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"id": "jvasp-119460",
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"structure_string": "K4 La4 F16\n1.0\n3.840310 -0.000000 0.000000\n0.000000 6.334715 0.000000\n-0.000000 -0.000000 15.568456\nK La F\n4 4 16\ndirect\n0.250000 0.723580 0.701689 K\n0.750000 0.276420 0.298312 K\n0.750000 0.776419 0.201688 K\n0.250000 0.223580 0.798312 K\n0.250000 0.251818 0.062779 La\n0.750000 0.748181 0.937221 La\n0.750000 0.248182 0.562779 La\n0.250000 0.751818 0.437221 La\n0.750000 0.413828 0.697885 F\n0.250000 0.586171 0.302115 F\n0.250000 0.005038 0.939778 F\n0.750000 0.994962 0.060222 F\n0.750000 0.494962 0.439778 F\n0.250000 0.505037 0.560222 F\n0.250000 0.139017 0.461300 F\n0.250000 0.101583 0.636884 F\n0.750000 0.360982 0.961300 F\n0.250000 0.639017 0.038701 F\n0.750000 0.913828 0.802115 F\n0.750000 0.898417 0.363116 F\n0.750000 0.398417 0.136884 F\n0.250000 0.601582 0.863117 F\n0.750000 0.860982 0.538701 F\n0.250000 0.086172 0.197885 F\n",
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{
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{
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"structure_string": "Er1 Mg2 Sc1\n1.0\n4.469806 -0.000000 2.580644\n1.489935 4.214174 2.580644\n-0.000000 -0.000000 5.161287\nEr Mg Sc\n1 2 1\ndirect\n0.500001 0.500000 0.499999 Er\n0.250001 0.250000 0.250000 Mg\n0.750002 0.749999 0.749999 Mg\n0.000000 0.000000 0.000000 Sc\n",
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{
"id": "jvasp-44653",
"created_at": "2022-09-04T14:38:10.277751Z",
"updated_at": "2022-09-04T14:38:10.277777Z",
"structure_string": "Li7 Ni5 O12\n1.0\n2.478023 -4.292988 -0.007934\n2.473344 4.289362 0.003968\n-0.804107 1.393055 9.371462\nLi Ni O\n7 5 12\ndirect\n0.997423 0.499909 0.007505 Li\n0.345121 0.173816 0.007819 Li\n0.154875 0.826136 0.492190 Li\n0.502487 0.499909 0.492496 Li\n0.828694 0.173815 0.492182 Li\n0.671260 0.826136 0.007810 Li\n0.749972 0.499944 0.250000 Li\n0.416624 0.833249 0.250000 Ni\n0.584622 0.169243 0.750000 Ni\n0.915461 0.830924 0.750000 Ni\n0.083317 0.166634 0.250000 Ni\n0.250044 0.500089 0.750000 Ni\n0.548117 0.829621 0.641120 O\n0.218774 0.170675 0.641109 O\n0.429869 0.142770 0.362561 O\n0.143507 0.499948 0.362633 O\n0.712899 0.142770 0.137440 O\n0.951899 0.170675 0.858891 O\n0.356441 0.499948 0.137367 O\n0.629649 0.499953 0.867597 O\n0.070066 0.857117 0.137429 O\n0.281502 0.829621 0.858881 O\n0.870303 0.499953 0.632403 O\n0.787050 0.857116 0.362572 O\n",
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{
"id": "jvasp-109746",
"created_at": "2022-09-04T14:38:03.686883Z",
"updated_at": "2022-09-04T14:38:03.686917Z",
"structure_string": "Ga2 Cu1 Ag1 S4\n1.0\n5.044293 0.022367 -4.277983\n-1.067768 4.930037 -4.277983\n-0.017959 -0.022367 6.614054\nGa Cu Ag S\n2 1 1 4\ndirect\n0.749999 0.250000 0.500000 Ga\n0.500000 0.500001 0.000001 Ga\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Ag\n0.648363 0.615277 0.498837 S\n0.116439 0.149526 0.501162 S\n0.850473 0.351637 0.966913 S\n0.384723 0.883561 0.033088 S\n",
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"created_at": "2022-09-04T14:36:31.777439Z",
"updated_at": "2022-09-04T14:36:31.777464Z",
"structure_string": "Na4 Co8 O16\n1.0\n4.894475 0.000000 0.000000\n-0.000000 5.650005 0.000000\n0.000000 0.000000 11.043256\nNa Co O\n4 8 16\ndirect\n0.969577 0.250000 0.750000 Na\n0.030422 0.749999 0.250000 Na\n0.353100 0.749999 0.750000 Na\n0.646899 0.250000 0.250000 Na\n0.002350 0.250000 0.003453 Co\n0.997649 0.749999 0.996547 Co\n0.997649 0.749999 0.503453 Co\n0.499999 0.000000 0.000000 Co\n0.499999 0.500000 0.500000 Co\n0.499999 0.500000 0.000000 Co\n0.499999 0.000000 0.500000 Co\n0.002350 0.250000 0.496547 Co\n0.663726 0.749999 0.588457 O\n0.663726 0.749999 0.911544 O\n0.833792 0.998344 0.410549 O\n0.329435 0.749999 0.084979 O\n0.329435 0.749999 0.415021 O\n0.670564 0.250000 0.915021 O\n0.670564 0.250000 0.584979 O\n0.833792 0.998344 0.089451 O\n0.833792 0.501655 0.410549 O\n0.166207 0.498344 0.910549 O\n0.166207 0.001656 0.589451 O\n0.166207 0.001656 0.910549 O\n0.166207 0.498344 0.589451 O\n0.833792 0.501655 0.089451 O\n0.336273 0.250000 0.088457 O\n0.336273 0.250000 0.411544 O\n",
