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{
"id": "jvasp-87993",
"created_at": "2022-09-04T14:36:19.750400Z",
"updated_at": "2022-09-04T14:36:19.750427Z",
"structure_string": "Te12 Br4 O22\n1.0\n6.836997 0.035494 0.000000\n-3.344014 5.963503 -0.000000\n0.000000 0.000000 15.643675\nTe Br O\n12 4 22\ndirect\n0.206475 0.523491 0.086214 Te\n0.081220 0.081220 0.860500 Te\n0.081220 0.081220 0.639500 Te\n0.918781 0.918779 0.139500 Te\n0.523491 0.206474 0.086214 Te\n0.918781 0.918779 0.360500 Te\n0.206475 0.523491 0.413786 Te\n0.793526 0.476508 0.913786 Te\n0.476509 0.793525 0.913786 Te\n0.523491 0.206474 0.413786 Te\n0.476509 0.793525 0.586214 Te\n0.793526 0.476508 0.586214 Te\n0.853740 0.507749 0.250000 Br\n0.146261 0.492250 0.750000 Br\n0.507750 0.853739 0.250000 Br\n0.492251 0.146260 0.750000 Br\n0.582940 0.582939 0.885161 O\n0.183621 0.485114 0.536899 O\n0.816379 0.514885 0.036899 O\n0.938764 0.938763 0.750000 O\n0.417061 0.417060 0.114838 O\n0.061236 0.061236 0.250000 O\n0.194646 0.951011 0.093612 O\n0.805354 0.048988 0.593612 O\n0.951012 0.194645 0.406388 O\n0.048988 0.805354 0.906388 O\n0.805354 0.048988 0.906388 O\n0.194646 0.951011 0.406388 O\n0.048988 0.805354 0.593612 O\n0.951012 0.194645 0.093612 O\n0.514886 0.816379 0.036899 O\n0.485114 0.183620 0.536899 O\n0.816379 0.514885 0.463101 O\n0.183621 0.485114 0.963100 O\n0.485114 0.183620 0.963100 O\n0.514886 0.816379 0.463101 O\n0.582940 0.582939 0.614838 O\n0.417061 0.417060 0.385161 O\n",
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{
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"created_at": "2022-09-04T14:36:19.750407Z",
"updated_at": "2022-09-04T14:36:19.750425Z",
"structure_string": "Zr3 Sn3 Rh3\n1.0\n0.000000 0.000000 -3.674891\n-3.692565 -6.395708 0.000000\n-3.692583 6.395720 0.000000\nZr Sn Rh\n3 3 3\ndirect\n0.500000 0.603138 0.000000 Zr\n0.500000 0.396842 0.396850 Zr\n0.500000 0.999993 0.603151 Zr\n0.000000 0.268444 0.000000 Sn\n0.000000 0.731532 0.731542 Sn\n0.000000 0.999990 0.268458 Sn\n0.000000 0.333322 0.666668 Rh\n0.000000 0.666654 0.333332 Rh\n0.500000 0.999988 0.000001 Rh\n",
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{
"id": "jvasp-94112",
"created_at": "2022-09-04T14:36:19.745946Z",
"updated_at": "2022-09-04T14:36:19.745966Z",
"structure_string": "Mg6 Ni1 Bi1\n1.0\n6.723178 -0.282922 0.000000\n-3.606606 5.680982 0.000000\n0.000000 0.000000 4.759017\nMg Ni Bi\n6 1 1\ndirect\n0.171516 0.806059 0.250000 Mg\n0.693941 0.328484 0.250000 Mg\n0.671010 0.828989 0.250000 Mg\n0.328748 0.634382 0.750001 Mg\n0.865618 0.171252 0.750001 Mg\n0.828076 0.671924 0.750001 Mg\n0.106168 0.393831 0.250000 Ni\n0.334923 0.165077 0.750001 Bi\n",
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"spacegroup": 38
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{
"id": "jvasp-93177",
"created_at": "2022-09-04T14:36:19.741391Z",
"updated_at": "2022-09-04T14:36:19.741416Z",
"structure_string": "K1 Mg6 Bi1\n1.0\n7.534954 -0.571037 0.000000\n-4.262009 6.239942 0.000000\n0.000000 0.000000 5.063686\nK Mg Bi\n1 6 1\ndirect\n0.203209 0.296791 0.250000 K\n0.160079 0.792156 0.250000 Mg\n0.707843 0.339920 0.250000 Mg\n0.631169 0.868829 0.250000 Mg\n0.312145 0.676719 0.750001 Mg\n0.823280 0.187854 0.750001 Mg\n0.788166 0.711832 0.750001 Mg\n0.374108 0.125892 0.750001 Bi\n",
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{
