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{
"id": "jvasp-112276",
"created_at": "2022-09-04T14:38:26.597642Z",
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{
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{
"id": "jvasp-86806",
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"updated_at": "2022-09-04T14:36:01.585140Z",
"structure_string": "Tb10 Sb2 Au4\n1.0\n6.553414 -0.000000 -3.386786\n-1.750281 6.315358 -3.386786\n0.994106 1.307090 9.957395\nTb Sb Au\n10 2 4\ndirect\n0.996967 0.496967 0.667467 Tb\n0.003034 0.503034 0.332532 Tb\n0.503034 0.329499 0.332531 Tb\n0.829498 0.003034 0.332531 Tb\n0.496967 0.670502 0.667468 Tb\n0.670502 0.170502 0.667468 Tb\n0.170502 0.996967 0.667468 Tb\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 -0.000000 Tb\n0.329499 0.829499 0.332531 Tb\n0.750000 0.750000 0.499999 Sb\n0.250000 0.250000 0.500000 Sb\n0.127847 0.627847 -0.000000 Au\n0.372153 0.127847 -0.000000 Au\n0.627847 0.872153 -0.000001 Au\n0.872153 0.372153 -0.000001 Au\n",
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"spacegroup": 140
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{
"id": "jvasp-112572",
"created_at": "2022-09-04T14:38:42.315305Z",
"updated_at": "2022-09-04T14:38:42.315326Z",
"structure_string": "Tb10 Sb2 Pt4\n1.0\n6.948752 -0.091648 -5.221729\n-1.786627 6.715767 -5.221729\n0.071420 0.091648 8.691750\nTb Sb Pt\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 -0.000000 Tb\n0.795694 0.295695 0.812383 Tb\n0.204305 0.704306 0.187616 Tb\n0.483311 0.983312 0.187616 Tb\n0.295694 0.483312 0.500000 Tb\n0.016688 0.204306 0.500000 Tb\n0.516688 0.016688 0.812384 Tb\n0.704305 0.516688 0.500000 Tb\n0.983311 0.795695 0.500000 Tb\n0.250000 0.250000 -0.000000 Sb\n0.749999 0.750000 -0.000000 Sb\n0.139319 0.639320 0.778638 Pt\n0.860681 0.360681 0.221362 Pt\n0.639318 0.860681 0.500000 Pt\n0.360681 0.139319 0.500000 Pt\n",
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"formula_full": "Tb10 Sb2 Pt4",
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{
"id": "jvasp-112344",
"created_at": "2022-09-04T14:38:26.385718Z",
"updated_at": "2022-09-04T14:38:26.385744Z",
"structure_string": "Tb10 Si3 Sb3\n1.0\n8.742918 0.000000 0.000000\n-4.371460 7.571589 0.000000\n-0.000000 -0.000000 6.348959\nTb Si Sb\n10 3 3\ndirect\n0.757770 -0.000000 -0.000000 Tb\n0.000000 0.757770 -0.000000 Tb\n0.242230 0.242230 -0.000000 Tb\n0.244000 -0.000000 0.500000 Tb\n0.000000 0.244000 0.500000 Tb\n0.756001 0.756001 0.500000 Tb\n0.333333 0.666667 0.260102 Tb\n0.666667 0.333333 0.260102 Tb\n0.666667 0.333333 0.739898 Tb\n0.333333 0.666667 0.739898 Tb\n0.611934 -0.000000 0.500000 Si\n0.000000 0.611934 0.500000 Si\n0.388066 0.388066 0.500000 Si\n0.394323 -0.000000 -0.000000 Sb\n0.000000 0.394323 -0.000000 Sb\n0.605677 0.605677 -0.000000 Sb\n",
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"volume": 420.28700226424894,
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"formula_full": "Tb10 Si3 Sb3",
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"formula_anonymous": "A3B3C10",
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"spacegroup": 189
