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{
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{
"id": "jvasp-49916",
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{
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"formula_full": "Tb2 Re2 Si2 C1",
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{
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"updated_at": "2022-09-04T14:36:49.129308Z",
"structure_string": "Tb2 Ru1 Rh1\n1.0\n4.180509 0.000000 2.413619\n1.393503 3.941422 2.413619\n-0.000000 -0.000000 4.827236\nTb Ru Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tb\n0.750000 0.750000 0.750001 Tb\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500001 Rh\n",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-45372",
"created_at": "2022-09-04T14:37:13.806844Z",
"updated_at": "2022-09-04T14:37:13.806874Z",
"structure_string": "Tb8 S12\n1.0\n3.883415 0.000000 0.000000\n0.000000 10.468418 0.000000\n0.000000 0.000000 10.684396\nTb S\n8 12\ndirect\n0.250000 0.996614 0.807364 Tb\n0.750001 0.003387 0.192636 Tb\n0.750001 0.496614 0.692636 Tb\n0.250000 0.503387 0.307364 Tb\n0.250000 0.186826 0.489435 Tb\n0.750001 0.813175 0.510566 Tb\n0.750001 0.686826 0.010566 Tb\n0.250000 0.313174 0.989435 Tb\n0.750001 0.126309 0.954176 S\n0.250000 0.873691 0.045824 S\n0.250000 0.555715 0.880442 S\n0.750001 0.444286 0.119558 S\n0.750001 0.055714 0.619559 S\n0.750001 0.697548 0.272060 S\n0.250000 0.197548 0.227941 S\n0.750001 0.802452 0.772060 S\n0.750001 0.373691 0.454176 S\n0.250000 0.302452 0.727941 S\n0.250000 0.944286 0.380442 S\n0.250000 0.626309 0.545824 S\n",
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{
"id": "jvasp-112312",
"created_at": "2022-09-04T14:38:26.964131Z",
"updated_at": "2022-09-04T14:38:26.964155Z",
"structure_string": "Tb8 S12\n1.0\n3.902033 -0.000000 0.000000\n0.000000 7.318159 0.000000\n-0.000000 -0.000000 15.228795\nTb S\n8 12\ndirect\n0.250000 0.766415 0.457037 Tb\n0.250000 0.266415 0.042963 Tb\n0.749999 0.233585 0.542963 Tb\n0.749999 0.733585 0.957037 Tb\n0.250000 0.140703 0.795706 Tb\n0.250000 0.640703 0.704294 Tb\n0.749999 0.859297 0.204294 Tb\n0.749999 0.359297 0.295706 Tb\n0.250000 0.876308 0.067421 S\n0.250000 0.376308 0.432579 S\n0.749999 0.349997 0.718417 S\n0.749999 0.849997 0.781583 S\n0.250000 0.650003 0.281583 S\n0.250000 0.508726 0.891713 S\n0.749999 0.491274 0.108286 S\n0.749999 0.991274 0.391713 S\n0.749999 0.623692 0.567420 S\n0.250000 0.008726 0.608286 S\n0.250000 0.150003 0.218417 S\n0.749999 0.123692 0.932579 S\n",
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{
"id": "jvasp-98879",
"created_at": "2022-09-04T14:35:47.759849Z",
"updated_at": "2022-09-04T14:35:47.759865Z",
