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{
"id": "jvasp-64019",
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{
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"structure_string": "Hf4 I16\n1.0\n7.943328 -0.001393 -2.627623\n-0.875246 7.894961 -2.627623\n-0.011670 -0.013033 12.929741\nHf I\n4 16\ndirect\n0.217614 0.938334 0.624785 Hf\n0.938334 0.217615 0.124785 Hf\n0.782386 0.061666 0.375215 Hf\n0.061666 0.782386 0.875215 Hf\n0.420396 0.687210 0.615427 I\n0.820559 0.052694 0.879651 I\n0.687210 0.420396 0.115427 I\n0.312790 0.579604 0.884574 I\n0.435048 0.186098 0.635204 I\n0.813902 0.564953 0.864796 I\n0.052693 0.820559 0.379651 I\n0.291887 0.056826 0.870279 I\n0.947307 0.179442 0.620350 I\n0.564952 0.813902 0.364796 I\n0.186098 0.435048 0.135204 I\n0.056825 0.291887 0.370279 I\n0.708113 0.943175 0.129721 I\n0.179441 0.947307 0.120349 I\n0.579604 0.312790 0.384574 I\n0.943175 0.708114 0.629721 I\n",
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{
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"structure_string": "Ba4 Fe1 Cl1\n1.0\n0.000000 4.953491 4.953491\n4.953491 -0.000000 4.953491\n4.953491 4.953491 -0.000000\nBa Fe Cl\n4 1 1\ndirect\n0.123829 0.625390 0.625390 Ba\n0.625390 0.625390 0.625390 Ba\n0.625390 0.123829 0.625390 Ba\n0.625390 0.625390 0.123829 Ba\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Cl\n",
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"volume": 243.08834140639587,
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"formula_full": "Ba4 Fe1 Cl1",
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"spacegroup": 216
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{
"id": "jvasp-66060",
"created_at": "2022-09-04T14:35:56.930806Z",
"updated_at": "2022-09-04T14:35:56.930834Z",
"structure_string": "Ba1 Y1 Pb1\n1.0\n-0.000000 3.931776 3.931776\n3.931776 -0.000000 3.931776\n3.931776 3.931776 -0.000000\nBa Y Pb\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Pb\n",
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"volume": 121.56156924107373,
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{
"id": "jvasp-107056",
"created_at": "2022-09-04T14:36:48.036829Z",
"updated_at": "2022-09-04T14:36:48.036848Z",
"structure_string": "K3 I2 Br1\n1.0\n4.855589 0.000000 0.000000\n-2.427795 4.205064 0.000000\n-0.000000 -0.000000 11.910712\nK I Br\n3 2 1\ndirect\n0.000000 0.000000 0.500000 K\n0.333334 0.666666 0.150770 K\n0.666667 0.333333 0.849230 K\n0.333334 0.666666 0.674648 I\n0.666667 0.333333 0.325351 I\n0.000000 0.000000 0.000000 Br\n",
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{
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"created_at": "2022-09-04T14:38:06.877999Z",
"updated_at": "2022-09-04T14:38:06.878029Z",
"structure_string": "Ga4 I12\n1.0\n0.000000 9.606395 -0.072405\n6.000259 0.000000 0.000000\n0.000000 -3.659689 -11.223707\nGa I\n4 12\ndirect\n0.699372 0.001336 0.049244 Ga\n0.300629 0.501336 0.450756 Ga\n0.300629 0.998664 0.950757 Ga\n0.699372 0.498664 0.549244 Ga\n0.834008 0.743911 0.215026 I\n0.165992 0.243911 0.284975 I\n0.165992 0.256090 0.784975 I\n0.834009 0.756090 0.715026 I\n0.832910 0.258828 0.948968 I\n0.167091 0.758828 0.551033 I\n0.167091 0.741172 0.051033 I\n0.832910 0.241172 0.448968 I\n0.500644 0.765717 0.879060 I\n0.499357 0.265717 0.620941 I\n0.499357 0.234283 0.120941 I\n0.500644 0.734283 0.379060 I\n",
