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{
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"results": [
{
"id": "jvasp-99160",
"created_at": "2022-09-04T14:36:32.211697Z",
"updated_at": "2022-09-04T14:36:32.211727Z",
"structure_string": "Al4 Tl4 Br16\n1.0\n7.407741 0.000000 0.000000\n0.000000 8.221310 -2.502630\n0.000000 0.146377 13.267560\nAl Tl Br\n4 4 16\ndirect\n0.783332 0.289113 0.546677 Al\n0.216668 0.710888 0.453323 Al\n0.783332 0.710888 0.953323 Al\n0.216668 0.289112 0.046677 Al\n0.107111 0.000000 0.250000 Tl\n0.358739 0.500000 0.750000 Tl\n0.641261 0.500000 0.250000 Tl\n0.892889 0.000000 0.750000 Tl\n0.256319 0.202298 0.864971 Br\n0.733071 0.434295 0.893122 Br\n0.743681 0.202298 0.364971 Br\n0.425964 0.847023 0.377609 Br\n0.743681 0.797703 0.135030 Br\n0.071082 0.782299 0.911665 Br\n0.256319 0.797703 0.635030 Br\n0.071082 0.217702 0.588335 Br\n0.425964 0.152977 0.122391 Br\n0.266929 0.565705 0.106878 Br\n0.928918 0.782299 0.411665 Br\n0.928918 0.217702 0.088335 Br\n0.266929 0.434295 0.393122 Br\n0.574036 0.847023 0.877609 Br\n0.574036 0.152977 0.622391 Br\n0.733071 0.565706 0.606878 Br\n",
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{
"id": "jvasp-24608",
"created_at": "2022-09-04T14:37:04.119122Z",
"updated_at": "2022-09-04T14:37:04.119136Z",
"structure_string": "Al2 Tl4 F10\n1.0\n6.226199 0.618322 0.000000\n-0.620095 6.226022 0.000000\n0.000000 0.000000 7.541177\nAl Tl F\n2 4 10\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.499678 0.998941 0.750000 Tl\n0.500321 0.001059 0.250000 Tl\n0.998941 0.499678 0.750000 Tl\n0.001058 0.500321 0.250000 Tl\n0.794882 0.794882 0.498844 F\n0.205083 0.794917 0.000000 F\n0.998958 0.998958 0.750000 F\n0.794917 0.205083 0.000000 F\n0.794917 0.205083 0.500000 F\n0.205083 0.794917 0.500000 F\n0.205117 0.205117 0.501157 F\n0.794882 0.794882 0.001156 F\n0.205117 0.205117 0.998844 F\n0.001041 0.001041 0.250000 F\n",
"nsites": 16,
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"density": 5.970542090127939,
"density_atomic": 0.05419668299984399,
"volume": 295.2210193388783,
"volume_molar": 11.111640836058795,
"formula_full": "Al2 Tl4 F10",
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"formula_anonymous": "AB2C5",
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{
"id": "jvasp-109790",
"created_at": "2022-09-04T14:38:26.965204Z",
"updated_at": "2022-09-04T14:38:26.965218Z",
"structure_string": "Al1 Tl2 Cu3 Se4\n1.0\n3.963068 -0.000000 0.000000\n0.000000 3.963068 0.000000\n-0.000000 -0.000000 14.462881\nAl Tl Cu Se\n1 2 3 4\ndirect\n0.500000 0.500000 -0.000000 Al\n0.500000 0.000000 0.714163 Tl\n-0.000000 0.500000 0.285837 Tl\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n-0.000000 0.500000 0.894074 Se\n0.500000 0.000000 0.390700 Se\n0.500000 0.000000 0.105925 Se\n-0.000000 0.500000 0.609300 Se\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Al-Cu-Se-Tl",
"density": 6.8878928765367355,
"density_atomic": 0.0440232538212882,
"volume": 227.15267800501215,
"volume_molar": 13.679454009571392,
"formula_full": "Al1 Tl2 Cu3 Se4",
"formula_reduced": "AlTl2Cu3Se4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.5249442816666667,
"spacegroup": 115
},
{
"id": "jvasp-52459",
"created_at": "2022-09-04T14:37:43.965394Z",
"updated_at": "2022-09-04T14:37:43.965415Z",