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{
"id": "jvasp-20289",
"created_at": "2022-09-04T14:37:48.793987Z",
"updated_at": "2022-09-04T14:37:48.794015Z",
"structure_string": "Tb10 Si6\n1.0\n4.241726 -7.346884 0.000000\n4.241726 7.346884 0.000000\n0.000000 -0.000000 6.386855\nTb Si\n10 6\ndirect\n0.243545 0.000000 0.250000 Tb\n0.756455 0.000001 0.750001 Tb\n0.243545 0.243545 0.750001 Tb\n0.000000 0.243545 0.250000 Tb\n0.756456 0.756456 0.250000 Tb\n0.000001 0.756455 0.750001 Tb\n0.333334 0.666667 0.500000 Tb\n0.666667 0.333334 0.000000 Tb\n0.666667 0.333334 0.500000 Tb\n0.333334 0.666667 0.000000 Tb\n0.000000 0.606202 0.250000 Si\n0.606203 0.606203 0.750001 Si\n0.393798 0.000000 0.750001 Si\n0.606202 0.000000 0.250000 Si\n0.393798 0.393798 0.250000 Si\n0.000000 0.393798 0.750001 Si\n",
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"volume": 398.0731140899331,
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"formula_full": "Tb10 Si6",
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"spacegroup": 193
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{
"id": "jvasp-119025",
"created_at": "2022-09-04T14:38:32.716128Z",
"updated_at": "2022-09-04T14:38:32.716148Z",
"structure_string": "Tb10 Si6 B2\n1.0\n8.582402 0.000000 0.000000\n-4.291201 7.432578 0.000000\n-0.000000 -0.000000 6.360657\nTb Si B\n10 6 2\ndirect\n0.666667 0.333333 -0.000000 Tb\n0.000000 0.759720 0.250000 Tb\n0.240280 0.240280 0.250000 Tb\n0.000000 0.240280 0.750000 Tb\n0.240280 -0.000000 0.750000 Tb\n0.759720 -0.000000 0.250000 Tb\n0.666667 0.333333 0.500000 Tb\n0.333333 0.666667 0.500000 Tb\n0.333333 0.666667 -0.000000 Tb\n0.759720 0.759720 0.750000 Tb\n0.398457 0.398457 0.750000 Si\n0.601543 -0.000000 0.750000 Si\n0.000000 0.601543 0.750000 Si\n0.601543 0.601543 0.250000 Si\n0.398457 -0.000000 0.250000 Si\n0.000000 0.398457 0.250000 Si\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n",
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"elements": [
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"density_atomic": 0.04436313203778721,
"volume": 405.74231739698024,
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"spacegroup": 193
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{
"id": "jvasp-22023",
"created_at": "2022-09-04T14:37:38.615894Z",
"updated_at": "2022-09-04T14:37:38.615915Z",
"structure_string": "Tb12 Al20 O48\n1.0\n9.893001 0.000000 -3.497704\n-4.946501 8.567591 -3.497704\n-0.000000 -0.000000 10.493112\nTb Al O\n12 20 48\ndirect\n0.250000 0.375000 0.125000 Tb\n0.250000 0.875000 0.625000 Tb\n0.875000 0.625000 0.250000 Tb\n0.625000 0.875000 0.750000 Tb\n0.875000 0.750000 0.625000 Tb\n0.625000 0.250000 0.875000 Tb\n0.375000 0.750000 0.125000 Tb\n0.750000 0.125000 0.375000 Tb\n0.125000 0.375000 0.750000 Tb\n0.375000 0.125000 0.250000 Tb\n0.125000 0.250000 0.375000 Tb\n0.750000 0.625000 0.875000 Tb\n0.250000 0.125000 0.875000 Al\n0.750000 0.875000 0.125001 Al\n0.375000 0.250000 0.625000 Al\n0.625000 0.375000 0.250000 Al\n0.125000 0.750000 0.875000 Al\n0.875000 0.125000 0.750000 Al\n0.750000 0.375000 0.625000 Al\n0.125000 0.875000 0.250000 Al\n0.875000 