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{
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{
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"created_at": "2022-09-04T14:39:47.943932Z",
"structure_string": "Li6 Ni4 O4 F6\n1.0\n0.000000 -2.079159 -2.079159\n10.390449 0.000000 -2.079159\n0.000000 -4.158317 4.158317\nLi Ni O F\n6 4 4 6\ndirect\n0.200000 0.600000 0.400000 Li\n0.200000 0.600000 0.900000 Li\n0.798766 0.402468 0.600617 Li\n0.798766 0.402468 0.100617 Li\n0.601234 0.797532 0.699383 Li\n0.601234 0.797532 0.199383 Li\n0.999679 0.000642 0.500161 Ni\n0.400321 0.199358 0.799839 Ni\n0.999679 0.000642 0.000161 Ni\n0.400321 0.199358 0.299839 Ni\n0.501756 0.996488 0.749122 O\n0.501756 0.996488 0.249122 O\n0.898244 0.203512 0.550878 O\n0.898244 0.203512 0.050878 O\n0.700000 0.600000 0.650000 F\n0.700000 0.600000 0.150000 F\n0.295986 0.408029 0.352007 F\n0.295986 0.408029 0.852007 F\n0.104014 0.791971 0.447993 F\n0.104014 0.791971 0.947993 F\n",
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"formula_full": "Li6 Ni4 O4 F6",
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{
"id": "mp-760189",
"created_at": "2022-09-04T14:48:14.953046Z",
"structure_string": "Li4 V4 O4 F16\n1.0\n5.038056 0.000000 0.000000\n-0.246520 7.818990 0.000000\n-0.104884 -3.812594 9.463984\nLi V O F\n4 4 4 16\ndirect\n0.031111 0.634921 0.312853 Li\n0.436706 0.653545 0.801275 Li\n0.988488 0.129327 0.365297 Li\n0.520900 0.130788 0.863999 Li\n0.535064 0.949582 0.497206 V\n0.507037 0.464176 0.491953 V\n0.965672 0.542518 0.997588 V\n0.023372 0.044906 0.002934 V\n0.647978 0.752026 0.488973 O\n0.841674 0.723823 0.983342 O\n0.165062 0.233141 0.000709 O\n0.759977 0.378340 0.392871 O\n0.654670 0.962562 0.331369 F\n0.201005 0.887954 0.410145 F\n0.236419 0.635641 0.126767 F\n0.831833 0.959952 0.833844 F\n0.792815 0.525569 0.151965 F\n0.291862 0.888614 0.913069 F\n0.277922 0.633373 0.623672 F\n0.284328 0.486415 0.355668 F\n0.701077 0.521317 0.657391 F\n0.706863 0.122076 0.080070 F\n0.216020 0.481694 0.859389 F\n0.329571 0.255806 0.490153 F\n0.130611 0.041352 0.174425 F\n0.738390 0.354946 0.887156 F\n0.801938 0.117086 0.575946 F\n0.372945 0.040211 0.667488 F\n",
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"formula_full": "Li4 V4 O4 F16",
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{
"id": "mp-1143",
"created_at": "2022-09-04T14:47:28.577049Z",
"structure_string": "Al4 O6\n1.0\n4.586845 -2.402514 0.000000\n4.586845 2.402514 0.000000\n3.328448 0.000000 3.966441\nAl O\n4 6\ndirect\n0.147904 0.147904 0.147904 Al\n0.352096 0.352096 0.352096 Al\n0.647904 0.647904 0.647904 Al\n0.852096 0.852096 0.852096 Al\n0.556146 0.943854 0.250000 O\n0.750000 0.443854 0.056146 O\n0.250000 0.556146 0.943854 O\n0.943854 0.250000 0.556146 O\n0.056146 0.750000 0.443854 O\n0.443854 0.056146 0.750000 O\n",
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"formula_full": "Al4 O6",
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},
{
"id": "mp-1027112",
"created_at": "2022-09-04T14:47:17.008189Z",
"structure_string": "Mo1 W3 Se4 S4\n1.0\n1.627020 -2.818081 0.000000\n1.627020 2.818081 0.000000\n0.000000 0.000000 36.918776\nMo W Se S\n1 3 4 4\ndirect\n0.000000 0.000000 0.093918 Mo\n0.000000 0.000000 0.469658 W\n0.333333 0.666667 0.281792 W\n0.333333 0.666667 0.657544 W\n0.000000 0.000000 0.328075 Se\n0.000000 0.000000 0.703862 Se\n0.000000 0.000000 0.235493 Se\n0.000000 0.000000 0.611241 Se\n0.333333 0.666667 0.052035 S\n0.333333 0.666667 0.427706 S\n0.333333 0.666667 0.135805 S\n0.333333 0.666667 0.511619 S\n",
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{
"id": "mp-755073",
"created_at": "2022-09-04T14:47:33.919901Z",
"structure_string": "Cr4 O4\n1.0\n-2.022547 3.503154 1.291474\n0.844402 -1.462547 5.172109\n3.762004 2.171994 0.000001\nCr O\n4 4\ndirect\n0.400031 0.900000 0.500005 Cr\n0.400034 0.399999 0.999992 Cr\n0.900034 0.900000 0.000008 Cr\n0.900031 0.399997 0.499994 Cr\n0.650017 0.150001 0.247843 O\n0.150020 0.150001 0.747842 O\n0.650017 0.650001 0.252158 O\n0.150020 0.650001 0.752159 O\n",
