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{
"id": "mp-768420",
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"structure_string": "Li24 Ti7 Cr5 O36\n1.0\n5.064180 0.000000 0.000000\n-0.811904 9.782805 0.000000\n-2.509366 -1.922548 13.058917\nLi Ti Cr O\n24 7 5 36\ndirect\n0.163991 0.998545 0.834395 Li\n0.048175 0.998459 0.610877 Li\n0.999928 0.749725 0.250496 Li\n0.334587 0.749503 0.916302 Li\n0.049074 0.498958 0.113299 Li\n0.383954 0.499333 0.779787 Li\n0.168285 0.500079 0.333524 Li\n0.502614 0.499167 0.999505 Li\n0.287049 0.499661 0.552872 Li\n0.331517 0.249471 0.416945 Li\n0.494332 0.001363 0.501694 Li\n0.288284 0.001544 0.055312 Li\n0.624307 0.000905 0.720572 Li\n0.380773 0.002847 0.278929 Li\n0.710766 0.999734 0.945112 Li\n0.666936 0.750684 0.583659 Li\n0.717923 0.500686 0.447195 Li\n0.826147 0.501039 0.667285 Li\n0.612281 0.498252 0.218341 Li\n0.950398 0.501923 0.888047 Li\n0.665476 0.250366 0.082381 Li\n0.838313 0.000036 0.166180 Li\n0.999864 0.249920 0.750066 Li\n0.951136 0.997780 0.387089 Li\n0.117134 0.255717 0.973577 Ti\n0.225806 0.753404 0.693311 Ti\n0.442538 0.751592 0.140384 Ti\n0.556011 0.749665 0.363781 Ti\n0.776153 0.247977 0.305695 Ti\n0.887928 0.247566 0.527622 Ti\n0.885352 0.746721 0.025996 Ti\n0.107437 0.748868 0.471770 Cr\n0.218247 0.249879 0.193301 Cr\n0.438140 0.249345 0.640886 Cr\n0.563023 0.249964 0.859306 Cr\n0.782113 0.750092 0.805803 Cr\n0.999015 0.862122 0.925285 O\n0.061158 0.635668 0.784553 O\n0.997176 0.363633 0.428757 O\n0.151573 0.363263 0.644791 O\n0.265981 0.363834 0.880780 O\n0.334416 0.862210 0.594091 O\n0.068201 0.134453 0.285878 O\n0.186935 0.136581 0.523005 O\n0.403081 0.135215 0.949259 O\n0.143672 0.863359 0.143164 O\n0.258872 0.863514 0.384267 O\n0.480672 0.861684 0.809718 O\n0.331821 0.138737 0.734066 O\n0.189494 0.636745 0.022342 O\n0.406667 0.634037 0.452698 O\n0.526698 0.637674 0.691426 O\n0.332539 0.636934 0.238151 O\n0.661549 0.636903 0.904407 O\n0.337956 0.364255 0.094876 O\n0.669077 0.360600 0.765780 O\n0.473242 0.361595 0.308554 O\n0.595900 0.364110 0.550637 O\n0.813337 0.363706 0.977176 O\n0.667898 0.863530 0.263229 O\n0.518722 0.138986 0.188470 O\n0.734784 0.136427 0.619796 O\n0.848232 0.136998 0.856470 O\n0.596908 0.865929 0.048011 O\n0.809708 0.863092 0.477855 O\n0.933061 0.866063 0.714299 O\n0.665420 0.135278 0.404263 O\n0.737155 0.634454 0.117979 O\n0.861980 0.637977 0.358225 O\n0.000669 0.637764 0.568965 O\n0.937028 0.363923 0.213454 O\n0.003408 0.137972 0.074024 O\n",
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"formula_full": "Li24 Ti7 Cr5 O36",
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{
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"structure_string": "Sn18 O8 F20\n1.0\n10.750272 0.000000 0.000000\n0.000000 10.750272 0.000000\n0.000000 0.000000 7.612930\nSn O F\n18 8 20\ndirect\n0.613511 0.257476 0.166516 Sn\n0.570504 0.352455 0.663071 Sn\n0.257476 0.386489 0.833484 Sn\n0.352455 0.429496 0.336929 Sn\n0.000000 0.500000 0.192692 Sn\n0.647545 0.570504 0.336929 Sn\n0.742524 0.613511 0.833484 Sn\n0.429496 0.647545 0.663071 Sn\n0.386489 0.742524 0.166516 Sn\n0.113511 0.757476 0.833484 Sn\n0.070504 0.852455 0.336929 Sn\n0.757476 0.886489 0.166516 Sn\n0.852455 0.929496 0.663071 Sn\n0.500000 0.000000 0.807308 Sn\n0.147545 0.070504 0.663071 Sn\n0.242524 0.113511 0.166516 Sn\n0.929496 0.147545 0.336929 Sn\n0.886489 0.242524 