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{
"id": "jvasp-117371",
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"structure_string": "Sm2 Ga2 Fe15 C2\n1.0\n6.398149 -0.012205 0.802546\n0.678717 6.362060 0.802546\n-0.004556 -0.004088 6.532044\nSm Ga Fe C\n2 2 15 2\ndirect\n0.343683 0.343682 0.323446 Sm\n0.653266 0.653265 0.671006 Sm\n0.336649 0.837685 0.337466 Ga\n0.837685 0.336648 0.337466 Ga\n0.343767 0.343767 0.854671 Fe\n0.152830 0.658537 0.667833 Fe\n0.658537 0.152830 0.667833 Fe\n0.663366 0.663365 0.131814 Fe\n0.995131 0.995130 0.510911 Fe\n0.496859 0.003079 0.999573 Fe\n0.003080 0.496859 0.999573 Fe\n0.276914 0.722636 0.993494 Fe\n0.005557 0.288671 0.710490 Fe\n0.722636 0.276913 0.993494 Fe\n0.990365 0.709150 0.285755 Fe\n0.288671 0.005557 0.710490 Fe\n0.902381 0.902380 0.906820 Fe\n0.092970 0.092970 0.091011 Fe\n0.709151 0.990364 0.285755 Fe\n0.512618 0.013884 0.510554 C\n0.013885 0.512618 0.510554 C\n",
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{
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"structure_string": "Sm2 Ga3 Fe14 C2\n1.0\n6.455406 0.017019 0.704723\n0.695744 6.417827 0.704723\n0.009456 0.008509 6.489862\nSm Ga Fe C\n2 3 14 2\ndirect\n0.351097 0.351097 0.332996 Sm\n0.648904 0.648904 0.667003 Sm\n0.000000 0.000000 0.500000 Ga\n-0.000000 0.500000 -0.000000 Ga\n0.500000 0.000000 -0.000000 Ga\n0.284801 0.715199 -0.000000 Fe\n0.001338 0.284716 0.714540 Fe\n0.715285 0.998663 0.285459 Fe\n0.998662 0.715285 0.285459 Fe\n0.284716 0.001338 0.714540 Fe\n0.715199 0.284802 -0.000001 Fe\n0.849812 0.347394 0.344237 Fe\n0.345424 0.345424 0.846945 Fe\n0.150188 0.652607 0.655762 Fe\n0.652607 0.150188 0.655761 Fe\n0.654576 0.654577 0.153054 Fe\n0.908068 0.908068 0.905197 Fe\n0.091933 0.091933 0.094801 Fe\n0.347394 0.849812 0.344237 Fe\n0.500001 0.000000 0.500000 C\n-0.000000 0.500000 0.500000 C\n",
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{
"id": "jvasp-116551",
"created_at": "2022-09-04T14:38:32.139141Z",
"updated_at": "2022-09-04T14:38:32.139161Z",
"structure_string": "Sm6 Ga2 Co2 S14\n1.0\n9.654666 0.000000 0.000000\n-4.827334 8.361186 0.000000\n0.000000 -0.000000 6.212976\nSm Ga Co S\n6 2 2 14\ndirect\n0.163733 0.374761 0.826259 Sm\n0.211029 0.836268 0.826259 Sm\n0.625240 0.788972 0.826259 Sm\n0.836268 0.625240 0.326258 Sm\n0.788972 0.163732 0.326258 Sm\n0.374761 0.211028 0.326258 Sm\n0.666667 0.333334 0.901426 Ga\n0.333334 0.666667 0.401426 Ga\n0.000000 0.000000 0.490228 Co\n0.000000 0.000000 -0.009773 Co\n0.123775 0.900852 0.235067 S\n0.900852 0.777078 0.735067 S\n0.222923 0.123774 0.735067 S\n0.876226 0.099149 0.735067 S\n0.333334 0.666667 0.038349 S\n0.666667 0.333334 0.538349 S\n0.083706 0.558708 0.548996 S\n0.916295 0.441293 0.048996 S\n0.558708 0.475002 0.048996 S\n0.475003 0.916295 0.548996 S\n0.777078 0.876226 0.235067 S\n0.441293 0.524998 0.548996 S\n0.524998 0.083705 0.048996 S\n0.099149 0.222923 0.235067 S\n",
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"formula_full": "Sm6 Ga2 Co2 S14",
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{
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"structure_string": "Sm2 Fe2 Si2 C1\n1.0\n0.000000 -3.974566 -0.000000\n4.155410 -1.987283 -3.406733\n4.172100 -1.987283 3.486785\nSm Fe Si C\n2 2 2 1\ndirect\n0.440754 0.821759 0.296734 Sm\n0.559246 0.178241 0.703266 Sm\n0.802662 0.304526 0.090151 Fe\n0.197337 0.695475 0.909849 Fe\n0.829025 0.612218 0.729732 Si\n0.170974 0.387783 0.270268 Si\n0.000000 0.000000 0.000000 C\n",
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"formula_full": "Sm2 Fe2 Si2 C1",
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{
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"created_at": "2022-09-04T14:38:27.042767Z",
"updated_at": "2022-09-04T14:38:27.042786Z",
"structure_string": "Sm2 Fe4 Si2 C2\n1.0\n5.589361 -0.011117 0.000000\n-4.267923 3.609143 0.000000\n-0.000000 -0.000000 6.750169\nSm Fe Si C\n2 4 2 2\ndirect\n0.553228 0.446770 0.250000 Sm\n0.446771 0.553228 0.750000 Sm\n0.835138 0.164860 0.063596 Fe\n0.164861 0.835138 0.936404 Fe\n0.164861 0.835138 0.563596 Fe\n0.835138 0.164860 0.436404 Fe\n0.272252 0.727747 0.250000 Si\n0.727747 0.272251 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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"volume": 135.84955842178607,
