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{
"id": "jvasp-98245",
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"structure_string": "Sb4 S4 Br12 F24\n1.0\n7.852883 0.000000 -1.134879\n0.000000 9.421543 0.000000\n-0.163337 0.000000 12.305734\nSb S Br F\n4 4 12 24\ndirect\n0.198966 0.270113 0.569104 Sb\n0.198966 0.229887 0.069104 Sb\n0.801033 0.770113 0.930895 Sb\n0.801033 0.729887 0.430896 Sb\n0.200331 0.805586 0.207992 S\n0.200331 0.694413 0.707991 S\n0.799668 0.194413 0.792008 S\n0.799668 0.305586 0.292008 S\n0.425827 0.687327 0.622703 Br\n0.726672 0.060176 0.645205 Br\n0.795352 0.088505 0.228410 Br\n0.795352 0.411495 0.728410 Br\n0.574172 0.312673 0.377296 Br\n0.204647 0.911495 0.771590 Br\n0.273327 0.939824 0.354795 Br\n0.204647 0.588505 0.271590 Br\n0.574172 0.187327 0.877296 Br\n0.726673 0.439824 0.145205 Br\n0.425828 0.812673 0.122703 Br\n0.273327 0.560176 0.854794 Br\n0.135589 0.295055 0.205338 F\n-0.016508 0.206180 0.491365 F\n0.105459 0.046963 0.094198 F\n0.016507 0.793820 0.508635 F\n-0.016508 0.293820 0.991365 F\n0.864411 0.704945 0.794661 F\n0.701412 0.911849 0.455488 F\n0.582660 0.669310 0.356874 F\n0.258559 0.161450 0.932095 F\n0.864411 0.795055 0.294661 F\n0.417339 0.330690 0.643126 F\n0.417339 0.169310 0.143126 F\n0.701412 0.588151 0.955488 F\n0.741440 0.661450 0.567904 F\n0.582660 0.830690 0.856873 F\n0.298588 0.411849 0.044512 F\n0.298588 0.088151 0.544512 F\n0.016507 0.706180 0.008635 F\n0.741440 0.838549 0.067904 F\n0.894541 0.546963 0.405802 F\n0.105459 0.453037 0.594198 F\n0.894540 0.953037 0.905802 F\n0.258559 0.338549 0.432095 F\n0.135588 0.204945 0.705338 F\n",
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{
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"structure_string": "Mg1 Be1 Br2\n1.0\n4.926720 -0.000000 0.000000\n0.000000 4.926720 -0.000000\n-0.000000 -0.000000 3.561439\nMg Be Br\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Be\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
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},
{
"id": "jvasp-58316",
"created_at": "2022-09-04T14:37:36.403122Z",
"updated_at": "2022-09-04T14:37:36.403143Z",
"structure_string": "Mg2 Si2 O6\n1.0\n4.271155 0.003389 3.169123\n1.596650 3.961501 3.169123\n0.005016 0.003389 5.318466\nMg Si O\n2 2 6\ndirect\n0.359811 0.359811 0.359810 Mg\n0.640190 0.640190 0.640188 Mg\n0.157246 0.157246 0.157246 Si\n0.842756 0.842754 0.842753 Si\n0.045703 0.794777 0.437874 O\n0.794778 0.437875 0.045701 O\n0.437876 0.045702 0.794777 O\n0.954299 0.205223 0.562124 O\n0.562126 0.954298 0.205221 O\n0.205224 0.562126 0.954297 O\n",
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{
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"updated_at": "2022-09-04T14:37:43.737557Z",
"structure_string": "Li2 Pr1 Al1\n1.0\n-0.000002 3.439195 3.439193\n3.439197 -0.000007 3.439198\n3.439199 3.439201 -0.000008\nLi Pr Al\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.500000 0.500001 Li\n0.750000 0.750001 0.750002 Pr\n0.250000 0.250000 0.250000 Al\n",
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{
