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{
"id": "jvasp-23849",
"created_at": "2022-09-04T14:37:41.843847Z",
"updated_at": "2022-09-04T14:37:41.843878Z",
"structure_string": "Sm4 Mn4 B16\n1.0\n3.497428 0.000000 0.000000\n0.000000 5.957526 -0.000000\n0.000000 -0.000000 11.524372\nSm Mn B\n4 4 16\ndirect\n0.000000 0.376494 0.651045 Sm\n0.000000 0.623507 0.348955 Sm\n0.000000 0.876494 0.848955 Sm\n0.000000 0.123506 0.151045 Sm\n0.000000 0.376426 0.918165 Mn\n0.000000 0.623574 0.081834 Mn\n0.000000 0.876427 0.581834 Mn\n0.000000 0.123574 0.418166 Mn\n0.500000 0.641638 0.532759 B\n0.500000 0.358363 0.467241 B\n0.500000 0.222764 0.818014 B\n0.500000 0.777237 0.181986 B\n0.500000 0.722764 0.681986 B\n0.500000 0.277236 0.318014 B\n0.500000 0.111374 0.545569 B\n0.500000 0.475418 0.188841 B\n0.500000 0.611375 0.954431 B\n0.500000 0.388626 0.045569 B\n0.500000 0.858363 0.032759 B\n0.500000 0.524582 0.811159 B\n0.500000 0.975419 0.311159 B\n0.500000 0.024582 0.688841 B\n0.500000 0.888626 0.454431 B\n0.500000 0.141637 0.967241 B\n",
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"formula_full": "Sm4 Mn4 B16",
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"spacegroup": 55
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{
"id": "jvasp-56738",
"created_at": "2022-09-04T14:38:20.368751Z",
"updated_at": "2022-09-04T14:38:20.368771Z",
"structure_string": "Sm4 Mn2 Ni2 O12\n1.0\n0.000000 5.331990 -0.000372\n5.567448 0.000000 0.000000\n0.000000 -5.297684 -7.613791\nSm Mn Ni O\n4 2 2 12\ndirect\n0.765507 0.437340 0.250539 Sm\n0.765508 0.062660 0.750539 Sm\n0.234493 0.562661 0.749460 Sm\n0.234492 0.937340 0.249460 Sm\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.259777 0.288371 0.952616 O\n0.740224 0.788371 0.547384 O\n0.259776 0.211629 0.452616 O\n0.654946 0.478011 0.743707 O\n0.837146 0.195612 0.045060 O\n0.162855 0.804388 0.954940 O\n0.345054 0.521989 0.256293 O\n0.837146 0.304388 0.545060 O\n0.162854 0.695612 0.454940 O\n0.345054 0.978011 0.756293 O\n0.654946 0.021989 0.243707 O\n0.740224 0.711630 0.047384 O\n",
"nsites": 20,
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"elements": [
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"Mn",
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"O"
],
"chemical_system": "Mn-Ni-O-Sm",
"density": 7.498559631919712,
"density_atomic": 0.08848353541353687,
"volume": 226.03075144463827,
"volume_molar": 6.805945006440924,
"formula_full": "Sm4 Mn2 Ni2 O12",
"formula_reduced": "Sm2MnNiO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 14
},
{
"id": "jvasp-55023",
"created_at": "2022-09-04T14:37:44.033742Z",
"updated_at": "2022-09-04T14:37:44.033762Z",
"structure_string": "Sm4 Mg3 Co2\n1.0\n0.000000 7.542864 -0.014700\n3.753562 0.000000 0.000000\n0.000000 -2.777900 -7.749114\nSm Mg Co\n4 3 2\ndirect\n0.602659 0.500000 0.822232 Sm\n0.095581 0.500000 0.724118 Sm\n0.397341 0.500000 0.177768 Sm\n0.904418 0.500000 0.275882 Sm\n0.704743 0.000000 0.497603 Mg\n0.000000 0.000000 0.000000 Mg\n0.295257 0.000000 0.502396 Mg\n0.651892 0.000000 0.108556 Co\n0.348107 0.000000 0.891443 Co\n",
"nsites": 9,
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"elements": [
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"Mg",
"Co"
],
"chemical_system": "Co-Mg-Sm",
"density": 5.991843153371662,
"density_atomic": 0.040992771735845916,
"volume": 219.55090175397916,
"volume_molar": 14.690738159415483,
"formula_full": "Sm4 Mg3 Co2",
"formula_reduced": "Sm4Mg3Co2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.314521605555556,
"spacegroup": 10
},
{
"id": "jvasp-100303",
"created_at": "2022-09-04T14:36:37.316770Z",
"updated_at": "2022-09-04T14:36:37.316781Z",
