n0.368639 0.244748 0.146251 P\n0.831969 0.071663 0.099222 H\n0.168031 0.928337 0.900778 H\n0.662533 0.067812 0.082802 H\n0.337467 0.932188 0.917198 H\n0.674181 0.089421 0.193997 H\n0.325819 0.910579 0.806003 H\n0.810886 0.814392 0.098961 H\n0.189114 0.185608 0.901039 H\n0.737712 0.883188 0.022763 H\n0.262288 0.116812 0.977237 H\n0.901885 0.914776 0.037463 H\n0.098115 0.085224 0.962537 H\n0.443048 0.947004 0.243460 H\n0.556952 0.052996 0.756540 H\n0.501094 0.923612 0.122701 H\n0.498906 0.076388 0.877299 H\n0.489467 0.838358 0.217620 H\n0.510533 0.161642 0.782380 H\n0.854949 0.086725 0.404301 H\n0.145051 0.913275 0.595699 H\n0.026473 0.112155 0.313126 H\n0.973527 0.887845 0.686874 H\n0.866468 0.125157 0.284766 H\n0.133532 0.874843 0.715234 H\n0.079928 0.860087 0.324252 H\n0.920072 0.139913 0.675748 H\n0.136326 0.962709 0.347658 H\n0.863674 0.037291 0.652342 H\n0.990142 0.898726 0.434602 H\n0.009858 0.101274 0.565398 H\n0.018678 0.044425 0.134676 H\n0.981322 0.955575 0.865324 H\n0.156004 0.002050 0.176285 H\n0.843996 0.997950 0.823715 H\n0.044841 0.929122 0.143982 H\n0.955159 0.070878 0.856018 H\n0.473156 0.748617 0.510143 H\n0.526844 0.251383 0.489857 H\n0.477566 0.790028 0.615606 H\n0.522434 0.209972 0.384394 H\n0.428718 0.859134 0.527072 H\n0.571282 0.140866 0.472928 H\n0.885636 0.757742 0.501330 H\n0.114364 0.242258 0.498670 H\n0.729223 0.734967 0.604755 H\n0.270777 0.265033 0.395245 H\n0.744972 0.690138 0.496660 H\n0.255028 0.309862 0.503340 H\n0.632590 0.979564 0.543063 H\n0.367410 0.020436 0.456937 H\n0.664656 0.898651 0.630351 H\n0.335344 0.101349 0.369649 H\n0.809785 0.951769 0.533272 H\n0.190215 0.048231 0.466728 H\n0.603505 0.400670 0.331884 H\n0.396495 0.599330 0.668116 H\n0.457778 0.428769 0.290947 H\n0.542222 0.571231 0.709053 H\n0.625639 0.406511 0.208696 H\n0.374361 0.593489 0.791304 H\n0.541332 0.667433 0.346038 H\n0.458668 0.332567 0.653962 H\n0.402224 0.585476 0.365952 H\n0.597776 0.414524 0.634048 H\n0.535369 0.568680 0.422392 H\n0.464631 0.431320 0.577608 H\n0.597167 0.561780 0.098620 H\n0.402833 0.438220 0.901380 H\n0.444247 0.591840 0.190111 H\n0.555753 0.408160 0.809889 H\n0.594919 0.666412 0.136867 H\n0.405081 0.333588 0.863133 H\n0.044091 0.362692 0.209535 H\n0.955909 0.637308 0.790465 H\n0.984973 0.332543 0.335488 H\n0.015027 0.667457 0.664512 H\n0.858752 0.340795 0.273211 H\n0.141248 0.659205 0.726789 H\n0.082004 0.578862 0.343168 H\n0.917996 0.421138 0.656832 H\n0.111014 0.466059 0.376072 H\n0.888986 0.533941 0.623928 H\n0.190812 0.516484 0.255917 H\n0.809188 0.483516 0.744083 H\n0.702242 0.453052 0.422262 H\n0.297758 0.546948 0.577738 H\n0.846476 0.425505 0.464756 H\n0.153524 0.574495 0.535244 H\n0.804609 0.537765 0.443158 H\n0.195391 0.462235 0.556842 H\n0.983762 0.715347 0.991015 H\n0.016238 0.284653 0.008985 H\n0.174304 0.728112 0.947217 H\n0.825696 0.271888 0.052783 H\n0.088490 