0.833484 Sn\n0.554670 0.381078 0.372235 O\n0.381078 0.445330 0.627765 O\n0.618922 0.554670 0.627765 O\n0.445330 0.618922 0.372235 O\n0.054670 0.881078 0.627765 O\n0.881078 0.945330 0.372235 O\n0.118922 0.054670 0.372235 O\n0.945330 0.118922 0.627765 O\n0.122198 0.285442 0.156984 F\n0.138047 0.308659 0.638948 F\n0.785442 0.377802 0.156984 F\n0.808658 0.361953 0.638948 F\n0.000000 0.500000 0.925813 F\n0.500000 0.500000 0.000000 F\n0.191341 0.638047 0.638948 F\n0.214558 0.622198 0.156984 F\n0.861953 0.691342 0.638948 F\n0.877802 0.714558 0.156984 F\n0.622198 0.785442 0.843016 F\n0.638047 0.808658 0.361052 F\n0.285442 0.877802 0.843016 F\n0.308659 0.861953 0.361052 F\n0.000000 0.000000 0.000000 F\n0.500000 0.000000 0.074187 F\n0.691342 0.138047 0.361052 F\n0.714558 0.122198 0.843016 F\n0.361953 0.191341 0.361052 F\n0.377802 0.214558 0.843016 F\n",
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"volume": 879.8137441028751,
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"formula_full": "Sn18 O8 F20",
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},
{
"id": "mp-1206538",
"created_at": "2022-09-04T14:41:29.731338Z",
"structure_string": "Ba1 Sr1 Cu2 O4\n1.0\n3.984282 0.000000 0.000000\n0.000000 3.984282 0.000000\n0.000000 0.000000 7.348121\nBa Sr Cu O\n1 1 2 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.229412 Cu\n0.500000 0.500000 0.770588 Cu\n0.500000 0.000000 0.233349 O\n0.500000 0.000000 0.766651 O\n0.000000 0.500000 0.233349 O\n0.000000 0.500000 0.766651 O\n",
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"formula_full": "Ba1 Sr1 Cu2 O4",
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},
{
"id": "mp-755240",
"created_at": "2022-09-04T14:41:29.736662Z",
"structure_string": "As4 Au4 O12\n1.0\n5.427481 6.359385 0.000000\n-5.427481 6.359385 0.000000\n0.000000 1.372924 4.985943\nAs Au O\n4 4 12\ndirect\n0.626852 0.797084 0.838086 As\n0.797084 0.626852 0.338086 As\n0.202916 0.373148 0.661914 As\n0.373148 0.202916 0.161914 As\n0.085571 0.914429 0.250000 Au\n0.726135 0.273865 0.250000 Au\n0.273865 0.726135 0.750000 Au\n0.914429 0.085571 0.750000 Au\n0.767948 0.924377 0.688880 O\n0.924377 0.767948 0.188880 O\n0.429862 0.878135 0.811512 O\n0.617917 0.692632 0.179341 O\n0.878135 0.429862 0.311512 O\n0.692632 0.617917 0.679341 O\n0.307368 0.382083 0.320659 O\n0.121865 0.570138 0.688488 O\n0.382083 0.307368 0.820659 O\n0.570138 0.121865 0.188488 O\n0.075623 0.232052 0.811120 O\n0.232052 0.075623 0.311120 O\n",
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{
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"structure_string": "Cd6 In4 N8\n1.0\n7.074749 -1.185087 -0.242931\n-6.524289 8.337254 0.000000\n-0.333869 -0.261268 5.923414\nCd In N\n6 4 8\ndirect\n0.227939 0.962926 0.091067 Cd\n0.772061 0.734987 0.408933 Cd\n0.772061 0.037074 0.908933 Cd\n0.227939 0.265013 0.591067 Cd\n0.000000 0.650623 0.750000 Cd\n0.000000 0.349377 0.250000 Cd\n0.574730 0.174919 0.631049 In\n0.425270 0.600188 0.868951 In\n0.425270 0.825081 0.368951 In\n0.574730 0.399812 0.131049 In\n0.203418 0.885611 0.484644 N\n0.796582 0.682193 0.015356 N\n0.796582 0.114389 0.515356 N\n0.203418 0.317807 0.984644 N\n0.623642 0.233012 0.002524 N\n0.376358 0.609370 0.497476 N\n0.376358 0.766988 0.997476 N\n0.623642 0.390630 0.502524 N\n",
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{
"id": "mp-1105393",