0.250000 0.125000 Al\n0.375000 0.625000 0.750000 Al\n0.000000 0.000000 0.000000 Al\n0.625000 0.750000 0.375000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 -0.000000 0.000000 Al\n0.250000 0.625000 0.375000 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.679606 0.098022 0.980197 O\n0.199409 0.117825 0.019803 O\n0.117825 0.019803 0.199409 O\n0.179606 0.480197 0.598022 O\n0.300591 0.320394 0.918416 O\n0.382175 0.581584 0.901978 O\n0.598022 0.179606 0.480197 O\n0.320394 0.918416 0.300592 O\n0.980197 0.679606 0.098023 O\n0.918416 0.117825 0.598022 O\n0.098022 0.617825 0.418416 O\n0.679606 0.081584 0.699409 O\n0.401978 0.820394 0.519804 O\n0.617825 0.418416 0.098022 O\n0.699409 0.679606 0.081585 O\n0.820394 0.519803 0.401978 O\n0.882175 0.980197 0.800592 O\n0.418416 0.820394 0.800591 O\n0.800591 0.882174 0.980197 O\n0.699409 0.519803 0.617826 O\n0.081584 0.699409 0.679607 O\n0.617825 0.699409 0.519804 O\n0.519803 0.401978 0.820394 O\n0.519803 0.617825 0.699409 O\n0.401978 0.081584 0.882174 O\n0.820394 0.800591 0.418416 O\n0.418416 0.098022 0.617826 O\n0.581584 0.179606 0.199409 O\n0.081584 0.882174 0.401978 O\n0.882174 0.401978 0.081585 O\n0.117825 0.598022 0.918416 O\n0.320394 0.901978 0.019804 O\n0.901978 0.019803 0.320394 O\n0.199409 0.581584 0.179607 O\n0.019803 0.199409 0.117826 O\n0.300591 0.480197 0.382175 O\n0.918416 0.300591 0.320394 O\n0.581584 0.901978 0.382175 O\n0.382175 0.300591 0.480197 O\n0.480197 0.382175 0.300591 O\n0.598022 0.918416 0.117826 O\n0.179606 0.199409 0.581584 O\n0.019803 0.320394 0.901978 O\n0.980197 0.800591 0.882175 O\n0.800591 0.418416 0.820394 O\n0.098022 0.980197 0.679607 O\n0.480197 0.598022 0.179607 O\n0.901978 0.382175 0.581585 O\n",
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"spacegroup": 230
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{
"id": "jvasp-37593",
"created_at": "2022-09-04T14:38:34.855375Z",
"updated_at": "2022-09-04T14:38:34.855389Z",
"structure_string": "Tb12 Al8\n1.0\n8.255591 0.000000 0.000000\n-0.000000 8.255591 0.000000\n0.000000 0.000000 7.573697\nTb Al\n12 8\ndirect\n0.202905 0.202905 0.000000 Tb\n0.649372 0.350628 0.000000 Tb\n0.350628 0.649372 0.000000 Tb\n0.149372 0.149372 0.500000 Tb\n0.500000 0.000000 0.750000 Tb\n0.000000 0.500000 0.750000 Tb\n0.850628 0.850628 0.500000 Tb\n0.500000 0.000000 0.250000 Tb\n0.702905 0.297095 0.500000 Tb\n0.297095 0.702905 0.500000 Tb\n0.797095 0.797095 0.000000 Tb\n0.000000 0.500000 0.250000 Tb\n0.119164 0.880835 0.806738 Al\n0.380836 0.380836 0.306737 Al\n0.619164 0.619164 0.306737 Al\n0.119164 0.880835 0.193263 Al\n0.880835 0.119164 0.193263 Al\n0.619164 0.619164 0.693263 Al\n0.380836 0.380836 0.693263 Al\n0.880835 0.119164 0.806738 Al\n",
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"volume": 516.1836737196184,
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"formula_full": "Tb12 Al8",
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"spacegroup": 136
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{
"id": "jvasp-120467",
"created_at": "2022-09-04T14:38:52.073244Z",
"updated_at": "2022-09-04T14:38:52.073267Z",
