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{
"id": "jvasp-55644",
"created_at": "2022-09-04T14:38:35.473479Z",
"updated_at": "2022-09-04T14:38:35.473506Z",
"structure_string": "K4 Fe4 Br12\n1.0\n3.976757 -0.000000 0.000000\n0.000000 9.135649 0.000000\n0.000000 0.000000 14.866946\nK Fe Br\n4 4 12\ndirect\n0.250000 0.935784 0.327497 K\n0.750001 0.064216 0.672503 K\n0.250000 0.435784 0.172503 K\n0.750001 0.564216 0.827497 K\n0.250000 0.659887 0.554511 Fe\n0.750001 0.340113 0.445489 Fe\n0.250000 0.159887 0.945489 Fe\n0.750001 0.840114 0.054511 Fe\n0.250000 0.023992 0.101798 Br\n0.750001 0.976008 0.898202 Br\n0.250000 0.674301 0.994791 Br\n0.750001 0.325699 0.005209 Br\n0.250000 0.174301 0.505210 Br\n0.250000 0.278407 0.792409 Br\n0.250000 0.778407 0.707591 Br\n0.750001 0.221593 0.292409 Br\n0.750001 0.476008 0.601798 Br\n0.750001 0.721593 0.207591 Br\n0.750001 0.825699 0.494791 Br\n0.250000 0.523992 0.398202 Br\n",
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{
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"structure_string": "Mg6 Sb2\n1.0\n4.371299 -0.000000 -0.000000\n0.000000 4.371299 0.000000\n-0.000000 0.000000 9.668973\nMg Sb\n6 2\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.250000 Mg\n0.000000 0.500000 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.750000 Mg\n0.500000 0.000000 0.750000 Mg\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n",
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{
"id": "jvasp-66033",
"created_at": "2022-09-04T14:35:45.149095Z",
"updated_at": "2022-09-04T14:35:45.149123Z",
"structure_string": "Ba1 Cu1 Bi1\n1.0\n0.000000 3.871834 3.871834\n3.871834 0.000000 3.871834\n3.871834 3.871834 0.000000\nBa Cu Bi\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Bi\n",
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{
"id": "jvasp-41184",
"created_at": "2022-09-04T14:37:44.320460Z",
"updated_at": "2022-09-04T14:37:44.320489Z",
"structure_string": "Mg6 Sc2\n1.0\n3.213823 -5.566506 0.000000\n3.213823 5.566506 0.000000\n-0.000000 -0.000000 5.074601\nMg Sc\n6 2\ndirect\n0.665249 0.832625 0.750000 Mg\n0.167374 0.832625 0.750000 Mg\n0.167374 0.334750 0.750000 Mg\n0.832625 0.665249 0.250000 Mg\n0.832625 0.167374 0.250000 Mg\n0.334750 0.167374 0.250000 Mg\n0.666667 0.333332 0.750000 Sc\n0.333332 0.666667 0.250000 Sc\n",
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"spacegroup": 194
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{
"id": "jvasp-45994",
"created_at": "2022-09-04T14:38:07.268846Z",
"updated_at": "2022-09-04T14:38:07.268876Z",
"structure_string": "Ba1 Y2 F8\n1.0\n3.508023 5.281866 -0.005785\n-3.508023 5.281866 0.005785\n-0.727178 0.000000 4.225435\nBa Y F\n1 2 8\ndirect\n0.003071 0.996930 0.999980 Ba\n0.327157 0.320996 0.499997 Y\n0.679005 0.672843 0.499997 Y\n0.051029 0.669648 0.564137 F\n0.330353 0.948972 0.564137 F\n0.394585 0.605415 0.220625 F\n0.744070 0.737843 -0.000001 F\n0.262158 0.255931 -0.000001 F\n0.611533 0.388468 0.779346 F\n0.675843 0.044862 0.435888 F\n0.955138 0.324158 0.435888 F\n",
"nsites": 11,
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"formula_full": "Ba1 Y2 F8",
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{
"id": "jvasp-31819",
"created_at": "2022-09-04T14:38:15.169225Z",
"updated_at": "2022-09-04T14:38:15.169253Z",
