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{
"id": "jvasp-118504",
"created_at": "2022-09-04T14:38:51.059760Z",
"updated_at": "2022-09-04T14:38:51.059790Z",
"structure_string": "Sr1 H1 Se1\n1.0\n5.025273 -0.000000 -0.000000\n-2.512636 4.352014 0.000000\n-0.000000 0.000000 5.092352\nSr H Se\n1 1 1\ndirect\n0.666665 0.333333 0.000000 Sr\n0.000000 0.000000 0.000000 H\n0.333332 0.666666 0.000000 Se\n",
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{
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"structure_string": "Mg16 Sc1 Al12\n1.0\n8.622988 0.010100 2.992685\n-4.286683 7.482003 2.992685\n-0.008907 -0.015390 8.962840\nMg Sc Al\n16 1 12\ndirect\n0.399664 0.399663 0.281656 Mg\n0.314390 0.605430 0.996959 Mg\n0.000553 0.318962 0.393649 Mg\n0.996286 0.335456 0.007752 Mg\n0.290230 0.684243 0.315605 Mg\n0.599645 0.001867 0.685202 Mg\n0.001867 0.599644 0.685202 Mg\n0.684244 0.290230 0.315605 Mg\n0.398856 0.714410 0.604053 Mg\n0.318962 0.000553 0.393649 Mg\n0.714410 0.398856 0.604053 Mg\n0.605430 0.314390 0.996959 Mg\n-0.000529 -0.000529 0.002526 Mg\n0.656774 0.656774 0.348896 Mg\n0.004889 0.004889 0.649809 Mg\n0.335456 0.996286 0.007752 Mg\n0.684839 0.684838 0.720655 Sc\n0.179230 0.364998 0.633617 Al\n0.822224 0.184741 0.811426 Al\n0.634126 0.000604 0.181514 Al\n0.000604 0.634125 0.181514 Al\n0.184741 0.822224 0.811426 Al\n0.184124 0.184124 0.180873 Al\n0.995588 0.810267 0.372900 Al\n0.812375 0.632713 0.997365 Al\n0.372924 0.372924 0.815491 Al\n0.810267 0.995588 0.372900 Al\n0.364998 0.179230 0.633617 Al\n0.632713 0.812374 0.997365 Al\n",
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{
"id": "jvasp-117460",
"created_at": "2022-09-04T14:38:51.056347Z",
"updated_at": "2022-09-04T14:38:51.056375Z",
"structure_string": "Ba1 B1 O2\n1.0\n3.646224 -0.000000 0.000000\n0.000000 3.646224 0.000000\n-0.000000 -0.000000 5.039737\nBa B O\n1 1 2\ndirect\n0.500000 0.500000 0.546200 Ba\n0.000000 0.000000 0.088023 B\n0.000000 0.000000 0.344534 O\n0.500000 0.500000 0.031243 O\n",
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{
"id": "jvasp-118450",
"created_at": "2022-09-04T14:38:51.052168Z",
"updated_at": "2022-09-04T14:38:51.052183Z",
"structure_string": "La2 H2 O2\n1.0\n4.107251 0.000000 0.000000\n0.000000 4.107251 -0.000000\n0.000000 0.000000 5.731434\nLa H O\n2 2 2\ndirect\n0.500000 0.000000 0.715422 La\n0.000000 0.500000 0.284577 La\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 6,
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{
"id": "jvasp-120150",
"created_at": "2022-09-04T14:38:51.049862Z",
"updated_at": "2022-09-04T14:38:51.049884Z",
"structure_string": "Na1 Hf1 F3\n1.0\n4.267144 0.000000 0.000000\n-0.000000 4.267144 0.000000\n0.000000 -0.000000 4.267144\nNa Hf F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.499999 0.499999 0.499999 Hf\n0.000000 0.499999 0.499999 F\n0.499999 0.000000 0.499999 F\n0.499999 0.499999 0.000000 F\n",
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{
"id": "jvasp-111940",
"created_at": "2022-09-04T14:38:51.049670Z",
"updated_at": "2022-09-04T14:38:51.049700Z",
