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{
"id": "jvasp-94754",
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"structure_string": "Mg6 Al1 Si1\n1.0\n6.140281 -0.041377 0.000000\n-3.105975 5.296952 0.000000\n0.000000 0.000000 5.081168\nMg Al Si\n6 1 1\ndirect\n0.166564 0.846000 0.250000 Mg\n0.654000 0.333435 0.250000 Mg\n0.665817 0.834182 0.250000 Mg\n0.335293 0.657601 0.750000 Mg\n0.842398 0.164706 0.750000 Mg\n0.835105 0.664894 0.750000 Mg\n0.158962 0.341038 0.250000 Al\n0.341860 0.158139 0.750000 Si\n",
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{
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"structure_string": "Mg6 Co1 Sb1\n1.0\n6.403108 -0.108732 0.000000\n-3.295718 5.490888 0.000000\n0.000000 0.000000 4.771577\nMg Co Sb\n6 1 1\ndirect\n0.167251 0.812842 0.250000 Mg\n0.687158 0.332749 0.250000 Mg\n0.668551 0.831450 0.250000 Mg\n0.327205 0.636195 0.750000 Mg\n0.863805 0.172795 0.750000 Mg\n0.832722 0.667279 0.750000 Mg\n0.121463 0.378537 0.250000 Co\n0.331845 0.168155 0.750000 Sb\n",
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{
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"created_at": "2022-09-04T14:35:53.194800Z",
"updated_at": "2022-09-04T14:35:53.194825Z",
"structure_string": "Mg6 Fe1 Si1\n1.0\n6.038016 -0.023396 0.000000\n-3.039269 5.264169 0.000000\n0.000000 0.000000 4.804767\nMg Fe Si\n6 1 1\ndirect\n0.667533 0.332225 0.250000 Mg\n0.667533 0.835306 0.250000 Mg\n0.325427 0.170002 0.750001 Mg\n0.325427 0.655424 0.750001 Mg\n0.847891 0.173945 0.750001 Mg\n0.839611 0.669805 0.750001 Mg\n0.165132 0.332565 0.250000 Fe\n0.161450 0.830725 0.250000 Si\n",
"nsites": 8,
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"elements": [
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"volume": 152.37852435425057,
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"formula_full": "Mg6 Fe1 Si1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94231",
"created_at": "2022-09-04T14:35:53.359439Z",
"updated_at": "2022-09-04T14:35:53.359458Z",
"structure_string": "Mg6 Ga1 Fe1\n1.0\n6.095578 0.020930 0.000000\n-3.029664 5.289389 0.000000\n0.000000 0.000000 4.801046\nMg Ga Fe\n6 1 1\ndirect\n0.168098 0.841227 0.250000 Mg\n0.658774 0.331902 0.250000 Mg\n0.665572 0.834429 0.250000 Mg\n0.327997 0.646660 0.750001 Mg\n0.853341 0.172004 0.750001 Mg\n0.834213 0.665788 0.750001 Mg\n0.322691 0.177309 0.750001 Ga\n0.169315 0.330685 0.250000 Fe\n",
"nsites": 8,
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"density": 2.9056692296109783,
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"formula_full": "Mg6 Ga1 Fe1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94768",
"created_at": "2022-09-04T14:35:53.633559Z",
"updated_at": "2022-09-04T14:35:53.633580Z",
"structure_string": "Rb1 Mg6 Al1\n1.0\n6.743757 -0.628020 0.000000\n-3.915788 6.782016 0.000000\n0.000000 0.000000 4.991130\nRb Mg Al\n1 6 1\ndirect\n0.276535 0.888232 0.250000 Rb\n0.722263 0.401485 0.250000 Mg\n0.722372 0.820864 0.250000 Mg\n0.293212 0.205069 0.750000 Mg\n0.293266 0.588136 0.750000 Mg\n0.773779 0.136885 0.750000 Mg\n0.814757 0.657405 0.750000 Mg\n0.103823 0.301925 0.250000 Al\n",
"nsites": 8,
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"elements": [
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],
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"density": 1.985555286822194,
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"spacegroup": 38
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{
"id": "jvasp-92854",
"created_at": "2022-09-04T14:35:53.660504Z",
"updated_at": "2022-09-04T14:35:53.660529Z",
"structure_string": "Mg6 Nb1 W1\n1.0\n6.236664 -0.136861 0.000000\n-3.236857 5.332679 0.000000\n0.000000 0.000000 4.802721\nMg Nb W\n6 1 1\ndirect\n0.183738 0.834068 0.250000 Mg\n0.665932 0.316262 0.250000 Mg\n0.669336 0.830664 0.250000 Mg\n0.318410 0.668049 0.750000 Mg\n0.831951 0.181589 0.750000 Mg\n0.828833 0.671166 0.750000 Mg\n0.190802 0.309198 0.250000 Nb\n0.310994 0.189006 0.750000 W\n",
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"density_atomic": 0.05076080848099588,
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{
"id": "jvasp-94135",
"created_at": "2022-09-04T14:35:53.642468Z",
"updated_at": "2022-09-04T14:35:53.642488Z",