"structure_string": "Tb12 Co4 Sn2\n1.0\n7.881395 0.002854 -2.768125\n-3.681920 6.800744 -3.157890\n0.000134 -0.002854 8.353377\nTb Co Sn\n12 4 2\ndirect\n0.442771 0.235857 0.206914 Tb\n0.676117 0.989358 0.313240 Tb\n0.323882 0.010642 0.686759 Tb\n0.676118 0.362877 0.686759 Tb\n0.815706 0.285029 0.100735 Tb\n0.184294 0.714971 0.899265 Tb\n0.323882 0.637123 0.313241 Tb\n0.184294 0.285030 0.469324 Tb\n0.971057 0.764142 0.206913 Tb\n0.028943 0.235857 0.793086 Tb\n0.557229 0.764143 0.793086 Tb\n0.815706 0.714970 0.530676 Tb\n0.342831 -0.000000 0.342831 Co\n0.657169 -0.000000 0.657169 Co\n0.113075 0.613075 0.500000 Co\n0.886925 0.386924 0.500000 Co\n0.500000 0.499999 -0.000001 Sn\n0.000000 0.000000 0.000000 Sn\n",
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"density": 8.82797036484291,
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"volume": 447.7257558065746,
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"formula_full": "Tb12 Co4 Sn2",
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"formula_anonymous": "AB2C6",
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{
"id": "jvasp-54642",
"created_at": "2022-09-04T14:37:09.010896Z",
"updated_at": "2022-09-04T14:37:09.010916Z",
"structure_string": "Tb12 Ni4\n1.0\n6.275412 -0.000000 0.000000\n0.000000 6.807285 0.000000\n0.000000 0.000000 9.561384\nTb Ni\n12 4\ndirect\n0.141447 0.031423 0.250000 Tb\n0.641447 0.468577 0.750000 Tb\n0.323913 0.820907 0.565036 Tb\n0.676087 0.179092 0.434963 Tb\n0.358553 0.531422 0.250000 Tb\n0.858553 0.968577 0.750000 Tb\n0.823912 0.679091 0.065036 Tb\n0.676087 0.179092 0.065036 Tb\n0.323913 0.820907 0.934963 Tb\n0.823912 0.679091 0.434963 Tb\n0.176087 0.320908 0.934963 Tb\n0.176087 0.320908 0.565036 Tb\n0.560396 0.888995 0.250000 Ni\n0.060396 0.611004 0.750000 Ni\n0.439603 0.111004 0.750000 Ni\n0.939603 0.388995 0.250000 Ni\n",
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"volume": 408.4481542834546,
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{
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"created_at": "2022-09-04T14:38:36.184878Z",
"updated_at": "2022-09-04T14:38:36.184896Z",
"structure_string": "Tb12 Os4\n1.0\n6.323032 0.000000 0.000000\n0.000000 7.371460 0.000000\n-0.000000 -0.000000 9.086081\nTb Os\n12 4\ndirect\n0.333438 0.676473 0.062486 Tb\n0.166561 0.176473 0.437514 Tb\n0.666561 0.323527 0.562486 Tb\n0.833438 0.823527 0.937514 Tb\n0.666561 0.323527 0.937514 Tb\n0.833438 0.823527 0.562486 Tb\n0.333438 0.676473 0.437514 Tb\n0.166561 0.176473 0.062486 Tb\n0.870650 0.537367 0.250000 Tb\n0.629349 0.037367 0.250000 Tb\n0.129349 0.462633 0.750000 Tb\n0.370650 0.962633 0.750000 Tb\n0.042637 0.883743 0.250000 Os\n0.457363 0.383743 0.250000 Os\n0.957362 0.116257 0.750000 Os\n0.542637 0.616257 0.750000 Os\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tb",
"Os"
],
"chemical_system": "Os-Tb",
"density": 10.461244796670478,
"density_atomic": 0.0377802202616533,
"volume": 423.50203067079275,
"volume_molar": 15.939930255283445,
"formula_full": "Tb12 Os4",
"formula_reduced": "Tb3Os",
"formula_anonymous": "AB3",
"energy_above_hull": 2.48253505,
"spacegroup": 62
}
]
}