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"formula_full": "Sm2 Fe4 Si2 C2",
"formula_reduced": "SmFe2SiC",
"formula_anonymous": "ABCD2",
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"spacegroup": 63
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{
"id": "jvasp-90242",
"created_at": "2022-09-04T14:36:08.650839Z",
"updated_at": "2022-09-04T14:36:08.650864Z",
"structure_string": "Sm2 Fe2 Se2 O3\n1.0\n3.975668 -0.000000 0.000000\n-0.000000 3.975668 0.000000\n-1.987835 -1.987835 9.329493\nSm Fe Se O\n2 2 2 3\ndirect\n0.312809 0.312809 0.625617 Sm\n0.687192 0.687192 0.374383 Sm\n-0.000000 0.500000 -0.000000 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.900603 0.900603 0.801204 Se\n0.099398 0.099398 0.198796 Se\n0.750001 0.250001 0.500000 O\n0.250001 0.750001 0.500000 O\n0.500000 0.500000 -0.000000 O\n",
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{
"id": "jvasp-59598",
"created_at": "2022-09-04T14:37:11.485082Z",
"updated_at": "2022-09-04T14:37:11.485100Z",
"structure_string": "Sm8 Fe2 Se12 O2\n1.0\n4.747208 -8.222404 -0.000000\n4.747208 8.222404 0.000000\n-0.000000 -0.000000 6.916233\nSm Fe Se O\n8 2 12 2\ndirect\n0.666667 0.333333 0.709709 Sm\n0.333333 0.666667 0.209709 Sm\n0.200044 0.799957 0.659174 Sm\n0.400088 0.200043 0.159175 Sm\n0.799957 0.599913 0.159175 Sm\n0.200043 0.400088 0.659174 Sm\n0.599913 0.799957 0.659174 Sm\n0.799957 0.200044 0.159175 Sm\n0.000000 0.000000 0.492830 Fe\n0.000000 0.000000 0.992830 Fe\n0.875200 0.750400 0.765775 Se\n0.750400 0.875200 0.265775 Se\n0.124800 0.249600 0.265775 Se\n0.875200 0.124801 0.765775 Se\n0.249600 0.124800 0.765775 Se\n0.124801 0.875200 0.265775 Se\n0.469292 0.938585 0.947284 Se\n0.938585 0.469292 0.447285 Se\n0.530708 0.061415 0.447285 Se\n0.061415 0.530708 0.947284 Se\n0.530708 0.469292 0.447285 Se\n0.469292 0.530708 0.947284 Se\n0.666667 0.333333 0.043119 O\n0.333333 0.666667 0.543118 O\n",
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"structure_string": "Sm2 Fe2 P2 O2\n1.0\n3.879807 -0.000000 0.000000\n0.000000 3.879807 -0.000000\n0.000000 0.000000 8.114102\nSm Fe P O\n2 2 2 2\ndirect\n0.750002 0.750002 0.851710 Sm\n0.250000 0.250000 0.148289 Sm\n0.250000 0.750002 0.500000 Fe\n0.750002 0.250000 0.500000 Fe\n0.750002 0.750002 0.366528 P\n0.250000 0.250000 0.633471 P\n0.250000 0.750002 0.000000 O\n0.750002 0.250000 0.000000 O\n",
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{
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"structure_string": "Sm2 Fe5 Co12 C1\n1.0\n6.313209 0.003924 0.716150\n0.609899 6.237503 0.681604\n0.012875 0.003924 6.353685\nSm Fe Co C\n2 5 12 1\ndirect\n0.659882 0.640014 0.659882 Sm\n0.340119 0.359984 0.340119 Sm\n0.904332 0.901688 0.904331 Fe\n0.095669 0.098310 0.095669 Fe\n0.000000 0.500000 -0.000000 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n0.716990 0.283263 0.999749 Co\n0.000252 0.716735 0.283011 Co\n0.283011 0.716735 0.000251 Co\n0.999749 0.283263 0.716989 Co\n0.717285 -0.000001 0.282716 Co\n0.342722 0.348774 0.856396 Co\n0.143605 0.651224 0.657279 Co\n0.655341 0.145654 0.655341 Co\n0.282716 -0.000001 0.717285 Co\n0.856396 0.348774 0.342721 Co\n0.344660 0.854344 0.344659 Co\n0.657279 0.651224 0.143604 Co\n0.500001 -0.000001 0.500000 C\n",
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{
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"structure_string": "Sm2 Fe2 As2 O2\n1.0\n-2.793890 -2.793878 -0.000000\n-2.793890 2.793878 0.000000\n0.000000 -0.000000 -8.285860\nSm Fe As O\n2 2 2 2\ndirect\n0.250000 0.750000 0.141834 Sm\n0.750000 0.250000 0.858166 Sm\n0.250000 0.250000 0.500000 Fe\n0.750000 0.750000 0.500000 Fe\n0.250000 0.750000 0.649140 As\n0.750000 0.250000 0.350860 As\n0.250000 0.250000 0.000000 O\n0.750000 0.750000 0.000000 O\n",
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{
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"structure_string": "Sm2 Fe2 As2 O2\n1.0\n3.951865 -0.000000 0.000000\n0.000000 3.951865 0.000000\n-0.000000 -0.000000 8.273094\nSm Fe As O\n2 2 2 2\ndirect\n0.500001 0.000000 0.858064 Sm\n-0.000000 0.500001 0.141935 Sm\n0.000000 0.000000 0.500000 Fe\n0.500001 0.500001 0.500000 Fe\n0.500001 0.000000 0.350871 As\n-0.000000 0.500001 0.649129 As\n0.000000 0.000000 0.000000 O\n0.500001 0.500001 -0.000000 O\n",
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]
}