"structure_string": "Tb8 Sb20\n1.0\n4.228018 0.000000 0.000000\n0.000000 12.954195 -2.797181\n0.000000 0.025810 14.737236\nTb Sb\n8 20\ndirect\n0.750000 0.661497 0.144743 Tb\n0.250000 0.046897 0.362218 Tb\n0.250000 0.338504 0.855257 Tb\n0.250000 0.331302 0.577698 Tb\n0.750000 0.953103 0.637783 Tb\n0.750000 0.668698 0.422302 Tb\n0.250000 0.608247 0.770656 Tb\n0.750000 0.391754 0.229345 Tb\n0.250000 0.574349 0.551063 Sb\n0.750000 0.425500 0.734595 Sb\n0.250000 0.574500 0.265406 Sb\n0.250000 0.029258 0.090720 Sb\n0.750000 0.970743 0.909281 Sb\n0.250000 0.277740 0.061715 Sb\n0.250000 0.580567 0.975324 Sb\n0.750000 0.143829 0.518058 Sb\n0.750000 0.140288 0.221325 Sb\n0.750000 0.425652 0.448937 Sb\n0.250000 0.283799 0.347003 Sb\n0.750000 0.860913 0.321199 Sb\n0.250000 0.847516 0.170619 Sb\n0.250000 0.859712 0.778675 Sb\n0.750000 0.722261 0.938285 Sb\n0.250000 0.856171 0.481942 Sb\n0.250000 0.139087 0.678801 Sb\n0.750000 0.152484 0.829382 Sb\n0.750000 0.716202 0.652997 Sb\n0.750000 0.419434 0.024677 Sb\n",
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"density_atomic": 0.034676122701332836,
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"formula_full": "Tb8 Sb20",
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"spacegroup": 11
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{
"id": "jvasp-50253",
"created_at": "2022-09-04T14:36:33.449682Z",
"updated_at": "2022-09-04T14:36:33.449704Z",
"structure_string": "Tb2 Sb1 O2\n1.0\n-1.931987 1.931987 6.651223\n1.931987 -1.931987 6.651223\n1.931987 1.931987 -6.651223\nTb Sb O\n2 1 2\ndirect\n0.335457 0.335457 0.000000 Tb\n0.664542 0.664542 0.000000 Tb\n0.000000 0.000000 0.000000 Sb\n0.750001 0.250000 0.500001 O\n0.250000 0.750001 0.500001 O\n",
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{
"id": "jvasp-49228",
"created_at": "2022-09-04T14:38:36.195165Z",
"updated_at": "2022-09-04T14:38:36.195191Z",
"structure_string": "Tb8 Se12\n1.0\n4.031983 -0.000000 0.000000\n0.000000 10.972406 0.000000\n0.000000 0.000000 11.169463\nTb Se\n8 12\ndirect\n0.250000 0.187370 0.486804 Tb\n0.749999 0.812630 0.513196 Tb\n0.749999 0.687370 0.013196 Tb\n0.250000 0.312630 0.986803 Tb\n0.250000 0.998605 0.806006 Tb\n0.749999 0.001395 0.193994 Tb\n0.749999 0.498605 0.693994 Tb\n0.250000 0.501396 0.306006 Tb\n0.749999 0.443762 0.118994 Se\n0.250000 0.556238 0.881006 Se\n0.250000 0.874595 0.044888 Se\n0.749999 0.125405 0.955111 Se\n0.749999 0.374595 0.455112 Se\n0.749999 0.696825 0.273447 Se\n0.250000 0.196825 0.226553 Se\n0.749999 0.803175 0.773447 Se\n0.749999 0.056238 0.618993 Se\n0.250000 0.303175 0.726553 Se\n0.250000 0.625405 0.544888 Se\n0.250000 0.943762 0.381006 Se\n",
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"density": 7.456558595958803,
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"volume": 494.14323615271906,
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"formula_full": "Tb8 Se12",
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"spacegroup": 62
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{
"id": "jvasp-104795",
"created_at": "2022-09-04T14:36:51.772179Z",
"updated_at": "2022-09-04T14:36:51.772188Z",
"structure_string": "Tb2 Se1 O2\n1.0\n3.670561 -0.005342 -5.539171\n-0.337561 3.655010 -5.539171\n0.004879 0.005342 6.644954\nTb Se O\n2 1 2\ndirect\n0.344734 0.344735 0.000000 Tb\n0.655266 0.655266 0.000001 Tb\n0.000000 0.000000 0.000000 Se\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
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"formula_full": "Tb2 Se1 O2",
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{
"id": "jvasp-50967",
