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"id": "jvasp-18794",
"created_at": "2022-09-04T14:36:42.331994Z",
"updated_at": "2022-09-04T14:36:42.332015Z",
"structure_string": "Sr2 Tl4\n1.0\n2.581473 -4.471243 0.000000\n2.581473 4.471243 0.000000\n-0.000000 -0.000000 8.294453\nSr Tl\n2 4\ndirect\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.750000 Sr\n0.333333 0.666666 0.451116 Tl\n0.666666 0.333333 0.951116 Tl\n0.666666 0.333333 0.548884 Tl\n0.333333 0.666666 0.048884 Tl\n",
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{
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"structure_string": "Na1 Mg7\n1.0\n6.506155 0.000000 -0.000000\n-3.253078 5.634495 0.000000\n0.000000 0.000000 5.223055\nNa Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Na\n0.168765 0.834382 0.250000 Mg\n0.665618 0.331235 0.250000 Mg\n0.665617 0.834382 0.250000 Mg\n0.335585 0.164415 0.750001 Mg\n0.335585 0.671171 0.750001 Mg\n0.828829 0.164415 0.750001 Mg\n0.833333 0.666666 0.750001 Mg\n",
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{
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"structure_string": "Rb2 Na1 Hg1\n1.0\n-15.159398 4.229011 -1.846334\n-10.961847 1.135321 1.989965\n-9.095614 6.413821 -1.242443\nRb Na Hg\n2 1 1\ndirect\n0.749658 0.000263 0.000262 Rb\n0.250341 -0.000262 -0.000262 Rb\n0.000000 0.000000 0.000000 Na\n0.500000 0.000001 0.000000 Hg\n",
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{
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"updated_at": "2022-09-04T14:36:36.425058Z",
"structure_string": "Pr4 Mg2\n1.0\n8.990244 0.006311 0.000000\n-8.168546 3.754912 -0.000000\n0.000000 0.000000 5.663249\nPr Mg\n4 2\ndirect\n0.086803 0.913196 0.250000 Pr\n0.771607 0.228391 0.250000 Pr\n0.913196 0.086803 0.750000 Pr\n0.228391 0.771608 0.750000 Pr\n0.430586 0.569413 0.250000 Mg\n0.569413 0.430586 0.750000 Mg\n",
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"elements": [
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"volume": 191.46950338429374,
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{
"id": "jvasp-117223",
"created_at": "2022-09-04T14:38:48.771121Z",
"updated_at": "2022-09-04T14:38:48.771148Z",
"structure_string": "Ca2 Ti2 Si1 Ge1 O10\n1.0\n5.364429 -0.013955 1.342773\n-1.916062 5.010589 1.342773\n-0.012341 -0.017882 7.120537\nCa Ti Si Ge O\n2 2 1 1 10\ndirect\n0.827799 0.172200 0.500000 Ca\n0.171805 0.828195 -0.000000 Ca\n0.499202 0.504029 0.746351 Ti\n0.495971 0.500798 0.253649 Ti\n0.179831 0.820170 0.500000 Si\n0.817018 0.182981 -0.000000 Ge\n0.386150 0.812565 0.633838 O\n0.187435 0.613851 0.366162 O\n0.597249 0.181173 0.856292 O\n0.818827 0.402750 0.143708 O\n0.755239 0.868326 0.177024 O\n0.131674 0.244761 0.822976 O\n0.250708 0.120864 0.340359 O\n0.879136 0.749292 0.659640 O\n0.431998 0.568002 -0.000000 O\n0.569964 0.430036 0.500000 O\n",
"nsites": 16,
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"elements": [
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],
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"spacegroup": 5
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{
"id": "jvasp-123779",
"created_at": "2022-09-04T14:38:54.492615Z",
"updated_at": "2022-09-04T14:38:54.492644Z",
"structure_string": "Ag1 Bi5\n1.0\n2.268409 -3.929009 -0.000000\n2.268409 3.929009 0.000000\n0.000000 0.000000 10.740453\nAg Bi\n1 5\ndirect\n0.000000 0.000000 0.249979 Ag\n0.666667 0.333334 0.114676 Bi\n0.666667 0.333334 0.569539 Bi\n0.333334 0.666667 0.385367 Bi\n0.333334 0.666667 0.930435 Bi\n0.000000 0.000000 0.750003 Bi\n",
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"elements": [
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"density": 9.99850017610278,
"density_atomic": 0.03133965926783179,
"volume": 191.4507094261432,
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"formula_full": "Ag1 Bi5",
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{
"id": "jvasp-38334",
"created_at": "2022-09-04T14:37:40.959779Z",
"updated_at": "2022-09-04T14:37:40.959801Z",
"structure_string": "Rb1 Ca3\n1.0\n-0.000000 4.574340 4.574340\n4.574340 -0.000000 4.574340\n4.574340 4.574340 -0.000000\nRb Ca\n1 3\ndirect\n0.749999 0.749999 0.749999 Rb\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.249999 0.249999 0.249999 Ca\n",
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"formula_full": "Rb1 Ca3",
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"spacegroup": 225
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{
"id": "jvasp-23428",
"created_at": "2022-09-04T14:37:36.929836Z",
