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{
"id": "jvasp-92670",
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{
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{
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{
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"created_at": "2022-09-04T14:36:21.481165Z",
"updated_at": "2022-09-04T14:36:21.481180Z",
"structure_string": "Ba3 Zr2 S7\n1.0\n4.921620 0.000000 -0.946609\n-0.182068 4.918251 -0.946609\n0.018140 0.018824 13.361886\nBa Zr S\n3 2 7\ndirect\n0.818874 0.818874 0.637750 Ba\n0.181125 0.181125 0.362250 Ba\n0.000000 0.000000 0.000000 Ba\n0.600088 0.600088 0.200175 Zr\n0.399913 0.399912 0.799825 Zr\n0.500000 0.500000 -0.000000 S\n0.698305 0.698305 0.396611 S\n0.301694 0.301694 0.603389 S\n0.595880 0.095880 0.191759 S\n0.095880 0.595880 0.191759 S\n0.904120 0.404119 0.808241 S\n0.404119 0.904119 0.808241 S\n",
"nsites": 12,
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"elements": [
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{
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"created_at": "2022-09-04T14:35:41.981847Z",
"updated_at": "2022-09-04T14:35:41.981870Z",
"structure_string": "Y1 Mg1\n1.0\n3.778347 -0.000000 0.000000\n-0.000000 3.778347 -0.000000\n-0.000000 -0.000000 3.778347\nY Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Mg\n",
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{
"id": "jvasp-79176",
"created_at": "2022-09-04T14:38:04.720963Z",
"updated_at": "2022-09-04T14:38:04.720989Z",
"structure_string": "Ca1 Mg3\n1.0\n6.499989 -1.741769 0.000000\n-2.379205 4.120905 0.000000\n0.000000 0.000000 4.764682\nCa Mg\n1 3\ndirect\n0.249985 0.749985 0.250000 Ca\n0.750011 0.750011 0.250000 Mg\n0.249994 0.249994 0.750000 Mg\n0.750005 0.250005 0.750000 Mg\n",
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{
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"updated_at": "2022-09-04T14:38:18.111294Z",
"structure_string": "Ca2 Cd1 Hg1\n1.0\n4.627554 -0.000000 2.671719\n1.542518 4.362899 2.671719\n-0.000000 -0.000000 5.343439\nCa Cd Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
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{
"id": "jvasp-81637",
"created_at": "2022-09-04T14:37:15.187508Z",
"updated_at": "2022-09-04T14:37:15.187535Z",
"structure_string": "Na1 Ga1 Hg2\n1.0\n-10.339861 0.000000 -5.969722\n-6.815439 0.449114 -0.134756\n-5.930147 2.953096 -1.668126\nNa Ga Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 -0.000000 Ga\n0.739929 0.000000 -0.000000 Hg\n0.260071 0.000000 -0.000000 Hg\n",
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{
"id": "jvasp-18579",
"created_at": "2022-09-04T14:36:01.051912Z",
"updated_at": "2022-09-04T14:36:01.051934Z",
"structure_string": "Ho6 Fe1 Bi2\n1.0\n4.129799 -7.153022 0.000000\n4.129799 7.153022 0.000000\n-0.000000 0.000000 4.108637\nHo Fe Bi\n6 1 2\ndirect\n0.000000 0.770542 0.000000 Ho\n0.389511 0.000000 0.500000 Ho\n0.610489 0.610489 0.500000 Ho\n0.229458 0.229458 0.000000 Ho\n0.770542 0.000000 0.000000 Ho\n0.000000 0.389511 0.500000 Ho\n0.000000 0.000000 0.500000 Fe\n0.333333 0.666667 0.000000 Bi\n0.666667 0.333333 0.000000 Bi\n",
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"formula_full": "Ho6 Fe1 Bi2",
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{
"id": "jvasp-14560",
"created_at": "2022-09-04T14:35:48.497103Z",
"updated_at": "2022-09-04T14:35:48.497138Z",
"structure_string": "Yb1 In1\n1.0\n3.778575 -0.000000 -0.000000\n-0.000000 3.778575 0.000000\n0.000000 -0.000000 3.778575\nYb In\n1 1\ndirect\n0.499999 0.499999 0.499999 Yb\n0.000000 0.000000 0.000000 In\n",
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{
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"structure_string": "Sr8 Ge8 Se20\n1.0\n0.000000 8.515168 0.008968\n12.382041 0.000000 0.000000\n0.000000 -7.891758 -9.218759\nSr Ge Se\n8 8 20\ndirect\n0.538458 0.196664 0.479445 Sr\n0.461542 0.696664 0.020555 Sr\n0.461542 0.803336 0.520555 Sr\n0.538458 0.303336 0.979445 Sr\n0.012918 0.336613 0.469363 Sr\n0.987082 0.836613 0.030637 Sr\n0.987082 0.663387 0.530637 Sr\n0.012918 0.163387 0.969363 Sr\n0.157358 0.049666 0.667208 Ge\n0.842642 0.549666 0.832792 Ge\n0.842642 0.950334 0.332792 Ge\n0.157358 0.450334 0.167208 Ge\n0.515021 0.520368 0.313451 Ge\n0.484979 0.020368 0.186549 Ge\n0.515021 0.979632 0.813451 Ge\n0.484979 0.479632 0.686549 Ge\n0.250318 0.558162 0.454206 Se\n0.478398 0.714788 0.291482 Se\n0.521602 0.214788 0.208518 Se\n0.318380 0.992764 0.284549 Se\n0.681620 0.492764 0.215451 Se\n0.681620 0.007236 0.715451 Se\n0.318380 0.507236 0.784549 Se\n0.749682 0.058162 0.045794 Se\n0.250318 0.941837 0.954206 Se\n0.896208 0.909386 0.557014 Se\n0.937647 0.792668 0.277269 Se\n0.937646 0.707332 0.777269 Se\n0.062353 0.292668 0.222731 Se\n0.062353 0.207332 0.722731 Se\n0.103792 0.090614 0.442986 Se\n0.896208 0.590614 0.057014 Se\n0.478397 0.785212 0.791482 Se\n0.103792 0.409386 0.942986 Se\n0.749682 0.441838 0.545794 Se\n0.521602 0.285212 0.708518 Se\n",
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{
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"created_at": "2022-09-04T14:36:00.986356Z",
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"structure_string": "Fe2 Cl6\n1.0\n7.200296 2.965256 7.080022\n-1.539835 2.103538 2.603780\n-6.329847 -6.490560 -1.118179\nFe Cl\n2 6\ndirect\n0.448466 0.717494 0.325122 Fe\n0.850497 0.242250 0.180489 Fe\n0.160977 0.829446 -0.025511 Cl\n0.039341 0.228933 0.531226 Cl\n0.644605 0.069193 0.420655 Cl\n0.410125 -0.141098 0.531333 Cl\n0.922888 0.624630 0.090545 Cl\n0.531847 0.457190 0.972825 Cl\n",
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