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{
"id": "mp-765634",
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"structure_string": "Li8 Fe8 P8 O32\n1.0\n10.337479 0.000000 0.000000\n0.000000 5.840126 0.000000\n0.000000 0.580222 10.063360\nLi Fe P O\n8 8 8 32\ndirect\n0.083910 0.877232 0.731082 Li\n0.416090 0.877232 0.231082 Li\n0.605388 0.640241 0.016476 Li\n0.894612 0.640241 0.516476 Li\n0.105388 0.359759 0.483524 Li\n0.394612 0.359759 0.983524 Li\n0.583910 0.122768 0.768918 Li\n0.916090 0.122768 0.268918 Li\n0.845732 0.871288 0.850477 Fe\n0.654268 0.871288 0.350477 Fe\n0.332746 0.622078 0.638411 Fe\n0.167254 0.622078 0.138411 Fe\n0.832746 0.377922 0.861589 Fe\n0.667254 0.377922 0.361589 Fe\n0.345732 0.128712 0.649523 Fe\n0.154268 0.128712 0.149523 Fe\n0.350809 0.873285 0.905293 P\n0.149191 0.873285 0.405293 P\n0.604150 0.631306 0.651036 P\n0.895850 0.631306 0.151036 P\n0.104150 0.368694 0.848964 P\n0.395850 0.368694 0.348964 P\n0.850809 0.126715 0.594707 P\n0.649191 0.126715 0.094707 P\n0.232981 0.898149 0.531875 O\n0.920184 0.896709 0.635124 O\n0.267019 0.898149 0.031875 O\n0.579816 0.896709 0.135124 O\n0.261542 0.838399 0.781720 O\n0.514359 0.846930 0.639067 O\n0.238458 0.838399 0.281720 O\n0.985641 0.846930 0.139067 O\n0.440841 0.668327 0.923762 O\n0.698064 0.638343 0.771801 O\n0.059159 0.668327 0.423762 O\n0.685876 0.621645 0.519040 O\n0.012805 0.581594 0.834503 O\n0.801936 0.638343 0.271801 O\n0.814124 0.621645 0.019040 O\n0.487195 0.581594 0.334503 O\n0.512805 0.418406 0.665497 O\n0.185876 0.378355 0.980960 O\n0.198064 0.361657 0.728199 O\n0.987195 0.418406 0.165497 O\n0.314124 0.378355 0.480960 O\n0.940841 0.331673 0.576238 O\n0.301936 0.361657 0.228199 O\n0.559159 0.331673 0.076238 O\n0.014359 0.153070 0.860933 O\n0.761542 0.161601 0.718280 O\n0.485641 0.153070 0.360933 O\n0.738458 0.161601 0.218280 O\n0.420184 0.103291 0.864876 O\n0.732981 0.101851 0.968125 O\n0.079816 0.103291 0.364876 O\n0.767019 0.101851 0.468125 O\n",
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{
"id": "mp-1210520",
"created_at": "2022-09-04T14:44:13.355676Z",
"structure_string": "Rb8 Ta4 Ag4 S8\n1.0\n5.881509 0.000000 0.000000\n2.940754 6.185233 0.000000\n2.940754 0.000000 23.146372\nRb Ta Ag S\n8 4 4 8\ndirect\n0.504382 0.271682 0.607962 Rb\n0.887656 0.728318 0.607962 Rb\n0.223936 0.271682 0.392038 Rb\n0.245618 0.228318 0.892038 Rb\n0.384026 0.728318 0.392038 Rb\n0.862344 0.771682 0.892038 Rb\n0.526064 0.228318 0.107962 Rb\n0.365974 0.771682 0.107962 Rb\n0.875000 0.250000 0.250000 Ta\n0.875000 0.750000 0.250000 Ta\n0.875000 0.250000 0.750000 Ta\n0.375000 0.750000 0.750000 Ta\n0.375000 0.250000 0.250000 Ag\n0.375000 0.750000 0.250000 Ag\n0.375000 0.250000 0.750000 Ag\n0.875000 0.750000 0.750000 Ag\n0.990836 0.239010 0.151350 S\n0.857814 0.760990 0.151350 S\n0.770154 0.239010 0.848650 S\n0.759164 0.260990 0.348650 S\n0.381196 0.760990 0.848650 S\n0.892186 0.739010 0.348650 S\n0.979846 0.260990 0.651350 S\n0.368804 0.739010 0.651350 S\n",
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{
