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{
"id": "jvasp-91357",
"created_at": "2022-09-04T14:35:55.902593Z",
"updated_at": "2022-09-04T14:35:55.902608Z",
"structure_string": "Sm4 Sb8\n1.0\n4.377712 -0.005847 0.000000\n-0.091801 4.376753 -0.000000\n-0.000000 0.000000 18.125213\nSm Sb\n4 8\ndirect\n0.643823 0.643823 0.610473 Sm\n0.856177 0.856175 0.110473 Sm\n0.143823 0.143823 0.889526 Sm\n0.356177 0.356176 0.389527 Sm\n0.873179 0.373179 0.250000 Sb\n0.626820 0.126820 0.750000 Sb\n0.126821 0.626820 0.750000 Sb\n0.373180 0.873179 0.250000 Sb\n0.860204 0.860203 0.436059 Sb\n0.639795 0.639795 0.936059 Sb\n0.360204 0.360204 0.063941 Sb\n0.139795 0.139795 0.563941 Sb\n",
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{
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"structure_string": "Sm4 Sb4 Rh4\n1.0\n4.614114 -0.000000 0.000000\n0.000000 7.308632 0.000000\n0.000000 0.000000 7.894433\nSm Sb Rh\n4 4 4\ndirect\n0.250000 0.511019 0.199534 Sm\n0.749999 0.488981 0.800466 Sm\n0.749999 0.988981 0.699534 Sm\n0.250000 0.011019 0.300466 Sm\n0.250000 0.690637 0.590354 Sb\n0.749999 0.309362 0.409645 Sb\n0.749999 0.809362 0.090354 Sb\n0.250000 0.190637 0.909645 Sb\n0.250000 0.802350 0.917190 Rh\n0.749999 0.197650 0.082810 Rh\n0.749999 0.697650 0.417190 Rh\n0.250000 0.302350 0.582809 Rh\n",
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"spacegroup": 62
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{
"id": "jvasp-49161",
"created_at": "2022-09-04T14:38:18.283210Z",
"updated_at": "2022-09-04T14:38:18.283228Z",
"structure_string": "Sm4 Sb4 O16\n1.0\n0.000000 7.652482 -0.025640\n5.487864 0.000000 0.000000\n0.000000 -1.260219 -7.576660\nSm Sb O\n4 4 16\ndirect\n0.104604 0.273625 0.853640 Sm\n0.395396 0.773625 0.146360 Sm\n0.895396 0.726374 0.146360 Sm\n0.604604 0.226375 0.853640 Sm\n0.305178 0.769735 0.662928 Sb\n0.194822 0.269735 0.337072 Sb\n0.694822 0.230265 0.337072 Sb\n0.805178 0.730264 0.662928 Sb\n0.694882 0.406164 0.565736 O\n0.805117 0.906164 0.434264 O\n0.375453 0.500442 0.827985 O\n0.124547 0.000442 0.172015 O\n0.624547 0.499557 0.172015 O\n0.875453 -0.000442 0.827985 O\n0.559293 0.872574 0.668118 O\n0.827557 0.520040 0.882797 O\n0.440707 0.127425 0.331882 O\n0.059293 0.627424 0.668118 O\n0.194882 0.093835 0.565736 O\n0.672443 0.020041 0.117203 O\n0.172443 0.479959 0.117203 O\n0.327557 0.979958 0.882797 O\n0.940706 0.372575 0.331882 O\n0.305118 0.593835 0.434264 O\n",
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"spacegroup": 14
},
{
"id": "jvasp-21663",
"created_at": "2022-09-04T14:38:34.039446Z",
"updated_at": "2022-09-04T14:38:34.039474Z",
"structure_string": "Sm4 Sb4 Ir4\n1.0\n4.569605 -0.000000 0.000000\n-0.000000 7.296096 0.000000\n0.000000 0.000000 7.998580\nSm Sb Ir\n4 4 4\ndirect\n0.749999 0.487608 0.808401 Sm\n0.250000 0.012392 0.308401 Sm\n0.749999 0.987609 0.691599 Sm\n0.250000 0.512392 0.191599 Sm\n0.250000 0.677117 0.587665 Sb\n0.250000 0.177116 0.912335 Sb\n0.749999 0.322884 0.412335 Sb\n0.749999 0.822884 0.087665 Sb\n0.250000 0.791404 0.910931 Ir\n0.250000 0.291403 0.589069 Ir\n0.749999 0.708597 0.410931 Ir\n0.749999 0.208597 0.089069 Ir\n",
"nsites": 12,
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"density": 11.565390109013467,
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"volume": 266.67487090363784,
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"formula_full": "Sm4 Sb4 Ir4",
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"spacegroup": 62
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{
"id": "jvasp-93777",
"created_at": "2022-09-04T14:36:10.230842Z",
"updated_at": "2022-09-04T14:36:10.230867Z",