"structure_string": "Mg6 Ga1 Cu1\n1.0\n6.090748 0.017482 0.000000\n-3.030234 5.283483 0.000000\n0.000000 0.000000 4.946707\nMg Ga Cu\n6 1 1\ndirect\n0.164166 0.846269 0.250000 Mg\n0.653731 0.335834 0.250000 Mg\n0.663034 0.836965 0.250000 Mg\n0.335183 0.639998 0.750000 Mg\n0.860002 0.164817 0.750000 Mg\n0.838859 0.661140 0.750000 Mg\n0.346261 0.153738 0.750000 Ga\n0.138768 0.361232 0.250000 Cu\n",
"nsites": 8,
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"elements": [
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"Ga",
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],
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"density": 2.9066042716974096,
"density_atomic": 0.050172820580018096,
"volume": 159.44887904480484,
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"formula_full": "Mg6 Ga1 Cu1",
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"formula_anonymous": "ABC6",
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{
"id": "jvasp-92922",
"created_at": "2022-09-04T14:35:56.451469Z",
"updated_at": "2022-09-04T14:35:56.451504Z",
"structure_string": "Mg6 Bi1 W1\n1.0\n6.238945 -0.017644 0.000000\n-3.134753 5.429551 0.000000\n0.000000 0.000000 5.041184\nMg Bi W\n6 1 1\ndirect\n0.668383 0.328965 0.250000 Mg\n0.668384 0.839418 0.250000 Mg\n0.327789 0.183309 0.749999 Mg\n0.327789 0.644481 0.749999 Mg\n0.855535 0.177768 0.749999 Mg\n0.812294 0.656147 0.749999 Mg\n0.158278 0.829138 0.250000 Bi\n0.181551 0.340775 0.250000 W\n",
"nsites": 8,
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],
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"formula_full": "Mg6 Bi1 W1",
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"spacegroup": 38
},
{
"id": "jvasp-93143",
"created_at": "2022-09-04T14:35:53.949142Z",
"updated_at": "2022-09-04T14:35:53.949166Z",
"structure_string": "Na1 Mg6 Si1\n1.0\n6.364231 0.030546 0.000000\n-3.155662 5.465766 0.000000\n0.000000 0.000000 5.079176\nNa Mg Si\n1 6 1\ndirect\n0.166890 0.833444 0.250000 Na\n0.667780 0.336373 0.250000 Mg\n0.667780 0.831408 0.250000 Mg\n0.327964 0.171430 0.750001 Mg\n0.327964 0.656536 0.750001 Mg\n0.835876 0.167939 0.750001 Mg\n0.827371 0.663687 0.750001 Mg\n0.178378 0.339188 0.250000 Si\n",
"nsites": 8,
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"spacegroup": 38
},
{
"id": "jvasp-94245",
"created_at": "2022-09-04T14:35:54.114382Z",
"updated_at": "2022-09-04T14:35:54.114420Z",
"structure_string": "Ce1 Mg6 Fe1\n1.0\n6.892278 -0.373739 0.000000\n-3.769806 5.782018 0.000000\n0.000000 0.000000 4.678605\nCe Mg Fe\n1 6 1\ndirect\n0.283093 0.216907 0.749999 Ce\n0.176148 0.843189 0.250000 Mg\n0.656812 0.323852 0.250000 Mg\n0.685377 0.814623 0.250000 Mg\n0.317303 0.691255 0.749999 Mg\n0.808745 0.182696 0.749999 Mg\n0.845593 0.654407 0.749999 Mg\n0.226927 0.273073 0.250000 Fe\n",
"nsites": 8,
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],
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"density": 3.1556104771394575,
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"volume": 179.85657996254596,
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},
{
"id": "jvasp-44035",
"created_at": "2022-09-04T14:35:54.193487Z",
"updated_at": "2022-09-04T14:35:54.193512Z",
"structure_string": "Co6 O3 F9\n1.0\n4.613252 -0.123533 0.000000\n-0.123533 4.613252 0.000000\n0.000000 0.000000 8.958674\nCo O F\n6 3 9\ndirect\n0.953442 0.953442 0.000000 Co\n0.034139 0.034139 0.335610 Co\n0.034139 0.034139 0.664390 Co\n0.492925 0.492925 0.168603 Co\n0.492925 0.492925 0.831397 Co\n0.499123 0.499123 0.500000 Co\n0.320575 0.320575 0.662827 O\n0.665273 0.665273 0.000000 O\n0.320575 0.320575 0.337172 O\n0.787865 0.196285 0.831213 F\n0.196285 0.787865 0.168787 F\n0.196285 0.787865 0.831213 F\n0.221272 0.796967 0.500000 F\n0.269104 0.269104 0.000000 F\n0.715620 0.715620 0.660735 F\n0.715620 0.715620 0.339265 F\n0.787865 0.196285 0.168787 F\n0.796967 0.221272 0.500000 F\n",
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{
"id": "jvasp-93090",
"created_at": "2022-09-04T14:35:54.197877Z",
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"structure_string": "Mg6 Ga1 Si1\n1.0\n6.137309 -0.061782 0.000000\n-3.122160 5.284174 0.000000\n0.000000 0.000000 5.097184\nMg Ga Si\n6 1 1\ndirect\n0.159102 0.853602 0.250000 Mg\n0.646397 0.340897 0.250000 Mg\n0.659390 0.840610 0.250000 Mg\n0.338435 0.642011 0.749999 Mg\n0.857989 0.161565 0.749999 Mg\n0.838787 0.661213 0.749999 Mg\n0.360176 0.139824 0.749999 Ga\n0.139723 0.360277 0.250000 Si\n",
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}
]
}