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"formula_full": "Cr4 O4",
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"spacegroup": 131
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{
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"structure_string": "Na8 Be4 Si16 H32 O56\n1.0\n9.897373 0.000000 0.000000\n0.000000 10.225197 0.000000\n0.000000 0.000000 12.058484\nNa Be Si H O\n8 4 16 32 56\ndirect\n0.972643 0.695275 0.684986 Na\n0.527357 0.304725 0.184986 Na\n0.472643 0.804725 0.315014 Na\n0.027357 0.195275 0.815014 Na\n0.636712 0.756090 0.757693 Na\n0.863288 0.243910 0.257693 Na\n0.136712 0.743910 0.242307 Na\n0.363288 0.256090 0.742307 Na\n0.757719 0.763926 0.243874 Be\n0.742281 0.236074 0.743874 Be\n0.257719 0.736074 0.756126 Be\n0.242281 0.263926 0.256126 Be\n0.916283 0.854514 0.434280 Si\n0.583717 0.145486 0.934280 Si\n0.416283 0.645486 0.565720 Si\n0.083717 0.354514 0.065720 Si\n0.602092 0.863401 0.051819 Si\n0.897908 0.136599 0.551819 Si\n0.102092 0.636599 0.948181 Si\n0.397908 0.363401 0.448181 Si\n0.708291 0.651136 0.465695 Si\n0.791709 0.348864 0.965695 Si\n0.208291 0.848864 0.534305 Si\n0.291709 0.151136 0.034305 Si\n0.800803 0.648066 0.022168 Si\n0.699197 0.351934 0.522168 Si\n0.300803 0.851934 0.977832 Si\n0.199197 0.148066 0.477832 Si\n0.744838 0.493498 0.698615 H\n0.755162 0.506502 0.198615 H\n0.244838 0.006502 0.301385 H\n0.255162 0.993498 0.801385 H\n0.804735 0.536427 0.808672 H\n0.695265 0.463573 0.308672 H\n0.304734 0.963573 0.191328 H\n0.195265 0.036427 0.691328 H\n0.839582 0.963483 0.725456 H\n0.660418 0.036517 0.225456 H\n0.339582 0.536517 0.274544 H\n0.160418 0.463483 0.774544 H\n0.880089 0.899202 0.836064 H\n0.619911 0.100798 0.336064 H\n0.380089 0.600798 0.163936 H\n0.119911 0.399202 0.663936 H\n0.080145 0.536330 0.480981 H\n0.419855 0.463670 0.980981 H\n0.580145 0.963670 0.519019 H\n0.919855 0.036330 0.019019 H\n0.945706 0.497734 0.530993 H\n0.554294 0.502266 0.030993 H\n0.445706 0.002266 0.469007 H\n0.054294 0.997734 0.969007 H\n0.565825 0.024724 0.731682 H\n0.934175 0.975276 0.231682 H\n0.065825 0.475276 0.268318 H\n0.434175 0.524724 0.768318 H\n0.446834 0.922988 0.733922 H\n0.053166 0.077012 0.233922 H\n0.946834 0.577012 0.266078 H\n0.553166 0.422988 0.766078 H\n0.883202 0.841977 0.304205 O\n0.616798 0.158023 0.804205 O\n0.383202 0.658023 0.695795 O\n0.116798 0.341977 0.195795 O\n0.879049 0.997205 0.487235 O\n0.620951 0.002795 0.987235 O\n0.379049 0.502795 0.512765 O\n0.120951 0.497205 0.012765 O\n0.079288 0.826837 0.450503 O\n0.420712 0.173163 0.950503 O\n0.579288 0.673163 0.549497 O\n0.920712 0.326837 0.049497 O\n0.833510 0.744782 0.509944 O\n0.666490 0.255218 0.009944 O\n0.333510 0.755218 0.490056 O\n0.166490 0.244782 0.990056 O\n0.654817 0.865353 0.177852 O\n0.845183 0.134647 0.677852 O\n0.154817 0.634647 0.822148 O\n0.345183 0.365353 0.322148 O\n0.439599 0.826740 0.048959 O\n0.060401 0.173260 0.548959 O\n0.939599 0.673260 0.951041 O\n0.560401 0.326740 0.451041 O\n0.685434 0.752749 0.977299 O\n0.814566 0.247251 0.477299 O\n0.185434 0.747251 0.022701 O\n0.314566 0.252749 0.522701 O\n0.672545 0.683002 0.339403 O\n0.827455 0.316998 0.839403 O\n0.172545 0.816998 0.660597 O\n0.327455 0.183002 0.160597 O\n0.758534 0.497385 0.484218 O\n0.741466 0.502615 0.984218 O\n0.258534 0.002615 0.515782 O\n0.241466 0.997385 0.015782 O\n0.819814 0.655135 0.154492 O\n0.680186 0.344865 0.654492 O\n0.319814 0.844865 0.845508 O\n0.180186 0.155135 0.345508 O\n0.778315 0.573749 0.737306 O\n0.721685 0.426251 0.237306 O\n0.278315 0.926251 0.262694 O\n0.221685 0.073749 0.762694 O\n0.845272 0.876413 0.761903 O\n0.654728 0.123587 0.261903 O\n0.345272 0.623587 0.238097 O\n0.154728 0.376413 0.738097 O\n0.039617 0.515516 0.552943 O\n0.460383 0.484484 0.052943 O\n0.539617 0.984484 0.447057 O\n0.960383 0.015516 0.947057 O\n0.530519 0.944232 0.693978 O\n0.969481 0.055768 0.193978 O\n0.030519 0.555768 0.306022 O\n0.469481 0.444232 0.806022 O\n",
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{
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