"structure_string": "Sm4 Sb2\n1.0\n4.493711 -0.000000 0.000000\n-0.000000 4.493711 0.000000\n-2.246855 -2.246855 8.731531\nSm Sb\n4 2\ndirect\n0.500000 0.000000 0.000000 Sm\n0.000000 0.500000 0.000000 Sm\n0.821505 0.821505 0.643010 Sm\n0.178494 0.178494 0.356990 Sm\n0.639384 0.639384 0.278769 Sb\n0.360615 0.360615 0.721230 Sb\n",
"nsites": 6,
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},
{
"id": "jvasp-8030",
"created_at": "2022-09-04T14:36:33.354480Z",
"updated_at": "2022-09-04T14:36:33.354491Z",
"structure_string": "Sm4 S3 N2\n1.0\n3.809766 0.000000 0.955811\n1.865134 6.610987 0.636341\n-0.015885 0.030615 8.133891\nSm S N\n4 3 2\ndirect\n0.245116 0.862934 0.646832 Sm\n0.754883 0.137066 0.353168 Sm\n0.564304 0.729011 0.142379 Sm\n0.435695 0.270989 0.857621 Sm\n0.000000 0.000000 0.000000 S\n0.831573 0.557485 0.779366 S\n0.168425 0.442514 0.220634 S\n0.354077 0.932099 0.359744 N\n0.645922 0.067901 0.640256 N\n",
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"density": 5.879511887616604,
"density_atomic": 0.043914550599988694,
"volume": 204.9434612682184,
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"formula_full": "Sm4 S3 N2",
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"formula_anonymous": "A2B3C4",
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{
"id": "jvasp-13063",
"created_at": "2022-09-04T14:36:50.823399Z",
"updated_at": "2022-09-04T14:36:50.823418Z",
"structure_string": "Sm4 S2 Cl8\n1.0\n5.904069 -0.000000 -2.484037\n-0.381614 6.957323 -0.907022\n-0.003197 0.000683 8.250828\nSm S Cl\n4 2 8\ndirect\n0.685288 0.422009 0.785301 Sm\n0.899986 0.077990 0.214699 Sm\n0.314712 0.577990 0.214699 Sm\n0.100014 0.922009 0.785301 Sm\n0.932077 0.750000 -0.000000 S\n0.067923 0.250000 0.000000 S\n0.303651 0.572901 0.823300 Cl\n0.480351 0.927098 0.176700 Cl\n0.696350 0.427098 0.176700 Cl\n0.519649 0.072901 0.823300 Cl\n0.698724 0.681795 0.558621 Cl\n0.140103 0.818204 0.441379 Cl\n0.301277 0.318204 0.441379 Cl\n0.859898 0.181795 0.558621 Cl\n",
"nsites": 14,
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"density": 4.6513417111433615,
"density_atomic": 0.04131447135555265,
"volume": 338.8643141410644,
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"formula_full": "Sm4 S2 Cl8",
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},
{
"id": "jvasp-59507",
"created_at": "2022-09-04T14:38:36.489853Z",
"updated_at": "2022-09-04T14:38:36.489876Z",
"structure_string": "Sm4 Ru4 O14\n1.0\n6.313969 -0.000000 3.645372\n2.104656 5.952867 3.645372\n-0.000000 0.000000 7.290744\nSm Ru O\n4 4 14\ndirect\n0.500000 0.500000 0.499999 Sm\n0.000000 0.500000 0.499999 Sm\n0.500000 0.000000 0.500000 Sm\n0.500000 0.500000 -0.000001 Sm\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 -0.000000 Ru\n0.000000 0.500000 -0.000000 Ru\n0.330927 0.919074 0.330926 O\n0.919074 0.330927 0.919072 O\n0.919074 0.330927 0.330926 O\n0.625000 0.625000 0.624999 O\n0.669074 0.080927 0.080926 O\n0.080927 0.669074 0.080926 O\n0.080927 0.080927 0.669073 O\n0.669074 0.669074 0.080926 O\n0.669074 0.080927 0.669073 O\n0.330927 0.919074 0.919072 O\n0.080927 0.669074 0.669073 O\n0.375000 0.375000 0.374999 O\n0.919074 0.919074 0.330926 O\n0.330927 0.330927 0.919073 O\n",
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"formula_full": "Sm4 Ru4 O14",
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{
"id": "jvasp-19038",
"created_at": "2022-09-04T14:37:27.185951Z",
"updated_at": "2022-09-04T14:37:27.185962Z",