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"structure_string": "Tl3 V24 S32\n1.0\n9.202701 0.000000 0.000000\n-0.133362 9.235434 0.000000\n-3.156040 -3.807772 12.787236\nTl V S\n3 24 32\ndirect\n0.992076 0.998976 0.020734 Tl\n0.651587 0.584677 0.347887 Tl\n0.396751 0.411171 0.673232 Tl\n0.257686 0.956178 0.938106 V\n0.015251 0.600413 0.985526 V\n0.435226 0.328971 0.989414 V\n0.354410 0.260944 0.260586 V\n0.790501 0.045144 0.312083 V\n0.408727 0.794522 0.222763 V\n0.077951 0.636383 0.220187 V\n0.900038 0.375399 0.172098 V\n0.107958 0.135363 0.346934 V\n0.054432 0.019501 0.487873 V\n0.463525 0.882305 0.534297 V\n0.209473 0.619836 0.452688 V\n0.852955 0.450191 0.549496 V\n0.486702 0.188872 0.455317 V\n0.816027 0.906230 0.545731 V\n0.866514 0.954547 0.728900 V\n0.130601 0.627232 0.836696 V\n0.959610 0.369182 0.769689 V\n0.633178 0.164475 0.870836 V\n0.214154 0.947465 0.671245 V\n0.642457 0.684285 0.737042 V\n0.596114 0.659139 0.015496 V\n0.988920 0.367523 0.011973 V\n0.527047 0.991069 0.999113 V\n0.844083 0.569285 0.086458 S\n0.359441 0.153988 0.082429 S\n0.602666 0.898667 0.153987 S\n0.154278 0.388853 0.169885 S\n0.672638 0.233669 0.054674 S\n0.179275 0.763020 0.112752 S\n0.484418 0.558245 0.125057 S\n0.917976 0.142518 0.208118 S\n0.611650 0.259776 0.334057 S\n0.996983 0.886880 0.311857 S\n0.329150 0.719689 0.357810 S\n0.947052 0.230466 0.454320 S\n0.317934 0.036864 0.292811 S\n0.974381 0.527633 0.337377 S\n0.286911 0.365403 0.422127 S\n0.621647 0.959732 0.421835 S\n0.310085 0.078708 0.552494 S\n0.761997 0.702758 0.605469 S\n0.082318 0.472114 0.668244 S\n0.626843 0.027300 0.686970 S\n0.041741 0.789037 0.526951 S\n0.694310 0.334894 0.612090 S\n0.001345 0.109508 0.657480 S\n0.378531 0.734485 0.629321 S\n0.085336 0.842369 0.780445 S\n0.559493 0.413928 0.880485 S\n0.884400 0.193566 0.857716 S\n0.373236 0.732975 0.920960 S\n0.865131 0.594137 0.827504 S\n0.376891 0.082775 0.845643 S\n0.693717 0.857749 0.907616 S\n0.175872 0.420616 0.917515 S\n",
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"elements": [
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],
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"density": 4.372632776634546,
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"energy": -411.35129827,
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{
"id": "mp-24022",
"created_at": "2022-09-04T14:44:13.359540Z",
"structure_string": "Rb4 H12 Se8 O24\n1.0\n6.061721 0.000000 0.000000\n0.000000 6.488114 0.000000\n0.000000 0.000000 18.277622\nRb H Se O\n4 12 8 24\ndirect\n0.017770 0.482597 0.163137 Rb\n0.517770 0.017403 0.836863 Rb\n0.982230 0.982597 0.336863 Rb\n0.482230 0.517403 0.663137 Rb\n0.025786 0.250098 0.780557 H\n0.525786 0.249902 0.219443 H\n0.974214 0.750098 0.719443 H\n0.474214 0.749902 0.280557 H\n0.349103 0.532186 0.865471 H\n0.849103 0.967814 0.134529 H\n0.650897 0.032186 0.634529 H\n0.150897 0.467814 0.365471 H\n0.729455 0.709477 0.013451 H\n0.229455 0.790523 0.986549 H\n0.270545 0.209477 0.486549 H\n0.770545 0.290523 0.513451 H\n0.962878 0.547161 0.853600 Se\n0.462878 0.952839 0.146400 Se\n0.037122 0.047161 0.646400 Se\n0.537122 0.452839 0.353600 Se\n0.480600 0.424476 0.006049 Se\n0.980600 0.075524 0.993951 