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{
"id": "jvasp-64275",
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{
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{
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"structure_string": "Ba4 Sb1 Os1\n1.0\n-0.000000 4.786833 4.786833\n4.786833 0.000000 4.786833\n4.786833 4.786833 -0.000000\nBa Sb Os\n4 1 1\ndirect\n0.125885 0.624705 0.624705 Ba\n0.624705 0.624705 0.624705 Ba\n0.624705 0.125885 0.624705 Ba\n0.624705 0.624705 0.125885 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Os\n",
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{
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"created_at": "2022-09-04T14:35:45.332025Z",
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"structure_string": "Ba4 Sb1 Mo1\n1.0\n0.000000 4.945165 4.945165\n4.945165 0.000000 4.945165\n4.945165 4.945165 -0.000000\nBa Sb Mo\n4 1 1\ndirect\n0.123178 0.625607 0.625607 Ba\n0.625607 0.625607 0.625607 Ba\n0.625607 0.123178 0.625607 Ba\n0.625607 0.625607 0.123178 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Mo\n",
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"volume": 241.86462655252475,
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{
"id": "jvasp-66256",
"created_at": "2022-09-04T14:35:55.840285Z",
"updated_at": "2022-09-04T14:35:55.840307Z",
"structure_string": "Ba4 Sb1 Ir1\n1.0\n-0.000000 4.770982 4.770982\n4.770982 0.000000 4.770982\n4.770982 4.770982 -0.000000\nBa Sb Ir\n4 1 1\ndirect\n0.126092 0.624636 0.624636 Ba\n0.624636 0.624636 0.624636 Ba\n0.624636 0.126092 0.624636 Ba\n0.624636 0.624636 0.126092 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Ir\n",
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{
"id": "jvasp-64532",
"created_at": "2022-09-04T14:38:07.068433Z",
"updated_at": "2022-09-04T14:38:07.068455Z",
"structure_string": "Ba4 Sb1 Cl1\n1.0\n0.000000 4.966721 4.966721\n4.966721 -0.000000 4.966721\n4.966721 4.966721 0.000000\nBa Sb Cl\n4 1 1\ndirect\n0.121895 0.626035 0.626035 Ba\n0.626035 0.626035 0.626035 Ba\n0.626035 0.121895 0.626035 Ba\n0.626035 0.626035 0.121895 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Cl\n",
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{
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"created_at": "2022-09-04T14:35:59.362417Z",
"updated_at": "2022-09-04T14:35:59.362443Z",
"structure_string": "Ba4 Sb1 Br1\n1.0\n-0.000000 4.988039 4.988039\n4.988039 0.000000 4.988039\n4.988039 4.988039 0.000000\nBa Sb Br\n4 1 1\ndirect\n0.121853 0.626049 0.626049 Ba\n0.626049 0.626049 0.626049 Ba\n0.626049 0.121853 0.626049 Ba\n0.626049 0.626049 0.121853 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Br\n",
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{
"id": "jvasp-12975",
"created_at": "2022-09-04T14:37:14.805982Z",
"updated_at": "2022-09-04T14:37:14.806016Z",
"structure_string": "Ba4 S6\n1.0\n5.650368 0.000000 -2.021845\n-0.723468 5.603860 -2.021845\n0.081981 0.093246 9.135458\nBa S\n4 6\ndirect\n0.953360 0.453360 0.906720 Ba\n0.203360 0.203360 0.406720 Ba\n0.552289 0.052289 0.104577 Ba\n0.802289 0.802289 0.604577 Ba\n0.962961 0.640586 0.281172 S\n0.390586 0.212962 0.781173 S\n0.390586 0.568213 0.781173 S\n0.318212 0.640586 0.281173 S\n0.000379 0.000379 0.000757 S\n0.750379 0.250379 0.500757 S\n",
