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{
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"results": [
{
"id": "mp-768392",
"created_at": "2022-09-04T14:46:04.533125Z",
"structure_string": "Li24 Ti7 Cr5 O36\n1.0\n5.083965 0.000000 0.000000\n-0.863920 9.768652 0.000000\n-2.487974 -1.868571 13.015611\nLi Ti Cr O\n24 7 5 36\ndirect\n0.161284 0.000135 0.834976 Li\n0.050562 0.000817 0.611469 Li\n0.000187 0.749897 0.250314 Li\n0.332842 0.750010 0.915692 Li\n0.048470 0.500128 0.112770 Li\n0.381903 0.497379 0.779332 Li\n0.163285 0.500723 0.334803 Li\n0.500490 0.499549 0.000078 Li\n0.288590 0.499938 0.552324 Li\n0.332977 0.249858 0.416418 Li\n0.493179 0.000637 0.502199 Li\n0.286977 0.001111 0.053588 Li\n0.619555 0.001605 0.720560 Li\n0.386083 0.001849 0.280434 Li\n0.709794 0.998047 0.944542 Li\n0.666163 0.750122 0.582212 Li\n0.717815 0.500053 0.447098 Li\n0.828602 0.498306 0.668576 Li\n0.613509 0.498200 0.218449 Li\n0.955927 0.501439 0.886738 Li\n0.667197 0.249748 0.084426 Li\n0.837699 0.000444 0.165866 Li\n0.998741 0.250192 0.749360 Li\n0.949497 0.998053 0.386897 Li\n0.111379 0.249702 0.974913 Ti\n0.222548 0.750330 0.696003 Ti\n0.559204 0.251728 0.860723 Ti\n0.444395 0.750160 0.139907 Ti\n0.557511 0.750185 0.364499 Ti\n0.888990 0.247763 0.524697 Ti\n0.890663 0.750840 0.025868 Ti\n0.109400 0.749377 0.472336 Cr\n0.225698 0.250698 0.198783 Cr\n0.439950 0.250489 0.638726 Cr\n0.773940 0.749156 0.803122 Cr\n0.775249 0.249631 0.302085 Cr\n0.000541 0.861970 0.926281 O\n0.072302 0.633211 0.784059 O\n0.997625 0.362662 0.426634 O\n0.152693 0.362475 0.643022 O\n0.264543 0.365798 0.882322 O\n0.332360 0.861382 0.593581 O\n0.076732 0.135850 0.283288 O\n0.187445 0.136691 0.521220 O\n0.402326 0.133909 0.951690 O\n0.143764 0.863935 0.143091 O\n0.258793 0.864133 0.383841 O\n0.472832 0.864076 0.809138 O\n0.329825 0.137813 0.734346 O\n0.190087 0.636748 0.022884 O\n0.407284 0.633136 0.453052 O\n0.530898 0.638190 0.691594 O\n0.332603 0.636359 0.238554 O\n0.664918 0.638447 0.901876 O\n0.335399 0.362102 0.098229 O\n0.671545 0.362731 0.762315 O\n0.468820 0.362041 0.307983 O\n0.594755 0.364447 0.548403 O\n0.809728 0.364026 0.977230 O\n0.668885 0.863845 0.263241 O\n0.532452 0.138264 0.192710 O\n0.732080 0.136493 0.618475 O\n0.856541 0.136621 0.857135 O\n0.597754 0.866276 0.048206 O\n0.807450 0.863696 0.478344 O\n0.925174 0.864706 0.716811 O\n0.666176 0.137202 0.401985 O\n0.736252 0.634072 0.117800 O\n0.863695 0.638195 0.358986 O\n0.999875 0.637599 0.569265 O\n0.924133 0.364209 0.217463 O\n0.001458 0.138394 0.074163 O\n",
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"formula_full": "Li24 Ti7 Cr5 O36",
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"energy": -519.51581997,
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"spacegroup": 1
},
{
"id": "mp-760259",
"created_at": "2022-09-04T14:46:04.557656Z",