"structure_string": "Nb2 Fe2 O8\n1.0\n5.522172 -0.000000 0.000000\n-0.000001 4.838619 2.660898\n0.000000 0.007514 5.716367\nNb Fe O\n2 2 8\ndirect\n0.000014 -0.000000 0.000000 Nb\n0.500011 0.500000 0.000000 Nb\n0.749987 0.500000 0.500000 Fe\n0.249987 -0.000000 0.500000 Fe\n0.250007 0.211401 0.077191 O\n0.750007 0.711396 0.077202 O\n0.250007 0.788598 0.922810 O\n0.750007 0.288604 0.922799 O\n0.499991 0.296649 0.406700 O\n-0.000004 0.796647 0.406701 O\n-0.000004 0.203351 0.593300 O\n0.499991 0.703350 0.593300 O\n",
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"density_atomic": 0.07862195467329137,
"volume": 152.6291231229909,
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{
"id": "jvasp-119524",
"created_at": "2022-09-04T14:38:51.049017Z",
"updated_at": "2022-09-04T14:38:51.049041Z",
"structure_string": "Ba4 Y2 Mn6 O14\n1.0\n5.549571 0.000135 -0.095787\n2.843000 11.535273 2.726322\n0.136759 0.000131 5.548713\nBa Y Mn O\n4 2 6 14\ndirect\n0.587461 0.825078 0.087465 Ba\n0.087464 0.825078 0.587462 Ba\n0.912539 0.174914 0.412542 Ba\n0.412544 0.174914 0.912538 Ba\n0.749999 0.499998 0.250001 Y\n0.250003 0.499998 0.749998 Y\n0.325522 0.348941 0.325520 Mn\n0.674481 0.651051 0.674481 Mn\n0.173049 0.653907 0.173050 Mn\n0.826945 0.346105 0.826942 Mn\n0.500001 -0.000002 0.500001 Mn\n0.000001 -0.000001 0.000002 Mn\n0.584030 0.831958 0.584031 O\n0.083019 0.833954 0.083021 O\n0.061846 0.377050 0.561086 O\n0.561089 0.377050 0.061844 O\n0.438911 0.622957 0.938145 O\n0.938145 0.622957 0.438912 O\n0.750133 -0.000004 0.249873 O\n0.561562 0.375754 0.561560 O\n0.438431 0.624256 0.438431 O\n0.937326 0.624256 0.937326 O\n0.249872 -0.000005 0.750134 O\n0.916984 0.166045 0.916982 O\n0.062670 0.375755 0.062667 O\n0.415973 0.168032 0.415972 O\n",
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"formula_full": "Ba4 Y2 Mn6 O14",
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{
"id": "jvasp-122533",
"created_at": "2022-09-04T14:38:51.047151Z",
"updated_at": "2022-09-04T14:38:51.047176Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n5.032920 -0.000000 0.000000\n0.000000 6.630192 0.000000\n-0.000000 -0.000000 10.301114\nLi Fe Si O\n4 4 4 16\ndirect\n0.244900 0.003671 0.153452 Li\n0.744900 0.503670 0.346548 Li\n0.244900 0.496329 0.653452 Li\n0.744900 0.996329 0.846548 Li\n0.247486 0.504407 0.169348 Fe\n0.747486 0.004407 0.330652 Fe\n0.247486 0.995592 0.669348 Fe\n0.747486 0.495592 0.830651 Fe\n0.249279 0.739111 0.910226 Si\n0.749279 0.239111 0.589774 Si\n0.249279 0.760889 0.410226 Si\n0.749279 0.260889 0.089774 Si\n0.131990 0.945230 0.841754 O\n0.115869 0.544574 0.834605 O\n0.615869 0.044574 0.665394 O\n0.631990 0.445230 0.658245 O\n0.072630 0.232017 0.616058 O\n0.183700 0.762199 0.566003 O\n0.683700 0.237800 0.433996 O\n0.072630 0.267983 0.116058 O\n0.131990 0.554770 0.341754 O\n0.115869 0.955426 0.334605 O\n0.615869 0.455426 0.165395 O\n0.631990 0.054770 0.158246 O\n0.572630 0.732017 0.883942 O\n0.183700 0.737800 0.066003 O\n0.572630 0.767983 0.383942 O\n0.683700 0.262200 0.933996 O\n",
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"formula_full": "Li4 Fe4 Si4 O16",
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{