"structure_string": "Sm4 Mg2 Si4\n1.0\n7.291902 0.000000 -0.000000\n0.000000 7.291902 0.000000\n0.000000 0.000000 4.316648\nSm Mg Si\n4 2 4\ndirect\n0.679384 0.179384 0.500000 Sm\n0.320616 0.820616 0.500000 Sm\n0.179384 0.320616 0.500000 Sm\n0.820616 0.679384 0.500000 Sm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.117100 0.617100 0.000000 Si\n0.882900 0.382900 0.000000 Si\n0.617100 0.882900 0.000000 Si\n0.382900 0.117100 0.000000 Si\n",
"nsites": 10,
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"elements": [
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"Si"
],
"chemical_system": "Mg-Si-Sm",
"density": 5.515681062614238,
"density_atomic": 0.04356841068349107,
"volume": 229.52409424907475,
"volume_molar": 13.822264033794347,
"formula_full": "Sm4 Mg2 Si4",
"formula_reduced": "Sm2MgSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6657107999999994,
"spacegroup": 127
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{
"id": "jvasp-108034",
"created_at": "2022-09-04T14:38:28.004432Z",
"updated_at": "2022-09-04T14:38:28.004465Z",
"structure_string": "Sm4 Mg2 Pd4\n1.0\n7.683550 -0.000000 0.000000\n0.000000 7.683550 0.000000\n-0.000000 0.000000 3.927372\nSm Mg Pd\n4 2 4\ndirect\n0.669751 0.169751 0.500000 Sm\n0.330249 0.830249 0.500000 Sm\n0.169751 0.330249 0.500000 Sm\n0.830249 0.669751 0.500000 Sm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.132040 0.632040 -0.000000 Pd\n0.867960 0.367960 -0.000000 Pd\n0.632040 0.867960 -0.000000 Pd\n0.367960 0.132040 -0.000000 Pd\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Mg-Pd-Sm",
"density": 7.7041813091593445,
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"volume": 231.86002748792166,
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"formula_full": "Sm4 Mg2 Pd4",
"formula_reduced": "Sm2MgPd2",
"formula_anonymous": "AB2C2",
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"spacegroup": 127
},
{
"id": "jvasp-106648",
"created_at": "2022-09-04T14:37:02.085552Z",
"updated_at": "2022-09-04T14:37:02.085572Z",
"structure_string": "Sm4 Mg2 Ni4\n1.0\n7.402045 -0.000000 0.000000\n0.000000 7.402045 0.000000\n-0.000000 -0.000000 3.792368\nSm Mg Ni\n4 2 4\ndirect\n0.673183 0.173182 0.500000 Sm\n0.326818 0.826818 0.500000 Sm\n0.173182 0.326818 0.500000 Sm\n0.826818 0.673183 0.500000 Sm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.121463 0.621463 -0.000000 Ni\n0.878538 0.378537 -0.000000 Ni\n0.621463 0.878538 -0.000000 Ni\n0.378537 0.121463 -0.000000 Ni\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"chemical_system": "Mg-Ni-Sm",
"density": 7.071179790860814,
"density_atomic": 0.04812670011802033,
"volume": 207.7848673496658,
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"formula_full": "Sm4 Mg2 Ni4",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 0.8290683200000001,
"spacegroup": 127
},
{
"id": "jvasp-37537",
"created_at": "2022-09-04T14:38:09.651165Z",
"updated_at": "2022-09-04T14:38:09.651199Z",
"structure_string": "Sm4 Mg2 Ir2 O12\n1.0\n0.000000 5.403398 -0.007046\n5.754971 0.000000 0.000000\n0.000000 -5.361674 -7.758351\nSm Mg Ir O\n4 2 2 12\ndirect\n0.268923 0.430788 0.249166 Sm\n0.731079 0.930787 0.250834 Sm\n0.268923 0.069212 0.749166 Sm\n0.731079 0.569212 0.750834 Sm\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500001 0.500000 0.000000 Ir\n0.500001 0.000000 0.500000 Ir\n0.145111 0.465814 0.751240 O\n0.854891 0.965814 0.748760 O\n0.365306 0.300121 0.553940 O\n0.246885 0.801976 0.553428 O\n0.753117 0.198024 0.446573 O\n0.365306 0.199879 0.053940 O\n0.145111 0.034186 0.251240 O\n0.854890 0.534186 0.248760 O\n0.634696 0.800121 0.946061 O\n0.246884 0.698023 0.053428 O\n0.634695 0.699878 0.446061 O\n0.753117 0.301976 0.946573 O\n",
"nsites": 20,
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"elements": [
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"Ir",
"O"
],
"chemical_system": "Ir-Mg-O-Sm",
"density": 8.434080017822785,
"density_atomic": 0.08282458676101247,
"volume": 241.47418999758273,
"volume_molar": 7.270957810362137,