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{
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"created_at": "2022-09-04T14:37:54.499053Z",
"updated_at": "2022-09-04T14:37:54.499081Z",
"structure_string": "Ba3 Yb1\n1.0\n6.018732 -0.000000 0.000000\n0.000000 6.018732 0.000000\n-0.000000 -0.000000 6.018732\nYb Ba\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n-0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n",
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{
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"created_at": "2022-09-04T14:37:44.763471Z",
"updated_at": "2022-09-04T14:37:44.763492Z",
"structure_string": "Mo3 W1 Se2 S6\n1.0\n3.223418 0.000000 0.000000\n-1.611709 2.791587 -0.000004\n0.000000 -0.000081 34.042421\nMo W Se S\n3 1 2 6\ndirect\n0.333306 0.666613 0.093382 Mo\n0.333337 0.666674 0.471944 Mo\n0.666678 0.333354 0.282679 Mo\n0.666683 0.333365 0.654908 W\n0.333347 0.666693 0.332935 Se\n0.333337 0.666675 0.232425 Se\n0.333345 0.666690 0.700842 S\n0.666643 0.333284 0.047700 S\n0.666672 0.333343 0.426207 S\n0.666640 0.333280 0.139124 S\n0.666672 0.333342 0.517660 S\n0.333347 0.666694 0.608940 S\n",
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{
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"created_at": "2022-09-04T14:38:09.750196Z",
"updated_at": "2022-09-04T14:38:09.750232Z",
"structure_string": "Ge4 N4 O2\n1.0\n5.172956 -0.000000 -0.000000\n-0.000000 4.933950 -2.481815\n0.000000 0.009194 5.522969\nGe N O\n4 4 2\ndirect\n0.382905 0.982248 0.330549 Ge\n0.882905 0.017751 0.669450 Ge\n0.882905 0.669450 0.017751 Ge\n0.382905 0.330549 0.982248 Ge\n0.233747 0.665787 0.074864 N\n0.733747 0.334212 0.925134 N\n0.733747 0.925135 0.334212 N\n0.233747 0.074864 0.665787 N\n0.294696 0.251678 0.251678 O\n0.794696 0.748321 0.748321 O\n",
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{
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"created_at": "2022-09-04T14:37:08.078128Z",
"updated_at": "2022-09-04T14:37:08.078163Z",
"structure_string": "Mn6 O5 F7\n1.0\n5.531789 0.003745 -0.013254\n1.705158 5.392553 -0.002147\n1.933444 1.464303 6.775890\nMn O F\n6 5 7\ndirect\n0.708291 0.673004 0.837693 Mn\n0.310838 0.366972 0.669100 Mn\n0.672630 0.616166 0.310500 Mn\n0.302606 0.336620 0.173038 Mn\n0.996332 0.996633 0.495539 Mn\n0.007180 0.007470 0.000995 Mn\n0.963746 0.330397 0.328850 O\n0.411477 0.430780 0.379172 O\n0.797536 0.767504 0.032969 O\n0.216380 0.248094 0.958484 O\n0.033720 0.666798 0.667614 O\n0.388279 0.936379 0.330904 F\n0.909988 0.865314 0.306551 F\n0.595285 0.569563 0.638457 F\n0.068973 0.120917 0.697205 F\n0.605763 0.056231 0.666192 F\n0.333820 0.715308 0.986163 F\n0.677153 0.295849 0.020574 F\n",
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{
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.891269 -0.027549 0.467870\n0.719490 4.699467 1.471990\n0.018553 0.011913 8.545450\nLi Mn Co O\n7 2 3 12\ndirect\n0.244846 0.419006 0.090502 Li\n0.748360 0.586940 0.912385 Li\n0.251353 0.747495 0.742010 Li\n0.235763 0.082409 0.419059 Li\n0.761101 0.249205 0.262298 Li\n0.762795 0.915138 0.573852 Li\n0.000450 0.658876 0.341318 Li\n0.999196 0.000241 0.000700 Mn\n0.499900 0.827105 0.175207 Mn\n0.000331 0.335218 0.663262 Co\n0.499847 0.500816 0.498059 Co\n0.499633 0.166358 0.832914 Co\n0.863089 0.657184 0.116171 O\n0.135620 0.037101 0.192580 O\n0.633690 0.186133 0.037244 O\n0.129398 0.350683 0.870272 O\n0.135827 0.680001 0.547001 O\n0.605942 0.862376 0.368642 O\n0.630224 0.509752 0.702840 O\n0.365804 0.812505 0.963268 O\n0.869601 0.980974 0.797296 O\n0.369599 0.154889 0.631922 O\n0.392670 0.480558 0.290564 O\n0.864957 0.299037 0.470637 O\n",
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"formula_full": "Li7 Mn2 Co3 O12",
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{
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]
}