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"structure_string": "Li7 Eu4 Bi6\n1.0\n2.416699 8.797950 0.000000\n-2.416699 8.797950 0.000000\n0.000000 7.487606 10.433594\nLi Eu Bi\n7 4 6\ndirect\n0.050552 0.050552 0.680346 Li\n0.949448 0.949448 0.319654 Li\n0.237511 0.237511 0.912076 Li\n0.762489 0.762489 0.087924 Li\n0.417496 0.417496 0.656290 Li\n0.582504 0.582504 0.343710 Li\n0.000000 0.000000 0.500000 Li\n0.259308 0.259308 0.339934 Eu\n0.740692 0.740692 0.660066 Eu\n0.432360 0.432360 0.913602 Eu\n0.567640 0.567640 0.086398 Eu\n0.094381 0.094381 0.866617 Bi\n0.905619 0.905619 0.133383 Bi\n0.154351 0.154351 0.185163 Bi\n0.845649 0.845649 0.814837 Bi\n0.384640 0.384640 0.463038 Bi\n0.615360 0.615360 0.536962 Bi\n",
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],
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{
"id": "mp-1177173",
"created_at": "2022-09-04T14:41:29.757625Z",
"structure_string": "Li10 Mn8 P16 O56\n1.0\n9.751501 0.000000 0.000000\n0.006323 9.849248 0.000000\n0.015866 2.270842 11.049025\nLi Mn P O\n10 8 16 56\ndirect\n0.473753 0.884512 0.497898 Li\n0.107131 0.912811 0.019588 Li\n0.589584 0.585537 0.975412 Li\n0.922822 0.649849 0.469339 Li\n0.212658 0.596655 0.551883 Li\n0.577440 0.152591 0.955601 Li\n0.116960 0.360974 0.045273 Li\n0.889459 0.089655 0.970174 Li\n0.596546 0.179617 0.447977 Li\n0.281191 0.112004 0.552108 Li\n0.921168 0.795614 0.678975 Mn\n0.221401 0.736521 0.831722 Mn\n0.716442 0.771441 0.169509 Mn\n0.427278 0.686786 0.332078 Mn\n0.580065 0.294707 0.671275 Mn\n0.284593 0.253210 0.828826 Mn\n0.775535 0.284312 0.166466 Mn\n0.071122 0.189322 0.332569 Mn\n0.450485 0.977807 0.755438 P\n0.704591 0.879376 0.893624 P\n0.935409 0.937710 0.240166 P\n0.156336 0.865973 0.424327 P\n0.644810 0.619403 0.573632 P\n0.423676 0.567857 0.753999 P\n0.042581 0.478776 0.758880 P\n0.212222 0.620316 0.121056 P\n0.784000 0.386346 0.889028 P\n0.938460 0.535605 0.240013 P\n0.570594 0.434335 0.243023 P\n0.344367 0.365371 0.418324 P\n0.859745 0.116472 0.571599 P\n0.074619 0.060417 0.755627 P\n0.289063 0.113483 0.121787 P\n0.556864 0.026809 0.245925 P\n0.426356 0.979719 0.622590 O\n0.856015 0.959793 0.569375 O\n0.081903 0.910858 0.729469 O\n0.340445 0.906608 0.842388 O\n0.589777 0.892511 0.788238 O\n0.828794 0.827593 0.835841 O\n0.647441 0.771201 0.004206 O\n0.246870 0.974640 0.103294 O\n0.077679 0.875103 0.297089 O\n0.936671 0.939655 0.106078 O\n0.556229 0.880405 0.211341 O\n0.301271 0.808132 0.407886 O\n0.821482 0.836127 0.299395 O\n0.073324 0.763636 0.517039 O\n0.558140 0.707561 0.470423 O\n0.308706 0.659569 0.684918 O\n0.786767 0.681331 0.586246 O\n0.025933 0.633482 0.778471 O\n0.568176 0.630760 0.697534 O\n0.421711 0.587273 0.883279 O\n0.754521 0.525392 0.914735 O\n0.163966 0.727954 0.008871 O\n0.326995 0.687022 0.185964 O\n0.087571 0.604141 0.218963 O\n0.581151 0.582334 0.270850 O\n0.841552 0.628165 0.148531 O\n0.079961 0.471614 0.631804 O\n0.329230 0.513209 0.438785 O\n0.650876 0.466838 0.565113 O\n0.905647 0.525696 0.370090 O\n0.138012 0.403343 0.860023 O\n0.416835 0.416846 0.732918 O\n0.897449 0.400180 0.783611 O\n0.667566 0.307714 0.841378 O\n0.848965 0.282452 0.003184 O\n0.241663 0.481835 0.093589 O\n0.591136 0.428764 0.111443 O\n0.423842 0.376106 0.289771 O\n0.944790 0.389828 0.199875 O\n0.207445 0.296250 0.403413 O\n0.678479 0.328145 0.310683 O\n0.433581 0.269965 0.512260 O\n0.937992 0.200782 0.463373 O\n0.193966 0.150934 0.697157 O\n0.715983 0.174339 0.583919 O\n0.473799 0.128522 0.780066 O\n0.061103 0.067140 0.888076 O\n0.935382 0.130563 0.694542 O\n0.717791 0.018661 0.929559 O\n0.352037 0.207762 0.009036 O\n0.174777 0.195393 0.177470 O\n0.405899 0.090932 0.226482 O\n0.651829 0.123185 0.155368 O\n0.922614 0.085663 0.269182 O\n0.167414 0.013306 0.446108 O\n0.582045 0.020192 0.378764 O\n",