"structure_string": "Al4 Te4 O16\n1.0\n4.564217 0.000000 0.000000\n0.000000 4.921016 0.000000\n0.000000 0.000000 11.595960\nAl Te O\n4 4 16\ndirect\n0.000000 0.750001 0.435902 Al\n0.000000 0.250000 0.564098 Al\n0.500000 0.250000 0.064098 Al\n0.500000 0.750001 0.935902 Al\n0.000000 0.750001 0.165855 Te\n0.000000 0.250000 0.834145 Te\n0.500000 0.750001 0.665855 Te\n0.500000 0.250000 0.334145 Te\n0.227905 0.570702 0.550935 O\n0.227905 0.070701 0.449065 O\n0.272095 0.070701 0.949065 O\n0.272095 0.570702 0.050935 O\n0.275824 0.589559 0.813620 O\n0.275824 0.089559 0.186380 O\n0.724176 0.910442 0.813620 O\n0.772095 0.929299 0.550935 O\n0.727906 0.429299 0.949065 O\n0.727906 0.929299 0.050935 O\n0.224176 0.589559 0.313620 O\n0.772095 0.429299 0.449065 O\n0.775825 0.410441 0.686380 O\n0.775825 0.910442 0.313620 O\n0.724176 0.410441 0.186380 O\n0.224176 0.089559 0.686380 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Al-O-Te",
"density": 5.574296033287342,
"density_atomic": 0.09214748189688442,
"volume": 260.4520438969419,
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"formula_full": "Al4 Te4 O16",
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"spacegroup": 60
},
{
"id": "jvasp-5653",
"created_at": "2022-09-04T14:38:07.341064Z",
"updated_at": "2022-09-04T14:38:07.341083Z",
"structure_string": "Al2 Te2 I14\n1.0\n0.000000 7.769011 -0.242164\n7.404501 0.000000 0.000000\n0.000000 -3.718428 -13.941911\nAl Te I\n2 2 14\ndirect\n0.694303 0.998598 0.349867 Al\n0.694303 0.001402 0.849867 Al\n0.002646 0.598360 0.492573 Te\n0.002646 0.401640 0.992573 Te\n0.469732 0.821527 0.224844 I\n0.469731 0.178473 0.724844 I\n0.651885 0.339871 0.327672 I\n0.651884 0.660128 0.827672 I\n0.666221 0.883161 0.513625 I\n0.666221 0.116839 0.013625 I\n0.008904 0.067768 0.827557 I\n0.950791 0.634565 0.134027 I\n0.217275 0.844849 0.612439 I\n0.217275 0.155151 0.112439 I\n0.276142 0.423031 0.432874 I\n0.950790 0.365434 0.634027 I\n0.276142 0.576969 0.932874 I\n0.008904 0.932232 0.327557 I\n",
"nsites": 18,
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"Te",
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"density": 4.282996376835354,
"density_atomic": 0.022258357287127297,
"volume": 808.6850151520374,
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"formula_full": "Al2 Te2 I14",
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"spacegroup": 7
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{
"id": "jvasp-101374",
"created_at": "2022-09-04T14:36:32.017805Z",
"updated_at": "2022-09-04T14:36:32.017827Z",
"structure_string": "Al4 Te4 Cl28\n1.0\n6.381655 -0.023744 -0.752371\n-1.127175 8.194025 -0.455226\n0.132808 0.069729 19.340826\nAl Te Cl\n4 4 28\ndirect\n0.307884 0.098354 0.396503 Al\n0.709723 0.334589 0.877226 Al\n0.692117 0.901647 0.603497 Al\n0.290278 0.665412 0.122774 Al\n0.714863 0.274899 0.108893 Te\n0.253060 0.281999 0.619801 Te\n0.285137 0.725102 0.891107 Te\n0.746941 0.718002 0.380199 Te\n0.613700 0.049980 0.367980 Cl\n0.134190 0.966874 0.878733 Cl\n0.381725 0.147528 0.056160 Cl\n0.661219 0.130760 0.804137 Cl\n0.117092 0.163020 0.309053 Cl\n0.624303 0.291116 0.222674 Cl\n0.865408 0.740441 0.270033 Cl\n0.093866 0.715211 0.029033 Cl\n0.829666 0.113553 0.553218 Cl\n0.860847 0.550011 0.832395 Cl\n0.405695 0.587532 0.338063 Cl\n0.112703 0.526114 0.598807 Cl\n0.627227 0.696491 0.524856 Cl\n0.170335 0.886448 0.446782 Cl\n0.139154 0.449990 0.167605 Cl\n0.411185 0.392992 0.909157 Cl\n0.386300 0.950021 0.632020 Cl\n0.882909 0.836981 0.690947 Cl\n0.906134 0.284790 0.970967 Cl\n0.375697 0.708885 0.777326 Cl\n0.588816 0.607009 0.090843 Cl\n0.865811 0.033127 0.121267 Cl\n0.134593 0.259560 0.729967 Cl\n0.338781 0.869241 0.195863 Cl\n0.618275 0.852473 0.943840 Cl\n0.594306 0.412469 0.661937 Cl\n0.887298 0.473887 0.401193 Cl\n0.372774 0.303510 0.475144 Cl\n",
"nsites": 36,
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"elements": [