0.629885 0.937800 H\n0.911510 0.370115 0.062200 H\n0.225298 0.695873 0.189364 H\n0.774702 0.304127 0.810636 H\n0.309917 0.727989 0.063523 H\n0.690083 0.272011 0.936477 H\n0.148305 0.776276 0.127939 H\n0.851695 0.223724 0.872061 H\n0.166210 0.497968 0.031377 H\n0.833790 0.502032 0.968623 H\n0.316746 0.573729 0.000577 H\n0.683254 0.426271 0.999423 H\n0.251967 0.510744 0.115624 H\n0.748033 0.489256 0.884376 H\n0.743558 0.882855 0.317992 Ir\n0.256442 0.117145 0.682008 Ir\n0.871996 0.591362 0.207425 Ir\n0.128004 0.408638 0.792575 Ir\n0.718983 0.051825 0.134085 C\n0.281017 0.948175 0.865915 C\n0.796348 0.882547 0.073172 C\n0.203652 0.117453 0.926828 C\n0.515352 0.908397 0.192553 C\n0.484648 0.091603 0.807447 C\n0.917755 0.084949 0.329068 C\n0.082245 0.915051 0.670932 C\n0.043789 0.919131 0.358230 C\n0.956211 0.080869 0.641770 C\n0.047625 0.988676 0.176556 C\n0.952375 0.011324 0.823444 C\n0.497933 0.806634 0.538474 C\n0.502067 0.193366 0.461526 C\n0.769305 0.747342 0.526363 C\n0.230695 0.252658 0.473637 C\n0.699919 0.925527 0.554428 C\n0.300081 0.074473 0.445572 C\n0.573540 0.436408 0.273652 C\n0.426460 0.563592 0.726348 C\n0.514786 0.596854 0.357465 C\n0.485214 0.403146 0.642535 C\n0.561285 0.597206 0.160781 C\n0.438715 0.402794 0.839219 C\n0.957943 0.369160 0.276262 C\n0.042057 0.630840 0.723738 C\n0.095887 0.513744 0.319570 C\n0.904113 0.486256 0.680430 C\n0.809573 0.473507 0.418150 C\n0.190427 0.526493 0.581850 C\n0.083138 0.681416 0.982992 C\n0.916862 0.318584 0.017008 C\n0.207026 0.715699 0.121510 C\n0.792974 0.284301 0.878490 C\n0.220408 0.545705 0.057893 C\n0.779592 0.454295 0.942107 C\n0.800097 0.736735 0.260004 Cl\n0.199903 0.263265 0.739996 Cl\n0.555918 0.818523 0.935222 F\n0.444082 0.181477 0.064778 F\n0.766411 0.744179 0.893049 F\n0.233589 0.255821 0.106951 F\n0.706878 0.692176 0.771464 F\n0.293122 0.307824 0.228536 F\n0.496888 0.766697 0.813182 F\n0.503112 0.233303 0.186818 F\n0.713459 0.841876 0.779316 F\n0.286541 0.158124 0.220684 F\n0.549275 0.668954 0.927252 F\n0.450725 0.331046 0.072748 F\n",
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"formula_full": "P14 H108 Ir4 C36 Cl2 F12",
"formula_reduced": "P7H54Ir2C18ClF6",
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"spacegroup": 2
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{
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{
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{
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"structure_string": "Te16 As8 S4 O8 F48\n1.0\n18.902016 0.000000 0.000000\n0.000000 9.048770 0.000000\n0.000000 1.167607 9.844336\nTe As S O F\n16 8 4 8 48\ndirect\n0.069732 0.715780 0.619097 Te\n0.071686 0.657373 0.892539 Te\n0.928314 0.342627 0.107461 Te\n0.712575 0.808747 0.385795 Te\n0.212575 0.691253 0.614205 Te\n0.213934 0.625149 0.888747 Te\n0.569732 0.784220 0.380903 Te\n0.786066 0.374851 