"updated_at": "2022-09-04T14:37:36.929863Z",
"structure_string": "Pu4 B16\n1.0\n6.982364 -0.000000 -0.000000\n0.000000 6.982364 -0.000000\n-0.000000 -0.000000 3.926482\nPu B\n4 16\ndirect\n0.189866 0.689866 0.000000 Pu\n0.689866 0.810134 0.000000 Pu\n0.310134 0.189866 0.000000 Pu\n0.810134 0.310134 0.000000 Pu\n0.179416 0.961390 0.500000 B\n0.038610 0.179416 0.500000 B\n0.413529 0.913529 0.500000 B\n0.913529 0.586470 0.500000 B\n0.086471 0.413529 0.500000 B\n0.586470 0.086471 0.500000 B\n0.500000 0.500000 0.200429 B\n0.500000 0.500000 0.799570 B\n0.820584 0.038610 0.500000 B\n0.000000 0.000000 0.200429 B\n0.461390 0.679415 0.500000 B\n0.538609 0.320584 0.500000 B\n0.679415 0.538609 0.500000 B\n0.320584 0.461390 0.500000 B\n0.000000 0.000000 0.799570 B\n0.961390 0.820584 0.500000 B\n",
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"volume": 191.42937513606302,
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"formula_full": "Pu4 B16",
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{
"id": "jvasp-116698",
"created_at": "2022-09-04T14:38:44.294293Z",
"updated_at": "2022-09-04T14:38:44.294310Z",
"structure_string": "Hf4 Al4 Cu4\n1.0\n5.140927 0.001499 0.000000\n-2.481567 4.502328 0.000000\n0.000000 -0.000000 8.268868\nHf Al Cu\n4 4 4\ndirect\n0.666836 0.333165 0.303700 Hf\n0.335375 0.664626 0.181451 Hf\n0.335375 0.664626 0.818549 Hf\n0.666836 0.333165 0.696300 Hf\n0.004771 0.995229 0.238096 Al\n0.004771 0.995229 0.761904 Al\n0.650274 0.834220 0.500000 Al\n0.165781 0.349727 0.500000 Al\n0.164422 0.835578 0.500000 Cu\n0.348414 0.172572 -0.000000 Cu\n0.827428 0.651587 -0.000000 Cu\n0.829570 0.170431 -0.000000 Cu\n",
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"density": 9.334590397972024,
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"volume": 191.42313198570503,
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"formula_full": "Hf4 Al4 Cu4",
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{
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"created_at": "2022-09-04T14:37:37.646412Z",
"updated_at": "2022-09-04T14:37:37.646440Z",
"structure_string": "Mg2 Ag4 O8\n1.0\n5.210995 -0.000000 -2.735839\n-1.436350 5.009129 -2.735839\n0.298823 0.396551 6.899824\nMg Ag O\n2 4 8\ndirect\n0.374999 0.625000 0.749999 Mg\n0.624999 0.375000 0.249999 Mg\n-0.000000 -0.000000 0.500000 Ag\n0.000000 0.500000 -0.000000 Ag\n0.499999 -0.000000 0.499999 Ag\n0.000000 0.000000 0.000000 Ag\n0.734890 0.752568 0.469782 O\n0.782785 0.265109 0.030217 O\n0.247432 0.265109 0.030217 O\n0.265108 0.247433 0.530217 O\n0.265108 0.782786 0.530217 O\n0.217214 0.734891 -0.030218 O\n0.734890 0.217214 0.469782 O\n0.752567 0.734891 -0.030218 O\n",
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"spacegroup": 141
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{
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"created_at": "2022-09-04T14:38:14.181363Z",
"updated_at": "2022-09-04T14:38:14.181376Z",
"structure_string": "Bi4 O8\n1.0\n6.202631 -0.637962 0.816836\n2.548824 5.690598 0.816830\n3.584088 2.069264 5.852841\nBi O\n4 8\ndirect\n0.124986 0.124986 0.875018 Bi\n0.125014 0.125014 0.374982 Bi\n0.624999 0.625000 0.125000 Bi\n0.625000 0.625000 0.625000 Bi\n0.317179 0.317180 0.432815 O\n0.432797 0.817198 0.374987 O\n0.317170 0.317170 0.932841 O\n0.817198 0.432798 0.374988 O\n0.432802 0.817202 0.875013 O\n0.817202 0.432801 0.875013 O\n0.932829 0.932830 0.317160 O\n0.932820 0.932820 0.817186 O\n",
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{
"id": "jvasp-46047",
"created_at": "2022-09-04T14:38:10.965304Z",
"updated_at": "2022-09-04T14:38:10.965329Z",
"structure_string": "Li8 B4 O10\n1.0\n4.883961 0.043999 -0.033915\n1.875201 6.656542 -0.106514\n2.383953 2.839550 5.845890\nLi B O\n8 4 10\ndirect\n0.976204 0.425695 0.204204 Li\n0.511292 0.686341 0.974895 Li\n0.793659 0.329342 0.663020 Li\n0.015360 0.031184 0.306696 Li\n0.984639 0.968816 0.693304 Li\n0.206341 0.670657 0.336980 Li\n0.488708 0.313659 0.025105 Li\n0.023795 0.574305 0.795795 Li\n0.883794 0.860942 0.083273 B\n0.453083 0.275153 0.467332 B\n0.116206 0.139058 0.916727 B\n0.546916 0.724847 0.532668 B\n0.212204 0.228698 0.660160 O\n0.741087 0.201547 0.483832 O\n0.787796 0.771302 0.339840 O\n0.133949 0.277029 0.006952 O\n0.625221 0.586499 0.734613 O\n0.791316 0.102608 0.962623 O\n0.208684 0.897392 0.037376 O\n0.374778 0.413500 0.265386 O\n0.866051 0.722971 0.993048 O\n0.258912 0.798453 0.516168 O\n",
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}
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}