"structure_string": "Ge12 Cl32\n1.0\n10.602214 0.000000 6.121190\n3.534071 9.995862 6.121190\n0.000000 0.000000 12.242382\nGe Cl\n12 32\ndirect\n0.000000 0.000000 0.000000 Ge\n0.667814 0.667815 0.667815 Ge\n0.996555 0.667815 0.667815 Ge\n0.667814 0.667815 0.996555 Ge\n0.167815 0.167815 0.167815 Ge\n0.167815 0.496555 0.167815 Ge\n0.496555 0.167815 0.167815 Ge\n0.667814 0.996555 0.667815 Ge\n0.250000 0.250000 0.250000 Ge\n0.750000 0.750000 0.750000 Ge\n0.167815 0.167815 0.496555 Ge\n0.500000 0.500000 0.500000 Ge\n0.169812 0.293015 0.571429 Cl\n0.669811 0.071429 0.793015 Cl\n0.071429 0.669811 0.465743 Cl\n0.669811 0.793015 0.465743 Cl\n0.071429 0.465743 0.793015 Cl\n0.465743 0.793015 0.071429 Cl\n0.169812 0.965743 0.293015 Cl\n0.965743 0.169812 0.571429 Cl\n0.965743 0.293015 0.169812 Cl\n0.571429 0.169812 0.293015 Cl\n0.293015 0.965743 0.571429 Cl\n0.428760 0.428760 0.713718 Cl\n0.965743 0.571429 0.293015 Cl\n0.571429 0.293015 0.965743 Cl\n0.293015 0.571429 0.169812 Cl\n0.293015 0.169812 0.965743 Cl\n0.169812 0.571429 0.965743 Cl\n0.071429 0.793015 0.669812 Cl\n0.669811 0.465743 0.071429 Cl\n0.465743 0.669811 0.793015 Cl\n0.793015 0.071429 0.465743 Cl\n0.793015 0.669811 0.071430 Cl\n0.465743 0.071429 0.669812 Cl\n0.928760 0.928760 0.213718 Cl\n0.428760 0.713717 0.428761 Cl\n0.428760 0.428760 0.428761 Cl\n0.713717 0.428760 0.428761 Cl\n0.213717 0.928760 0.928760 Cl\n0.928760 0.213717 0.928761 Cl\n0.928760 0.928760 0.928761 Cl\n0.793015 0.465743 0.669812 Cl\n0.571429 0.965743 0.169812 Cl\n",
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"volume": 1297.4264410253159,
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"formula_full": "Ge12 Cl32",
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{
"id": "jvasp-103739",
"created_at": "2022-09-04T14:36:50.004314Z",
"updated_at": "2022-09-04T14:36:50.004329Z",
"structure_string": "Al1 Co1 F5\n1.0\n4.959692 -0.006885 -1.422033\n-0.885518 3.203861 -3.946126\n-0.035304 0.006885 5.159407\nAl Co F\n1 1 5\ndirect\n0.500000 0.500001 0.000000 Al\n0.000000 0.000000 0.000000 Co\n0.797216 0.500001 0.297217 F\n0.202784 0.499999 0.702783 F\n0.258042 0.258043 0.000000 F\n0.741957 0.741959 0.000000 F\n0.500000 -0.000000 0.500001 F\n",
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"volume": 81.93398239452668,
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},
{
"id": "jvasp-115612",
"created_at": "2022-09-04T14:38:44.335926Z",
"updated_at": "2022-09-04T14:38:44.335956Z",
"structure_string": "Be1 Cd1 Br1\n1.0\n3.123411 1.295147 0.000000\n1.902678 7.724748 0.000000\n0.000000 0.000000 3.376968\nBe Cd Br\n1 1 1\ndirect\n0.114439 0.084140 0.000000 Be\n0.205105 0.379295 0.000000 Cd\n-0.070210 -0.145267 0.000000 Br\n",
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{
"id": "jvasp-37228",
"created_at": "2022-09-04T14:37:54.258063Z",
"updated_at": "2022-09-04T14:37:54.258090Z",
"structure_string": "Sm1 Er1 Mg2\n1.0\n-0.000000 3.776224 3.776224\n3.776224 -0.000000 3.776224\n3.776224 3.776224 -0.000000\nSm Er Mg\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Sm\n0.250000 0.250000 0.250000 Er\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 Mg\n",
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{
"id": "jvasp-67446",
"created_at": "2022-09-04T14:35:53.349941Z",
"updated_at": "2022-09-04T14:35:53.349966Z",
"structure_string": "Na1 Be1 Br1\n1.0\n1.807160 -3.130093 -0.000000\n1.807160 3.130093 -0.000000\n0.000000 -0.000000 5.989853\nNa Be Br\n1 1 1\ndirect\n0.333333 0.666667 0.684587 Na\n0.000000 0.000000 0.036435 Be\n0.666667 0.333333 0.278977 Br\n",
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{
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{
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