0.111253 Te\n0.428314 0.157373 0.892539 Te\n0.713934 0.874851 0.111253 Te\n0.287425 0.191253 0.614205 Te\n0.787425 0.308747 0.385795 Te\n0.286066 0.125149 0.888747 Te\n0.430268 0.215780 0.619097 Te\n0.571686 0.842627 0.107461 Te\n0.930268 0.284220 0.380903 Te\n0.576063 0.319795 0.227570 As\n0.076063 0.180205 0.772430 As\n0.645809 0.119489 0.716021 As\n0.354191 0.880511 0.283979 As\n0.145809 0.380511 0.283979 As\n0.854191 0.619489 0.716021 As\n0.423937 0.680205 0.772430 As\n0.923937 0.819795 0.227570 As\n0.630547 0.560566 0.768627 S\n0.369453 0.439434 0.231373 S\n0.130547 0.939434 0.231373 S\n0.869453 0.060566 0.768627 S\n0.133333 0.825814 0.348297 O\n0.366667 0.325814 0.348297 O\n0.152965 0.896143 0.102094 O\n0.347035 0.396143 0.102094 O\n0.633333 0.674186 0.651703 O\n0.866667 0.174186 0.651703 O\n0.847035 0.103857 0.897906 O\n0.652965 0.603857 0.897906 O\n0.069143 0.292419 0.220378 F\n0.199397 0.300137 0.166500 F\n0.800603 0.699863 0.833500 F\n0.589381 0.038529 0.602998 F\n0.840854 0.777843 0.596062 F\n0.976848 0.967277 0.148881 F\n0.111048 0.212708 0.931732 F\n0.367467 0.037792 0.158750 F\n0.719840 0.029819 0.651817 F\n0.388952 0.712708 0.931732 F\n0.042539 0.144288 0.612637 F\n0.659146 0.277843 0.596062 F\n0.368889 0.824254 0.692423 F\n0.930857 0.707581 0.779622 F\n0.352501 0.550933 0.755354 F\n0.868889 0.675746 0.307577 F\n0.340854 0.722157 0.403938 F\n0.888952 0.787292 0.068268 F\n0.410619 0.961471 0.397002 F\n0.852501 0.949067 0.244646 F\n0.131111 0.324254 0.692423 F\n0.910619 0.538529 0.602998 F\n0.699397 0.199863 0.833500 F\n0.300603 0.800137 0.166500 F\n0.159146 0.222157 0.403938 F\n0.023152 0.032723 0.851119 F\n0.457461 0.644288 0.612637 F\n0.867467 0.462208 0.841250 F\n0.219840 0.470181 0.348183 F\n0.542539 0.355712 0.387363 F\n0.007293 0.309343 0.789820 F\n0.507293 0.190657 0.210180 F\n0.430857 0.792419 0.220378 F\n0.523152 0.467277 0.148881 F\n0.992707 0.690657 0.210180 F\n0.476848 0.532723 0.851119 F\n0.132533 0.537792 0.158750 F\n0.632533 0.962208 0.841250 F\n0.569143 0.207581 0.779622 F\n0.089381 0.461471 0.397002 F\n0.957461 0.855712 0.387363 F\n0.492707 0.809343 0.789820 F\n0.611048 0.287292 0.068268 F\n0.647499 0.449067 0.244646 F\n0.780160 0.529819 0.651817 F\n0.631111 0.175746 0.307577 F\n0.147499 0.050933 0.755354 F\n0.280160 0.970181 0.348183 F\n",
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},
{
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"structure_string": "Li1 V1 F6\n1.0\n2.720886 4.904706 0.000000\n-2.720886 4.904706 0.000000\n0.000000 1.555285 4.585412\nLi V F\n1 1 6\ndirect\n0.630304 0.630304 0.375682 Li\n0.003203 0.003203 0.989963 V\n0.171663 0.695960 0.820778 F\n0.167041 0.167041 0.695103 F\n0.307369 0.840669 0.184091 F\n0.695960 0.171663 0.820778 F\n0.832663 0.832663 0.298353 F\n0.840669 0.307369 0.184091 F\n",
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