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"structure_string": "La2 Mg4\n1.0\n5.362280 -0.000000 3.095914\n1.787427 5.055606 3.095914\n-0.000000 -0.000000 6.191828\nLa Mg\n2 4\ndirect\n0.125000 0.125000 0.125000 La\n0.875000 0.875001 0.874999 La\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.499999 Mg\n0.500000 0.500000 -0.000001 Mg\n",
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{
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"created_at": "2022-09-04T14:35:44.722011Z",
"updated_at": "2022-09-04T14:35:44.722031Z",
"structure_string": "V4 Co2 P4 O20\n1.0\n6.347897 0.000000 0.000362\n0.000000 7.263762 0.000000\n0.056077 0.000000 7.430300\nV Co P O\n4 2 4 20\ndirect\n0.253923 0.776705 0.666915 V\n0.253923 0.723295 0.166915 V\n0.746078 0.223294 0.333084 V\n0.746079 0.276705 0.833085 V\n0.000000 0.000000 0.000000 Co\n1.000000 0.500000 0.500000 Co\n0.253023 0.123422 0.373599 P\n0.746978 0.623422 0.126400 P\n0.746978 0.876577 0.626400 P\n0.253024 0.376578 0.873600 P\n0.228579 0.505058 0.707187 O\n0.256584 0.490612 0.047119 O\n0.771422 0.494941 0.292813 O\n0.228579 0.994942 0.207187 O\n0.743417 0.990611 0.452881 O\n0.940452 0.745584 0.624907 O\n0.224726 0.846176 0.882196 O\n0.224724 0.653823 0.382197 O\n0.775277 0.153824 0.117803 O\n0.743417 0.509389 0.952882 O\n0.256585 0.009388 0.547118 O\n0.448200 0.252985 0.857164 O\n0.551802 0.752985 0.642835 O\n0.551800 0.747014 0.142835 O\n0.448200 0.247015 0.357165 O\n0.940451 0.754417 0.124906 O\n0.059550 0.254416 0.375094 O\n0.059550 0.245584 0.875093 O\n0.775276 0.346176 0.617802 O\n0.771422 0.005058 0.792812 O\n",
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"formula_full": "V4 Co2 P4 O20",
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{
"id": "jvasp-87136",
"created_at": "2022-09-04T14:36:08.203164Z",
"updated_at": "2022-09-04T14:36:08.203189Z",
"structure_string": "Mg4 Si8 O20\n1.0\n5.364399 0.000000 0.018543\n0.000000 6.970396 0.000000\n-0.029446 0.000000 7.682819\nMg Si O\n4 8 20\ndirect\n0.000090 0.847549 0.655915 Mg\n0.999909 0.347549 0.844085 Mg\n0.999909 0.152451 0.344085 Mg\n0.000091 0.652452 0.155914 Mg\n0.754986 0.000090 0.000023 Si\n0.245014 0.999910 0.999976 Si\n0.754986 0.499910 0.500023 Si\n0.245014 0.500091 0.499976 Si\n0.499924 0.114630 0.647221 Si\n0.499924 0.385370 0.147221 Si\n0.500076 0.885370 0.352778 Si\n0.500075 0.614630 0.852778 Si\n0.287483 0.000229 0.499632 O\n0.499857 0.153215 0.078802 O\n0.500143 0.653215 0.421198 O\n0.000139 0.152834 0.067936 O\n0.999861 0.652834 0.432064 O\n0.999860 0.847167 0.932064 O\n0.000139 0.347166 0.567936 O\n0.712516 0.500230 0.000368 O\n0.287483 0.499771 0.999632 O\n0.738513 0.619126 0.702458 O\n0.261893 0.880198 0.202115 O\n0.738107 0.380198 0.297884 O\n0.738107 0.119802 0.797885 O\n0.261892 0.619802 0.702115 O\n0.499857 0.346786 0.578802 O\n0.261486 0.119125 0.797542 O\n0.261487 0.380875 0.297542 O\n0.738513 0.880875 0.202458 O\n0.712516 0.999771 0.500368 O\n0.500142 0.846786 0.921198 O\n",
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{
"id": "jvasp-98206",
"created_at": "2022-09-04T14:35:46.264361Z",
"updated_at": "2022-09-04T14:35:46.264387Z",