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"formula_full": "Li10 Mn8 P16 O56",
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{
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{
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{
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"structure_string": "K1 Ba3 Y2 Co6 O16\n1.0\n-2.787321 2.787321 11.517775\n2.787321 -2.787321 11.517775\n2.787321 2.787321 -11.517775\nK Ba Y Co O\n1 3 2 6 16\ndirect\n0.415657 0.415657 0.000000 K\n0.915608 0.915608 0.000000 Ba\n0.084742 0.084742 0.000000 Ba\n0.582433 0.582433 0.000000 Ba\n0.750546 0.750546 0.000000 Y\n0.252551 0.252551 0.000000 Y\n0.331840 0.831840 0.500000 Co\n0.831840 0.331840 0.500000 Co\n0.171501 0.671501 0.500000 Co\n0.671501 0.171501 0.500000 Co\n0.998148 0.498148 0.500000 Co\n0.498148 0.998148 0.500000 Co\n0.417868 0.917868 0.500000 O\n0.917868 0.417868 0.500000 O\n0.081238 0.581238 0.500000 O\n0.581238 0.081238 0.500000 O\n0.562821 0.562821 0.503350 O\n0.059471 0.059471 0.496650 O\n0.562821 0.059471 0.000000 O\n0.059471 0.562821 0.000000 O\n0.437343 0.437343 0.499220 O\n0.938123 0.938123 0.500780 O\n0.437343 0.938123 0.000000 O\n0.938123 0.437343 0.000000 O\n0.246867 0.246867 0.492854 O\n0.754012 0.754012 0.507146 O\n0.246867 0.754012 0.000000 O\n0.754012 0.246867 0.000000 O\n",
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{
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"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.035535 0.000000 0.000000\n0.893860 6.531100 0.000000\n1.730529 0.313374 7.484935\nLi Mn Co O\n8 2 4 14\ndirect\n0.790381 0.434432 0.924189 Li\n0.931717 0.138892 0.642402 Li\n0.646010 0.715180 0.213960 Li\n0.491961 0.989959 0.504772 Li\n0.353229 0.288769 0.784239 Li\n0.216329 0.574488 0.064455 Li\n0.073077 0.852694 0.365269 Li\n0.142363 0.716053 0.715504 Li\n0.004158 0.992575 0.993164 Mn\n0.710443 0.579769 0.575915 Mn\n0.281252 0.437877 0.437097 Co\n0.427185 0.141144 0.145326 Co\n0.571132 0.855225 0.855487 Co\n0.854606 0.287549 0.286413 Co\n0.682665 0.119890 0.903946 O\n0.799257 0.842733 0.617242 O\n0.534922 0.415782 0.190443 O\n0.413169 0.700490 0.468162 O\n0.253314 0.994253 0.768672 O\n0.102032 0.268138 0.038608 O\n0.956616 0.566126 0.334831 O\n0.879688 0.739102 0.961423 O\n0.029092 0.432865 0.660616 O\n0.760119 0.009892 0.235102 O\n0.612741 0.306149 0.534283 O\n0.489097 0.586428 0.811949 O\n0.312253 0.866423 0.088999 O\n0.181192 0.147123 0.377533 O\n",
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{
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"structure_string": "K2 Na1 Ce1 Cl6\n1.0\n0.000000 5.472759 5.472759\n5.472759 0.000000 5.472759\n5.472759 5.472759 0.000000\nK Na Ce Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ce\n0.750315 0.249685 0.249685 Cl\n0.249685 0.249685 0.750315 Cl\n0.249685 0.750315 0.750315 Cl\n0.249685 0.750315 0.249685 Cl\n0.750315 0.249685 0.750315 Cl\n0.750315 0.750315 0.249685 Cl\n",
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}