"id": "jvasp-48001",
"created_at": "2022-09-04T14:36:19.740870Z",
"updated_at": "2022-09-04T14:36:19.740886Z",
"structure_string": "Li4 Mn2 F8\n1.0\n3.251595 0.000000 0.000000\n0.000000 8.605237 0.000000\n0.000000 0.000000 8.616459\nLi Mn F\n4 2 8\ndirect\n0.000000 0.258206 0.988361 Li\n0.000000 0.234573 0.487986 Li\n0.000000 0.758206 0.011639 Li\n0.000000 0.734573 0.512014 Li\n0.499999 0.996211 0.249973 Mn\n0.499999 0.496210 0.750027 Mn\n0.000000 0.110344 0.136082 F\n0.499999 0.169634 0.423026 F\n0.499999 0.323073 0.923347 F\n0.000000 0.382110 0.636064 F\n0.000000 0.610344 0.863918 F\n0.499999 0.669635 0.576974 F\n0.499999 0.823073 0.076653 F\n0.000000 0.882110 0.363936 F\n",
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{
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"created_at": "2022-09-04T14:36:19.739874Z",
"updated_at": "2022-09-04T14:36:19.739901Z",
"structure_string": "Be2 Hg1 W1\n1.0\n2.745922 -0.000000 0.000000\n-0.000000 2.745922 -0.000000\n0.000000 -0.000000 7.484819\nBe Hg W\n2 1 1\ndirect\n0.000000 0.000000 0.727989 Be\n0.000000 0.000000 0.272011 Be\n0.500000 0.500000 0.000000 Hg\n0.500000 0.500000 0.500000 W\n",
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{
"id": "jvasp-63520",
"created_at": "2022-09-04T14:36:19.737760Z",
"updated_at": "2022-09-04T14:36:19.737777Z",
"structure_string": "Te2 Au1\n1.0\n2.109044 -3.652972 -0.000000\n2.109044 3.652972 -0.000000\n0.000000 -0.000000 5.213892\nTe Au\n2 1\ndirect\n0.333332 0.666666 0.288915 Te\n0.666666 0.333332 0.711085 Te\n0.000000 0.000000 0.000000 Au\n",
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{
"id": "jvasp-86936",
"created_at": "2022-09-04T14:36:19.737164Z",
"updated_at": "2022-09-04T14:36:19.737188Z",
"structure_string": "K2 La2 Ti3 O10\n1.0\n3.867973 -0.000000 -0.498613\n-0.064275 3.867439 -0.498613\n-0.013555 -0.013782 15.147000\nK La Ti O\n2 2 3 10\ndirect\n0.707970 0.707972 0.415942 K\n0.292029 0.292029 0.584059 K\n0.571784 0.571785 0.143570 La\n0.428215 0.428215 0.856430 La\n0.000000 0.000000 0.000000 Ti\n0.859048 0.859050 0.718099 Ti\n0.140951 0.140951 0.281901 Ti\n0.064704 0.064704 0.129408 O\n0.799840 0.799842 0.599683 O\n0.935295 0.935297 0.870593 O\n0.627390 0.127390 0.254780 O\n0.127389 0.627390 0.254780 O\n0.372610 0.872611 0.745220 O\n0.872610 0.372610 0.745220 O\n0.200159 0.200159 0.400318 O\n0.500000 0.000000 0.000000 O\n-0.000001 0.500000 0.000000 O\n",
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"structure_string": "Mg2 Ti6\n1.0\n4.100069 0.000000 0.000000\n0.000000 4.100069 0.000000\n0.000000 0.000000 8.425547\nMg Ti\n2 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.250000 Ti\n0.000000 0.500000 0.250000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.750000 Ti\n0.500000 0.000000 0.750000 Ti\n",
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{
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{
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"structure_string": "Ba4 Ga1 Rh1\n1.0\n-0.000000 4.817647 4.817647\n4.817647 0.000000 4.817647\n4.817647 4.817647 0.000000\nBa Ga Rh\n4 1 1\ndirect\n0.123771 0.625410 0.625410 Ba\n0.625410 0.625410 0.625410 Ba\n0.625410 0.123771 0.625410 Ba\n0.625410 0.625410 0.123771 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Rh\n",
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