"structure_string": "Li12 V6 P16 O58\n1.0\n9.829154 0.000000 0.000000\n4.900264 8.523294 0.000000\n0.052559 0.006915 13.896378\nLi V P O\n12 6 16 58\ndirect\n0.317790 0.907458 0.438454 Li\n0.671337 0.667495 0.616039 Li\n0.670814 0.669293 0.116830 Li\n0.315322 0.774467 0.938069 Li\n0.909901 0.316540 0.938713 Li\n0.225402 0.676497 0.558602 Li\n0.772807 0.314865 0.438123 Li\n0.091123 0.680666 0.061215 Li\n0.679600 0.223675 0.057809 Li\n0.682106 0.089656 0.561227 Li\n0.094336 0.226904 0.559701 Li\n0.229007 0.096856 0.060270 Li\n0.430566 0.567638 0.751989 V\n0.564651 0.431982 0.249192 V\n0.998823 0.572527 0.254133 V\n0.002835 0.435129 0.749313 V\n0.571031 0.000396 0.754580 V\n0.433032 0.002743 0.252323 V\n0.770182 0.912612 0.157492 P\n0.913533 0.771715 0.658654 P\n0.322076 0.910066 0.658366 P\n0.667283 0.666055 0.873482 P\n0.664998 0.665576 0.373413 P\n0.320327 0.771128 0.158598 P\n0.231324 0.680465 0.342448 P\n0.911322 0.320715 0.157220 P\n0.085253 0.682259 0.844862 P\n0.769372 0.321092 0.656349 P\n0.681577 0.231294 0.840977 P\n0.334406 0.331878 0.626415 P\n0.330721 0.335915 0.126091 P\n0.684677 0.083885 0.345027 P\n0.086333 0.233561 0.341817 P\n0.231557 0.088091 0.842566 P\n0.751958 0.003454 0.437348 O\n0.746439 0.918931 0.659123 O\n0.006829 0.753672 0.937204 O\n0.917791 0.746963 0.157895 O\n0.625417 0.889569 0.173553 O\n0.670956 0.809978 0.830221 O\n0.486553 0.890056 0.673054 O\n0.244914 0.997383 0.933022 O\n0.335685 0.920921 0.159141 O\n0.808903 0.669804 0.329334 O\n0.889743 0.626688 0.673188 O\n0.510439 0.813932 0.336658 O\n0.667089 0.661896 0.981741 O\n0.664317 0.660018 0.481356 O\n0.513323 0.670257 0.836110 O\n0.892096 0.485327 0.172793 O\n0.816763 0.513313 0.833538 O\n0.338709 0.744087 0.658528 O\n0.212111 0.790884 0.250024 O\n0.242715 0.759249 0.432174 O\n0.244081 0.757902 0.068569 O\n0.486832 0.627896 0.174311 O\n0.668424 0.512740 0.332740 O\n0.250902 0.668076 0.838591 O\n0.627202 0.486814 0.674035 O\n0.919135 0.333747 0.655249 O\n0.993011 0.793518 0.754648 O\n0.008946 0.759933 0.572928 O\n0.997004 0.243901 0.432286 O\n0.085758 0.662253 0.339117 O\n0.381266 0.521382 0.326379 O\n0.747625 0.335477 0.155644 O\n0.328408 0.483863 0.666335 O\n0.522455 0.382828 0.822332 O\n0.756736 0.246795 0.931277 O\n0.753750 0.243008 0.567734 O\n0.790158 0.212232 0.749104 O\n0.665077 0.249778 0.339713 O\n0.184190 0.488879 0.166954 O\n0.100931 0.520273 0.825075 O\n0.484567 0.333060 0.168383 O\n0.336713 0.336255 0.018949 O\n0.329775 0.329083 0.519260 O\n0.483601 0.184588 0.668017 O\n0.100819 0.378969 0.322741 O\n0.181427 0.331264 0.668580 O\n0.660117 0.087554 0.840011 O\n0.792401 0.991876 0.254496 O\n0.760874 0.008547 0.072974 O\n0.523100 0.093867 0.322557 O\n0.327316 0.188334 0.166670 O\n0.377867 0.101430 0.822452 O\n0.081895 0.249641 0.842093 O\n0.003634 0.241644 0.067708 O\n0.998129 0.212143 0.249612 O\n0.249435 0.082942 0.341553 O\n0.242359 0.999764 0.568451 O\n0.213102 0.997083 0.750225 O\n",
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],