"formula_full": "Sm4 Mg2 Ir2 O12",
"formula_reduced": "Sm2MgIrO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 14
},
{
"id": "jvasp-40635",
"created_at": "2022-09-04T14:37:59.490560Z",
"updated_at": "2022-09-04T14:37:59.490581Z",
"structure_string": "Sm4 Mg2 Ge4\n1.0\n7.367204 0.000000 -0.000000\n0.000000 7.367204 0.000000\n0.000000 -0.000000 4.327526\nSm Mg Ge\n4 2 4\ndirect\n0.178050 0.321950 0.500000 Sm\n0.321950 0.821949 0.500000 Sm\n0.678050 0.178050 0.500000 Sm\n0.821949 0.678050 0.500000 Sm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.122788 0.622787 0.000000 Ge\n0.377212 0.122788 0.000000 Ge\n0.622787 0.877212 0.000000 Ge\n0.877212 0.377212 0.000000 Ge\n",
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"volume": 234.87948031819747,
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"formula_full": "Sm4 Mg2 Ge4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 127
},
{
"id": "jvasp-104653",
"created_at": "2022-09-04T14:36:58.448314Z",
"updated_at": "2022-09-04T14:36:58.448336Z",
"structure_string": "Sm4 Mg2 Cu4\n1.0\n7.686624 -0.000000 0.000000\n0.000000 7.686624 0.000000\n-0.000000 -0.000000 3.770181\nSm Mg Cu\n4 2 4\ndirect\n0.670574 0.170574 0.500000 Sm\n0.329425 0.829425 0.500000 Sm\n0.170574 0.329425 0.500000 Sm\n0.829425 0.670574 0.500000 Sm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.123127 0.623127 -0.000000 Cu\n0.876872 0.376872 -0.000000 Cu\n0.623127 0.876872 -0.000000 Cu\n0.376872 0.123127 -0.000000 Cu\n",
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"volume": 222.75808494862918,
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"formula_full": "Sm4 Mg2 Cu4",
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"spacegroup": 127
},
{
"id": "jvasp-111297",
"created_at": "2022-09-04T14:38:49.598453Z",
"updated_at": "2022-09-04T14:38:49.598475Z",
"structure_string": "Sm4 Mg2\n1.0\n7.021448 0.120746 1.805392\n6.024597 3.608261 1.805392\n0.009073 0.002593 7.255624\nSm Mg\n4 2\ndirect\n0.839783 0.839783 0.580086 Sm\n0.160217 0.160217 0.419913 Sm\n0.839789 0.839790 0.080092 Sm\n0.160211 0.160210 0.919907 Sm\n0.499995 0.499994 0.749985 Mg\n0.500006 0.500006 0.250013 Mg\n",
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},
{
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"created_at": "2022-09-04T14:37:57.901745Z",
"updated_at": "2022-09-04T14:37:57.901761Z",
"structure_string": "Sm4 Mg2\n1.0\n3.738507 -0.000000 0.000000\n1.869254 8.612830 0.000000\n0.000000 0.000000 5.536861\nSm Mg\n4 2\ndirect\n0.979258 0.041488 0.000000 Sm\n0.660614 0.678773 0.000000 Sm\n0.798522 0.402956 0.499999 Sm\n0.117162 0.765671 0.499999 Sm\n0.321230 0.357537 0.000000 Mg\n0.456545 0.086908 0.499999 Mg\n",
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"spacegroup": 63
},
{
"id": "jvasp-52486",
"created_at": "2022-09-04T14:36:37.290769Z",
"updated_at": "2022-09-04T14:36:37.290794Z",
"structure_string": "Sm4 In4 O12\n1.0\n5.606476 0.000000 0.000000\n0.000000 5.943410 0.000000\n0.000000 0.000000 8.189593\nSm In O\n4 4 12\ndirect\n0.978413 0.065322 0.250000 Sm\n0.478413 0.434678 0.750000 Sm\n0.521588 0.565322 0.250000 Sm\n0.021587 0.934678 0.750000 Sm\n0.500000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.811747 0.807628 0.069057 O\n0.311747 0.692372 0.569057 O\n0.311747 0.692372 0.930943 O\n0.865628 0.559851 0.750000 O\n0.134372 0.440149 0.250000 O\n0.188253 0.192372 0.569057 O\n0.688254 0.307628 0.430943 O\n0.188253 0.192372 0.930943 O\n0.811747 0.807628 0.430943 O\n0.634373 0.059851 0.750000 O\n0.688254 0.307628 0.069057 O\n0.365628 0.940149 0.250000 O\n",
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"O"
],
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"volume": 272.8902235493725,
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"formula_full": "Sm4 In4 O12",
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"spacegroup": 62
}
]
}