"created_at": "2022-09-04T14:36:46.182144Z",
"updated_at": "2022-09-04T14:36:46.182173Z",
"structure_string": "Tb4 Se2 O4\n1.0\n3.836647 0.000000 0.000000\n0.000000 3.836599 -0.000000\n0.000000 0.000000 12.125317\nTb Se O\n4 2 4\ndirect\n0.000000 0.000476 0.344948 Tb\n0.500000 0.499524 0.844948 Tb\n0.500000 0.500476 0.155052 Tb\n0.000000 -0.000476 0.655052 Tb\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.500000 Se\n0.500000 0.000435 0.249995 O\n0.000000 0.499565 0.749996 O\n0.000000 0.500435 0.250005 O\n0.500000 -0.000435 0.750005 O\n",
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"volume": 178.48073816538596,
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"formula_full": "Tb4 Se2 O4",
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{
"id": "jvasp-50107",
"created_at": "2022-09-04T14:35:44.216632Z",
"updated_at": "2022-09-04T14:35:44.216662Z",
"structure_string": "Tb2 Se1 O2\n1.0\n1.928853 -3.340872 -0.000000\n1.928853 3.340872 0.000000\n0.000000 -0.000000 6.840616\nTb Se O\n2 1 2\ndirect\n0.666666 0.333332 0.289886 Tb\n0.333332 0.666666 0.710115 Tb\n0.000000 0.000000 0.000000 Se\n0.666666 0.333332 0.625855 O\n0.333332 0.666666 0.374145 O\n",
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{
"id": "jvasp-22884",
"created_at": "2022-09-04T14:37:48.308782Z",
"updated_at": "2022-09-04T14:37:48.308805Z",
"structure_string": "Tb8 Si8 O28\n1.0\n6.672560 0.003410 0.016929\n-0.213838 6.688071 -0.005239\n-0.225415 -0.914834 12.073480\nTb Si O\n8 8 28\ndirect\n0.675724 0.173114 0.890618 Tb\n0.324276 0.826887 0.109382 Tb\n0.370485 0.220626 0.632579 Tb\n0.629516 0.779374 0.367421 Tb\n0.882786 0.909684 0.640295 Tb\n0.117215 0.090317 0.359705 Tb\n0.951007 0.673151 0.884110 Tb\n0.048994 0.326849 0.115890 Tb\n0.843621 0.850446 0.115839 Si\n0.510875 0.333359 0.173918 Si\n0.489125 0.666642 0.826082 Si\n0.156379 0.149554 0.884161 Si\n0.376264 0.725561 0.595736 Si\n0.857314 0.375071 0.618223 Si\n0.142687 0.624930 0.381777 Si\n0.623737 0.274440 0.404264 Si\n0.713500 0.427607 0.509586 O\n0.354283 0.488155 0.125239 O\n0.645718 0.511846 0.874761 O\n0.379320 0.138757 0.212260 O\n0.620680 0.861244 0.787740 O\n0.301535 0.709502 0.907494 O\n0.600012 0.430890 0.303930 O\n0.399988 0.569111 0.696070 O\n0.416300 0.171606 0.446348 O\n0.583700 0.828394 0.553652 O\n0.286500 0.572393 0.490414 O\n0.698465 0.290499 0.092506 O\n0.713619 0.219767 0.686007 O\n0.648708 0.789877 0.185587 O\n0.037856 0.228519 0.572973 O\n0.962144 0.771482 0.427027 O\n0.928527 0.583288 0.687405 O\n0.071473 0.416712 0.312595 O\n0.770367 0.914688 0.995060 O\n0.229634 0.085312 0.004940 O\n0.773408 0.094162 0.376476 O\n0.351292 0.210123 0.814413 O\n-0.002028 0.664806 0.082376 O\n0.002029 0.335194 0.917624 O\n0.998023 0.011454 0.186059 O\n0.001977 0.988546 0.813941 O\n0.286381 0.780234 0.313993 O\n0.226593 0.905838 0.623524 O\n",
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"volume": 538.8034809298136,
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"formula_full": "Tb8 Si8 O28",
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"formula_anonymous": "A2B2C7",
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"spacegroup": 2
}
]
}