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"density": 2.5852266513102,
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{
"id": "mp-1234462",
"created_at": "2022-09-04T14:46:04.549712Z",
"structure_string": "Mg1 Zr2 H10 S6 O28\n1.0\n5.323547 0.122394 -0.021531\n-0.498131 8.869272 -0.273396\n0.159439 0.262444 12.706069\nMg Zr H S O\n1 2 10 6 28\ndirect\n0.754638 0.584014 0.273156 Mg\n0.759936 0.895924 0.816733 Zr\n0.214451 0.105699 0.170698 Zr\n0.429782 0.674480 0.560647 H\n0.595517 0.346505 0.476029 H\n0.274442 0.840851 0.538767 H\n0.679071 0.173416 0.482961 H\n0.430315 0.755910 0.443929 H\n0.520687 0.250385 0.589369 H\n0.130824 0.377737 0.826681 H\n0.970695 0.601089 0.088146 H\n0.327282 0.431513 0.907566 H\n0.727431 0.499423 0.072588 H\n0.765763 0.618927 0.701836 S\n0.261880 0.386842 0.294573 S\n0.262996 0.061900 0.675321 S\n0.713001 0.946429 0.322643 S\n0.254270 0.802785 0.992900 S\n0.715534 0.202477 0.005190 S\n0.896288 0.773646 0.680278 O\n0.175409 0.235450 0.332784 O\n0.586232 0.581132 0.616509 O\n0.505286 0.439015 0.344030 O\n0.940922 0.502394 0.717603 O\n0.076362 0.502313 0.317354 O\n0.623153 0.664280 0.802679 O\n0.306976 0.361387 0.179207 O\n0.232781 0.994046 0.570268 O\n0.709993 0.011791 0.427408 O\n0.025883 0.053683 0.737935 O\n0.962892 0.961598 0.269834 O\n0.352001 0.219969 0.667526 O\n0.645812 0.780393 0.329607 O\n0.456557 0.974438 0.735284 O\n0.523143 0.016199 0.253520 O\n0.065332 0.829079 0.908971 O\n0.903367 0.174663 0.093184 O\n0.780914 0.109415 0.914041 O\n0.181529 0.899101 0.086349 O\n0.245530 0.646797 0.025826 O\n0.708213 0.360643 0.983963 O\n0.505502 0.853866 0.954458 O\n0.469256 0.143582 0.050019 O\n0.226921 0.343138 0.886233 O\n0.802829 0.577236 0.121124 O\n0.320810 0.735841 0.506003 O\n0.656590 0.270026 0.524311 O\n",
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"formula_full": "Mg1 Zr2 H10 S6 O28",
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{
"id": "mp-756353",
"created_at": "2022-09-04T14:46:04.600684Z",
"structure_string": "Li1 Fe3 O2 F6\n1.0\n-5.273754 0.000000 0.000000\n1.091979 5.244231 0.000000\n-0.199313 -1.956011 -5.721163\nLi Fe O F\n1 3 2 6\ndirect\n0.009582 0.979099 0.994543 Li\n0.260450 0.493046 0.878497 Fe\n0.743234 0.483031 0.127294 Fe\n0.246939 0.538614 0.375698 Fe\n0.374412 0.305188 0.076455 O\n0.103097 0.702005 0.165029 O\n0.901128 0.245350 0.847015 F\n0.896010 0.280395 0.296300 F\n0.327668 0.303266 0.554863 F\n0.636502 0.702373 0.942276 F\n0.155195 0.733655 0.706605 F\n0.613623 0.722439 0.417130 F\n",
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{
"id": "mp-780299",