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"volume": 648.5340493745903,
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{
"id": "jvasp-63950",
"created_at": "2022-09-04T14:36:11.285487Z",
"updated_at": "2022-09-04T14:36:11.285511Z",
"structure_string": "Ba4 Mn1 Ge1\n1.0\n-0.000000 4.955285 4.955285\n4.955285 -0.000000 4.955285\n4.955285 4.955285 0.000000\nBa Mn Ge\n4 1 1\ndirect\n0.127444 0.624186 0.624186 Ba\n0.624186 0.624186 0.624186 Ba\n0.624186 0.127444 0.624186 Ba\n0.624186 0.624186 0.127444 Ba\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Ge\n",
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"formula_full": "Ba4 Mn1 Ge1",
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{
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"created_at": "2022-09-04T14:38:49.783076Z",
"updated_at": "2022-09-04T14:38:49.783106Z",
"structure_string": "Ba1 Sb1 I2\n1.0\n4.773580 0.000000 -0.000000\n0.000000 4.773580 -0.000000\n-0.000000 0.000000 7.120501\nBa Sb I\n1 1 2\ndirect\n0.500000 0.500000 0.638011 Ba\n0.000000 0.000000 0.829941 Sb\n0.000000 0.000000 0.419852 I\n0.500000 0.500000 0.122196 I\n",
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"spacegroup": 99
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{
"id": "jvasp-66618",
"created_at": "2022-09-04T14:36:04.057978Z",
"updated_at": "2022-09-04T14:36:04.058010Z",
"structure_string": "K1 Ba1 Se1\n1.0\n0.000000 3.933249 3.933249\n3.933249 -0.000000 3.933249\n3.933249 3.933249 0.000000\nK Ba Se\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Se\n",
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{
"id": "jvasp-64823",
"created_at": "2022-09-04T14:36:05.468980Z",
"updated_at": "2022-09-04T14:36:05.469012Z",
"structure_string": "Ba4 Pd1 Br1\n1.0\n0.000000 4.955775 4.955775\n4.955775 -0.000000 4.955775\n4.955775 4.955775 -0.000000\nBa Pd Br\n4 1 1\ndirect\n0.125025 0.624992 0.624992 Ba\n0.624992 0.624992 0.624992 Ba\n0.624992 0.125025 0.624992 Ba\n0.624992 0.624992 0.125025 Ba\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 Br\n",
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{
"id": "jvasp-50789",
"created_at": "2022-09-04T14:37:12.368683Z",
"updated_at": "2022-09-04T14:37:12.368711Z",
"structure_string": "Ba2 Ca2 I8\n1.0\n-1.912762 0.000000 8.613217\n2.833191 -7.451054 4.323990\n2.833191 7.451054 4.323990\nBa Ca I\n2 2 8\ndirect\n0.250000 0.385185 0.114815 Ba\n0.750000 0.614816 0.885185 Ba\n0.750000 0.252551 0.247450 Ca\n0.250000 0.747449 0.752551 Ca\n0.216597 0.012134 0.138645 I\n0.914733 0.799911 0.146055 I\n0.283403 0.361355 0.487866 I\n0.585267 0.353946 0.700089 I\n0.414733 0.646055 0.299911 I\n0.716597 0.638645 0.512135 I\n0.085267 0.200089 0.853945 I\n0.783404 0.987866 0.861355 I\n",
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"volume": 486.9063004825997,
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{
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"created_at": "2022-09-04T14:36:14.915942Z",
"updated_at": "2022-09-04T14:36:14.915976Z",
"structure_string": "Ba4 Ge1 Pb1\n1.0\n0.000000 4.956763 4.956763\n4.956763 0.000000 4.956763\n4.956763 4.956763 0.000000\nBa Ge Pb\n4 1 1\ndirect\n0.125713 0.624762 0.624762 Ba\n0.624762 0.624762 0.624762 Ba\n0.624762 0.125713 0.624762 Ba\n0.624762 0.624762 0.125713 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Pb\n",
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