"structure_string": "Sm4 Rh4 O12\n1.0\n5.315270 -0.000000 0.000000\n0.000000 5.864323 0.000000\n0.000000 0.000000 7.726622\nSm Rh O\n4 4 12\ndirect\n0.471370 0.581882 0.750000 Sm\n0.971370 0.918117 0.250000 Sm\n0.028630 0.081882 0.750000 Sm\n0.528630 0.418118 0.250000 Sm\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.878865 0.458165 0.750000 O\n0.378865 0.041835 0.250000 O\n0.820814 0.193184 0.056172 O\n0.320814 0.306816 0.943828 O\n0.679186 0.693184 0.443828 O\n0.320814 0.306816 0.556172 O\n0.179186 0.806816 0.943828 O\n0.679186 0.693184 0.056172 O\n0.121135 0.541834 0.250000 O\n0.820814 0.193184 0.443828 O\n0.179186 0.806816 0.556172 O\n0.621135 0.958165 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:37:02.424329Z",
"updated_at": "2022-09-04T14:37:02.424339Z",
"structure_string": "Sm4 Pt4 O14\n1.0\n-5.197390 5.197390 0.000000\n5.197390 -0.000000 5.197390\n5.197390 5.197390 -0.000000\nSm Pt O\n4 4 14\ndirect\n0.125000 0.250000 0.125000 Sm\n0.625000 0.750000 0.125000 Sm\n0.125000 0.750000 0.125000 Sm\n0.125000 0.250000 0.625000 Sm\n0.625000 0.250000 0.125000 Pt\n0.625000 0.250000 0.625000 Pt\n0.625000 0.750000 0.625000 Pt\n0.125000 0.750000 0.625000 Pt\n0.962294 0.924589 0.537706 O\n0.537706 0.075411 0.962294 O\n0.537706 0.500000 0.537706 O\n0.962294 0.500000 0.962294 O\n0.250000 0.500000 0.250000 O\n0.287706 0.000000 0.712294 O\n0.000000 0.000000 0.000000 O\n0.712294 0.424589 0.287706 O\n0.287706 0.000000 0.287706 O\n0.537706 0.500000 0.962294 O\n0.712294 0.000000 0.712294 O\n0.712294 0.000000 0.287706 O\n0.962294 0.500000 0.537706 O\n0.287706 0.575411 0.712294 O\n",
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{
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"created_at": "2022-09-04T14:38:12.743062Z",
"updated_at": "2022-09-04T14:38:12.743082Z",
"structure_string": "Sm4 Pt4 F28\n1.0\n0.000000 8.993495 0.021499\n5.486786 0.000000 0.000000\n0.000000 -5.675333 -10.758330\nSm Pt F\n4 4 28\ndirect\n0.812041 0.762589 0.236780 Sm\n0.187958 0.262589 0.263220 Sm\n0.187958 0.237412 0.763220 Sm\n0.812041 0.737412 0.736780 Sm\n0.271876 0.757304 0.041766 Pt\n0.728124 0.257303 0.458234 Pt\n0.728124 0.242697 0.958234 Pt\n0.271876 0.742697 0.541766 Pt\n0.025149 0.749581 0.451426 F\n0.719171 0.954824 0.369471 F\n0.280828 0.454823 0.130529 F\n0.280829 0.045177 0.630529 F\n0.719171 0.545178 0.869471 F\n0.742186 0.434308 0.323496 F\n0.257814 0.565693 0.676504 F\n0.257814 0.934309 0.176504 F\n0.974851 0.249581 0.048574 F\n0.962985 0.392803 0.770595 F\n0.037015 0.892803 0.729405 F\n0.742186 0.065692 0.823496 F\n0.974851 0.250419 0.548574 F\n0.482238 0.280044 0.364148 F\n0.517761 0.719957 0.635852 F\n0.482238 0.219956 0.864148 F\n0.037014 0.607198 0.229405 F\n0.517761 0.780044 0.135852 F\n0.270457 0.066884 0.960116 F\n0.729543 0.566884 0.539884 F\n0.729543 0.933117 0.039884 F\n0.270457 0.433117 0.460116 F\n0.706681 0.074257 0.588721 F\n0.293319 0.574257 0.911279 F\n0.293319 0.925744 0.411279 F\n0.706680 0.425744 0.088721 F\n0.025149 0.750420 0.951426 F\n0.962985 0.107198 0.270595 F\n",
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},
{
"id": "jvasp-53411",
"created_at": "2022-09-04T14:38:33.600860Z",
"updated_at": "2022-09-04T14:38:33.600887Z",
"structure_string": "Sm4 Pb2 Se8\n1.0\n7.319603 -0.010931 -2.581177\n-3.669267 6.333497 -2.581177\n0.006310 0.010931 7.761381\nSm Pb Se\n4 2 8\ndirect\n0.117000 0.750000 0.867000 Sm\n0.250000 0.617000 0.367000 Sm\n0.383000 0.250000 0.632999 Sm\n0.750000 0.883000 0.132999 Sm\n0.625000 0.375000 0.250000 Pb\n0.875000 0.125000 0.749999 Pb\n0.009776 0.858304 0.497508 Se\n0.141697 0.139205 0.151473 Se\n0.487732 0.990224 0.348527 Se\n0.358303 0.509776 0.997508 Se\n0.639205 0.641697 0.651472 Se\n0.490223 0.987733 0.848527 Se\n0.860795 0.512268 0.002491 Se\n0.012268 0.360795 0.502491 Se\n",
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"spacegroup": 122
}
]
}