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"volume": 291.39447422298116,
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"formula_full": "Ba4 S6",
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"spacegroup": 109
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{
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"created_at": "2022-09-04T14:35:54.061392Z",
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"structure_string": "Ba4 S4 O8\n1.0\n7.312703 0.000000 0.000000\n0.000000 5.421109 0.000000\n0.000000 0.000000 6.845863\nBa S O\n4 4 8\ndirect\n0.635308 0.250000 0.329532 Ba\n0.135309 0.250000 0.170468 Ba\n0.364691 0.750000 0.670468 Ba\n0.864691 0.750000 0.829532 Ba\n0.881681 0.750000 0.322283 S\n0.381681 0.750000 0.177716 S\n0.118318 0.250000 0.677716 S\n0.618318 0.250000 0.822283 S\n0.700790 0.750000 0.462319 O\n0.200790 0.750000 0.037681 O\n0.299209 0.250000 0.537681 O\n0.799209 0.250000 0.962318 O\n0.554439 0.750000 0.039730 O\n0.054439 0.750000 0.460269 O\n0.445561 0.250000 0.960269 O\n0.945561 0.250000 0.539730 O\n",
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{
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"created_at": "2022-09-04T14:38:43.781134Z",
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"structure_string": "Ba4 S4 O16\n1.0\n5.488576 0.000000 0.000000\n0.000000 7.187315 0.000000\n-0.000000 0.000000 8.871858\nBa S O\n4 4 16\ndirect\n0.749893 0.908501 0.316346 Ba\n0.250107 0.408501 0.183654 Ba\n0.750108 0.091499 0.816346 Ba\n0.249893 0.591500 0.683654 Ba\n0.750134 0.439720 0.435687 S\n0.249866 0.939720 0.064313 S\n0.749867 0.560281 0.935687 S\n0.250134 0.060281 0.564313 S\n0.470729 0.061608 0.080322 O\n0.529271 0.561609 0.419678 O\n0.970836 0.561759 0.419555 O\n0.029164 0.061759 0.080445 O\n0.529165 0.438242 0.919555 O\n0.470836 0.938242 0.580446 O\n0.250142 0.198977 0.689077 O\n0.250326 0.148213 0.414004 O\n0.249858 0.801024 0.189077 O\n0.750143 0.301024 0.310923 O\n0.970730 0.438392 0.919678 O\n0.749675 0.648214 0.085996 O\n0.249674 0.851787 0.914004 O\n0.750326 0.351787 0.585996 O\n0.749858 0.698977 0.810923 O\n0.029271 0.938392 0.580323 O\n",
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{
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"structure_string": "Ba4 S4 O16\n1.0\n5.480957 0.000000 0.000000\n0.000000 7.192027 0.000000\n0.000000 0.000000 8.927816\nBa S O\n4 4 16\ndirect\n0.250000 0.842010 0.684338 Ba\n0.750000 0.157990 0.315662 Ba\n0.750000 0.342010 0.815662 Ba\n0.250000 0.657990 0.184338 Ba\n0.250000 0.309894 0.563244 S\n0.750000 0.690106 0.436756 S\n0.750000 0.809894 0.936756 S\n0.250000 0.190106 0.063244 S\n0.750000 0.949472 0.814295 O\n0.250000 0.050528 0.185706 O\n0.250000 0.104229 0.913657 O\n0.750000 0.895771 0.086343 O\n0.750000 0.604229 0.586344 O\n0.250000 0.395771 0.413657 O\n0.029530 0.311221 0.079984 O\n0.970470 0.688779 0.920017 O\n0.970470 0.811221 0.420017 O\n0.470470 0.188779 0.579984 O\n0.750000 0.550528 0.314295 O\n0.470470 0.311221 0.079984 O\n0.029530 0.188779 0.579984 O\n0.529531 0.811221 0.420017 O\n0.529531 0.688779 0.920017 O\n0.250000 0.449472 0.685706 O\n",
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{
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}