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"structure_string": "Fe10 O16 F4\n1.0\n4.656714 0.000000 0.000000\n0.130511 4.654899 0.000000\n0.106024 0.102041 15.068531\nFe O F\n10 16 4\ndirect\n0.996552 0.998592 0.002171 Fe\n0.002274 0.008606 0.205731 Fe\n0.018802 0.979272 0.400027 Fe\n0.989701 0.995774 0.594674 Fe\n0.986893 0.988588 0.797126 Fe\n0.471913 0.475510 0.099673 Fe\n0.489925 0.501873 0.503842 Fe\n0.496351 0.508650 0.296514 Fe\n0.518426 0.521402 0.700436 Fe\n0.522200 0.522993 0.900077 Fe\n0.812340 0.807241 0.302717 O\n0.809101 0.800785 0.495179 O\n0.813233 0.818286 0.695576 O\n0.817025 0.818352 0.902028 O\n0.300046 0.692601 0.000836 O\n0.296254 0.689907 0.196931 O\n0.319222 0.679646 0.400069 O\n0.305898 0.697998 0.603885 O\n0.313020 0.702869 0.798411 O\n0.690640 0.302983 0.001069 O\n0.684578 0.304812 0.199192 O\n0.691130 0.310996 0.601674 O\n0.700578 0.315101 0.798037 O\n0.175284 0.180361 0.101179 O\n0.190297 0.184672 0.498203 O\n0.197297 0.189414 0.305199 O\n0.791210 0.797723 0.102806 F\n0.699964 0.299025 0.400280 F\n0.202185 0.202890 0.897853 F\n0.197663 0.203078 0.698604 F\n",
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"formula_full": "Fe10 O16 F4",
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{
"id": "mp-772637",
"created_at": "2022-09-04T14:46:04.671488Z",
"structure_string": "Na6 Li6 Mn4 P4 C4 O28\n1.0\n6.769928 0.000000 0.000000\n-0.032465 8.747831 0.000000\n-0.006659 -0.207753 10.136858\nNa Li Mn P C O\n6 6 4 4 4 28\ndirect\n0.249786 0.915719 0.379012 Na\n0.999843 0.747291 0.627370 Na\n0.999213 0.743659 0.122653 Na\n0.501388 0.744090 0.122633 Na\n0.500331 0.252845 0.875384 Na\n0.501268 0.254232 0.374762 Na\n0.247984 0.920869 0.875109 Li\n0.477137 0.729941 0.619030 Li\n0.980366 0.265536 0.884236 Li\n0.978027 0.271350 0.385682 Li\n0.753252 0.086189 0.626735 Li\n0.760968 0.089582 0.123289 Li\n0.748543 0.641665 0.884942 Mn\n0.746202 0.639582 0.391056 Mn\n0.244275 0.354933 0.613433 Mn\n0.245444 0.355807 0.108648 Mn\n0.249778 0.595149 0.849103 P\n0.243828 0.585402 0.354308 P\n0.748842 0.404771 0.648371 P\n0.753645 0.401704 0.145424 P\n0.757557 0.954816 0.865254 C\n0.758861 0.954586 0.367082 C\n0.256484 0.051979 0.639310 C\n0.248658 0.052041 0.129732 C\n0.275979 0.905416 0.655115 O\n0.250645 0.906504 0.150101 O\n0.752005 0.911277 0.987495 O\n0.753377 0.910911 0.488790 O\n0.744656 0.853370 0.769329 O\n0.745326 0.852256 0.271375 O\n0.067949 0.696099 0.886584 O\n0.433811 0.684746 0.900043 O\n0.062018 0.683181 0.396701 O\n0.429750 0.674777 0.405631 O\n0.263752 0.579105 0.695149 O\n0.733874 0.570602 0.595255 O\n0.251174 0.573061 0.200694 O\n0.750701 0.564849 0.087921 O\n0.234297 0.431138 0.904908 O\n0.770143 0.419203 0.801797 O\n0.233297 0.420863 0.408050 O\n0.770747 0.419677 0.299214 O\n0.564442 0.305763 0.612638 O\n0.927462 0.314394 0.590656 O\n0.565487 0.307263 0.109700 O\n0.928803 0.304306 0.091094 O\n0.239604 0.141730 0.742552 O\n0.244446 0.147760 0.229924 O\n0.252429 0.110842 0.523005 O\n0.250575 0.102215 0.010052 O\n0.775083 0.097632 0.836236 O\n0.776485 0.097322 0.337434 O\n",
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"formula_full": "Na6 Li6 Mn4 P4 C4 O28",
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