"id": "jvasp-118243",
"created_at": "2022-09-04T14:38:51.045981Z",
"updated_at": "2022-09-04T14:38:51.046009Z",
"structure_string": "Sn1 I1 F2\n1.0\n4.215591 0.000000 0.000000\n0.000000 4.215591 -0.000000\n0.000000 0.000000 4.932163\nSn I F\n1 1 2\ndirect\n0.500001 0.500001 0.424753 Sn\n0.000000 0.000000 0.118676 I\n0.000000 0.000000 0.624563 F\n0.500001 0.500001 0.842007 F\n",
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{
"id": "jvasp-119103",
"created_at": "2022-09-04T14:38:51.040646Z",
"updated_at": "2022-09-04T14:38:51.040679Z",
"structure_string": "Fe2 P2 H6 C2 O14\n1.0\n4.771358 0.069725 -1.493913\n-1.882365 7.316630 -0.843892\n0.067134 0.054965 7.596826\nFe P H C O\n2 2 6 2 14\ndirect\n0.466263 0.700097 0.743188 Fe\n0.533736 0.299903 0.256813 Fe\n0.856458 0.713383 0.452124 P\n0.143540 0.286617 0.547876 P\n0.041178 0.328549 0.040441 H\n0.756291 0.602771 0.080825 H\n0.958821 0.671451 0.959560 H\n0.247059 0.017769 0.602809 H\n0.752939 0.982231 0.397192 H\n0.243707 0.397230 0.919176 H\n0.625733 0.052799 0.973943 C\n0.374265 0.947201 0.026058 C\n0.273408 0.146664 0.665092 O\n0.293116 0.029112 0.146764 O\n0.706882 0.970888 0.853236 O\n0.199063 0.457415 0.694131 O\n0.800936 0.542585 0.305870 O\n0.726591 0.853337 0.334909 O\n0.706273 0.670998 0.597103 O\n0.270108 0.783961 0.940603 O\n0.242767 0.383845 0.047436 O\n0.757232 0.616155 0.952565 O\n0.293726 0.329003 0.402898 O\n0.181897 0.795552 0.549255 O\n0.729891 0.216039 0.059398 O\n0.818102 0.204448 0.450746 O\n",
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{
"id": "jvasp-118192",
"created_at": "2022-09-04T14:38:51.039988Z",
"updated_at": "2022-09-04T14:38:51.040004Z",
"structure_string": "Al1 As2\n1.0\n4.085122 0.000000 0.000000\n0.000000 2.809179 0.000000\n0.000000 0.000000 5.854099\nAl As\n1 2\ndirect\n0.466674 0.000000 0.000000 Al\n-0.033337 0.000000 0.721190 As\n-0.033337 0.000000 0.278811 As\n",
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{
"id": "jvasp-119004",
"created_at": "2022-09-04T14:38:51.039452Z",
"updated_at": "2022-09-04T14:38:51.039476Z",
"structure_string": "Li4 Fe3 Ni2 Sb3 O16\n1.0\n5.969305 -0.012818 0.065823\n2.980334 5.172076 0.065823\n0.019411 0.011190 9.419071\nLi Fe Ni Sb O\n4 3 2 3 16\ndirect\n0.660737 0.660738 0.142835 Li\n0.883078 0.883080 0.037624 Li\n0.986061 0.986063 0.493365 Li\n0.339297 0.339297 0.600292 Li\n0.837799 0.837801 0.780870 Fe\n0.172151 0.669170 0.283879 Fe\n0.669169 0.172151 0.283879 Fe\n0.674431 0.674433 0.499341 Ni\n0.347448 0.347449 0.012184 Ni\n0.173459 0.173459 0.277823 Sb\n0.341503 0.840642 0.790988 Sb\n0.840641 0.341504 0.790988 Sb\n0.173109 0.173109 0.902598 O\n0.151363 0.689172 0.894677 O\n0.340176 0.340177 0.390244 O\n0.504968 0.036003 0.158858 O\n0.036003 0.504968 0.158858 O\n0.840762 0.840764 0.382001 O\n0.970670 0.528877 0.664932 O\n0.519856 0.519858 0.664146 O\n0.835960 0.319044 0.393833 O\n0.000200 0.000200 0.179569 O\n0.002493 0.002493 0.680063 O\n0.679869 0.679870 0.904172 O\n0.481737 0.481738 0.170697 O\n0.319044 0.835961 0.393833 O\n0.528875 0.970671 0.664932 O\n0.689171 0.151363 0.894677 O\n",
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]
}