"structure_string": "Ca4 Mn2 Al2 O10\n1.0\n5.042428 0.000000 -1.655469\n-0.597441 5.254425 -1.819758\n-0.083073 -0.127085 8.254118\nCa Mn Al O\n4 2 2 10\ndirect\n0.618398 0.079671 0.219831 Ca\n0.898567 0.359841 0.780172 Ca\n0.398567 0.920329 0.780169 Ca\n0.118394 0.640159 0.219828 Ca\n0.997975 -0.000000 -0.000000 Mn\n0.497973 0.500000 -0.000000 Mn\n0.788715 0.675946 0.499998 Al\n0.288717 0.324054 0.500002 Al\n0.735718 0.731709 0.971866 O\n0.623024 0.393424 0.500003 O\n0.235718 0.740154 0.971867 O\n0.820101 0.924759 0.706344 O\n0.113757 0.075241 0.293656 O\n0.320111 0.281600 0.706357 O\n0.613753 0.718400 0.293643 O\n0.123021 0.606576 0.499997 O\n0.263851 0.259846 0.028133 O\n0.763851 0.268291 0.028134 O\n",
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{
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"created_at": "2022-09-04T14:36:32.972047Z",
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"structure_string": "Ce1 Mg3\n1.0\n3.146939 -0.000000 -0.000000\n-1.573469 2.725329 0.000000\n0.000000 -0.000000 11.116368\nCe Mg\n1 3\ndirect\n0.333333 0.666667 0.500000 Ce\n0.333333 0.666667 0.000000 Mg\n0.000000 0.000000 0.763823 Mg\n0.000000 0.000000 0.236177 Mg\n",
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"structure_string": "Zr4 P4 O18\n1.0\n6.116397 -0.000000 2.680880\n2.990866 6.881353 1.494059\n0.021281 0.030340 8.269132\nZr P O\n4 4 18\ndirect\n0.942628 0.213270 0.901474 Zr\n0.057373 0.786729 0.098526 Zr\n0.316301 0.731763 0.635636 Zr\n0.683700 0.268236 0.364363 Zr\n0.408451 0.344904 0.838195 P\n0.170958 0.204831 0.453253 P\n0.591550 0.655096 0.161805 P\n0.829043 0.795168 0.546747 P\n0.273524 0.980077 0.472875 O\n0.620589 0.238225 0.897282 O\n0.624763 0.725755 0.645796 O\n0.885406 0.071902 0.157287 O\n0.966056 0.707354 0.360534 O\n0.033945 0.292645 0.639465 O\n0.726477 0.019922 0.527124 O\n0.484440 0.396245 0.634876 O\n0.375238 0.274245 0.354204 O\n0.267468 0.557947 0.907118 O\n0.003687 0.725755 0.645796 O\n0.379412 0.761775 0.102718 O\n0.243904 0.238225 0.897282 O\n0.515561 0.603754 0.365123 O\n0.756097 0.761775 0.102718 O\n0.996314 0.274245 0.354203 O\n0.732533 0.442053 0.092882 O\n0.114595 0.928097 0.842713 O\n",
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{
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{
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"updated_at": "2022-09-04T14:38:05.084136Z",
"structure_string": "Na8 Zn4 Se8\n1.0\n0.000000 7.172996 0.014435\n7.373204 0.000000 0.000000\n0.000000 -0.483773 -9.114575\nNa Zn Se\n8 4 8\ndirect\n0.539996 0.684064 0.676740 Na\n0.960005 0.184065 0.323261 Na\n0.460005 0.315935 0.323261 Na\n0.039996 0.815935 0.676740 Na\n0.512210 0.765013 0.058480 Na\n0.987792 0.265013 0.941522 Na\n0.487792 0.234986 0.941521 Na\n0.012209 0.734986 0.058480 Na\n0.342341 0.906792 0.371674 Zn\n0.157660 0.406793 0.628327 Zn\n0.657660 0.093207 0.628327 Zn\n0.842341 0.593207 0.371674 Zn\n0.299886 0.101732 0.599235 Se\n0.200114 0.601731 0.400766 Se\n0.700115 0.898268 0.400766 Se\n0.799887 0.398268 0.599235 Se\n0.244544 0.046500 0.140631 Se\n0.255457 0.546499 0.859370 Se\n0.755458 0.953500 0.859370 Se\n0.744544 0.453500 0.140631 Se\n",
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}
]
}