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"Cl"
],
"chemical_system": "Al-Cl-Te",
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"formula_full": "Al4 Te4 Cl28",
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},
{
"id": "jvasp-109019",
"created_at": "2022-09-04T14:37:47.264829Z",
"updated_at": "2022-09-04T14:37:47.264851Z",
"structure_string": "Al2 Tc6\n1.0\n5.413882 -0.000000 0.000000\n-2.706941 4.688559 0.000000\n-0.000000 -0.000000 4.536912\nAl Tc\n2 6\ndirect\n0.333333 0.666667 0.750000 Al\n0.666666 0.333333 0.250000 Al\n0.170774 0.341549 0.250000 Tc\n0.658451 0.829226 0.250000 Tc\n0.170774 0.829226 0.250000 Tc\n0.829226 0.658451 0.750000 Tc\n0.341549 0.170774 0.750000 Tc\n0.829226 0.170774 0.750000 Tc\n",
"nsites": 8,
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"chemical_system": "Al-Tc",
"density": 9.256581320566921,
"density_atomic": 0.06946746648575604,
"volume": 115.16182185282892,
"volume_molar": 8.669008767197248,
"formula_full": "Al2 Tc6",
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},
{
"id": "jvasp-77284",
"created_at": "2022-09-04T14:37:52.385210Z",
"updated_at": "2022-09-04T14:37:52.385218Z",
"structure_string": "Al1 Tc2 Sb1\n1.0\n-8.749214 0.000000 -5.051361\n-9.128484 -0.015101 5.708277\n-5.952113 8.969029 0.206642\nAl Tc Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.752156 -0.000000 -0.000000 Tc\n0.247844 -0.000000 -0.000000 Tc\n0.500000 -0.000000 -0.000000 Sb\n",
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"formula_full": "Al1 Tc2 Sb1",
"formula_reduced": "AlTc2Sb",
"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-81881",
"created_at": "2022-09-04T14:37:18.223868Z",
"updated_at": "2022-09-04T14:37:18.223898Z",
"structure_string": "Al1 Tc2 Sb1\n1.0\n-9.509425 0.000002 -5.490268\n-6.050551 -0.444119 -0.500676\n-4.977298 2.591497 -2.359604\nAl Tc Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.748877 0.000000 -0.000000 Tc\n0.251124 0.000000 -0.000000 Tc\n0.500000 0.000000 -0.000000 Sb\n",
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"formula_full": "Al1 Tc2 Sb1",
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{
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"created_at": "2022-09-04T14:37:17.572079Z",
"updated_at": "2022-09-04T14:37:17.572099Z",
"structure_string": "Al1 Tc2 Pb1\n1.0\n0.000000 3.254445 3.254444\n3.254444 0.000000 3.254444\n3.254443 3.254445 0.000001\nAl Tc Pb\n1 2 1\ndirect\n0.499999 0.500000 0.499999 Al\n0.000000 0.000000 0.000000 Tc\n0.749999 0.749999 0.749999 Tc\n0.250000 0.250000 0.250000 Pb\n",
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},
{
"id": "jvasp-35798",
"created_at": "2022-09-04T14:37:29.450772Z",
"updated_at": "2022-09-04T14:37:29.450791Z",
"structure_string": "Al1 Tc2\n1.0\n2.984731 -0.000000 -0.000000\n0.000000 2.984731 -0.000000\n-1.492365 -1.492365 4.786199\nAl Tc\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.669487 0.669487 0.338976 Tc\n0.330511 0.330511 0.661024 Tc\n",
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{
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"created_at": "2022-09-04T14:38:48.716812Z",
"updated_at": "2022-09-04T14:38:48.716835Z",
"structure_string": "Al1 S1 O2\n1.0\n2.670088 0.000000 -0.000000\n0.000000 2.670088 0.000000\n0.000000 0.000000 6.697251\nAl S O\n1 1 2\ndirect\n0.500001 0.500001 0.585504 Al\n0.000000 0.000000 0.058623 S\n0.000000 0.000000 0.521404 O\n0.500001 0.500001 0.844469 O\n",
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"formula_full": "Al1 S1 O2",
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}
]
}