Se\n0.519400 0.924476 0.493951 Se\n0.019400 0.575524 0.506049 Se\n0.980081 0.560026 0.413219 O\n0.480081 0.939974 0.586781 O\n0.019919 0.060026 0.086781 O\n0.519919 0.439974 0.913219 O\n0.789594 0.428986 0.541011 O\n0.289594 0.071014 0.458989 O\n0.210406 0.928986 0.958989 O\n0.710406 0.571014 0.041011 O\n0.240434 0.422954 0.523829 O\n0.740434 0.077046 0.476171 O\n0.759566 0.922954 0.976171 O\n0.259566 0.577046 0.023829 O\n0.666694 0.323644 0.286481 O\n0.166694 0.176356 0.713519 O\n0.333306 0.823644 0.213519 O\n0.833306 0.676356 0.786481 O\n0.258313 0.408883 0.324968 O\n0.758313 0.091117 0.675032 O\n0.741687 0.908883 0.175032 O\n0.241687 0.591117 0.824968 O\n0.558393 0.718809 0.328323 O\n0.058393 0.781191 0.671677 O\n0.441607 0.218809 0.171677 O\n0.941607 0.281191 0.828323 O\n",
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{
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"structure_string": "Zr4 V4 Ni4\n1.0\n2.539434 -4.321961 0.000000\n2.539434 4.321961 0.000000\n0.000000 0.000000 8.388356\nZr V Ni\n4 4 4\ndirect\n0.674049 0.325951 0.318590 Zr\n0.337744 0.662256 0.193655 Zr\n0.337744 0.662256 0.806345 Zr\n0.674049 0.325951 0.681410 Zr\n0.155097 0.844903 0.500000 V\n0.340863 0.167431 0.000000 V\n0.832569 0.659137 0.000000 V\n0.826462 0.173538 0.000000 V\n0.002994 0.997006 0.254817 Ni\n0.002994 0.997006 0.745183 Ni\n0.654432 0.838756 0.500000 Ni\n0.161244 0.345568 0.500000 Ni\n",
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{
"id": "mp-1571048",
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"structure_string": "Li8 V4 C8 O24\n1.0\n-0.917709 4.405700 -4.685041\n-6.700867 2.370282 5.048330\n3.100127 8.386337 4.332140\nLi V C O\n8 4 8 24\ndirect\n0.166778 0.829553 0.380901 Li\n0.666757 0.829456 0.880991 Li\n0.620236 0.665992 0.420455 Li\n0.120493 0.666254 0.920365 Li\n0.214298 0.332135 0.730706 Li\n0.714242 0.332081 0.230753 Li\n0.922772 0.169294 0.519412 Li\n0.422828 0.169301 0.019451 Li\n0.314148 0.499818 0.180179 V\n0.439444 0.999754 0.554750 V\n0.813976 0.499921 0.680257 V\n0.939420 0.999801 0.054938 V\n0.777335 0.802047 0.614771 C\n0.277379 0.801917 0.114940 C\n0.247409 0.698319 0.645237 C\n0.747420 0.698214 0.145304 C\n0.050791 0.301577 0.044617 C\n0.550650 0.301448 0.544613 C\n0.277888 0.197833 0.318219 C\n0.777946 0.197887 0.818185 C\n0.226811 0.802826 0.718338 O\n0.726645 0.802543 0.218555 O\n0.203588 0.701223 0.241628 O\n0.703456 0.701414 0.741531 O\n0.747156 0.948695 0.591026 O\n0.247130 0.948603 0.091373 O\n0.374286 0.750546 0.515506 O\n0.874252 0.750358 0.015520 O\n0.878074 0.744799 0.514254 O\n0.378176 0.744864 0.014296 O\n0.143420 0.552026 0.699666 O\n0.643458 0.551918 0.199796 O\n0.175843 0.299770 0.367343 O\n0.675752 0.299767 0.867298 O\n0.899047 0.198387 0.143662 O\n0.398904 0.198075 0.643494 O\n0.595374 0.447917 0.550503 O\n0.095554 0.448027 0.050439 O\n0.654786 0.247840 0.442742 O\n0.155018 0.247999 0.942712 O\n0.253338 0.051307 0.395238 O\n0.753564 0.051319 0.895114 O\n0.907584 0.253550 0.689392 O\n0.407701 0.253458 0.189475 O\n",
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{
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