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"results": [
{
"id": "jvasp-113126",
"created_at": "2022-09-04T14:38:42.314855Z",
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"structure_string": "Tb4 Mg2 S8\n1.0\n6.724178 0.015810 -2.535270\n-3.212096 5.907390 -2.535270\n-0.009375 -0.015810 7.186242\nTb Mg S\n4 2 8\ndirect\n0.875000 0.755233 0.380233 Tb\n0.505234 0.125000 0.880233 Tb\n0.375000 0.494767 0.619767 Tb\n0.244767 0.625000 0.119767 Tb\n0.000000 0.000000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.507480 0.378357 0.263662 S\n0.756182 0.492520 0.870876 S\n0.114695 0.243819 0.736338 S\n0.621643 0.885305 0.129124 S\n0.242520 0.006181 0.370876 S\n0.993819 0.364695 0.236338 S\n0.635305 0.871643 0.629124 S\n0.128357 0.757480 0.763662 S\n",
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{
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"structure_string": "Tb8 Mg4 Se16\n1.0\n4.019654 -0.000000 0.000000\n0.000000 13.181713 0.000000\n-0.000000 -0.000000 14.042948\nTb Mg Se\n8 4 16\ndirect\n0.250000 0.116275 0.075268 Tb\n0.749999 0.883725 0.924732 Tb\n0.749999 0.383725 0.575268 Tb\n0.250000 0.616275 0.424732 Tb\n0.250000 0.140755 0.703068 Tb\n0.749999 0.859245 0.296932 Tb\n0.749999 0.359245 0.203068 Tb\n0.250000 0.640754 0.796932 Tb\n0.749999 0.610791 0.044801 Mg\n0.250000 0.389208 0.955200 Mg\n0.250000 0.889208 0.544801 Mg\n0.749999 0.110792 0.455199 Mg\n0.250000 0.739309 0.987132 Se\n0.749999 0.260691 0.012868 Se\n0.250000 0.722585 0.249168 Se\n0.749999 0.277415 0.750832 Se\n0.749999 0.777415 0.749168 Se\n0.250000 0.222585 0.250832 Se\n0.250000 0.529915 0.618364 Se\n0.250000 0.993018 0.382412 Se\n0.749999 0.970085 0.118364 Se\n0.250000 0.029915 0.881636 Se\n0.749999 0.506982 0.882413 Se\n0.250000 0.493018 0.117588 Se\n0.250000 0.239309 0.512868 Se\n0.749999 0.006982 0.617588 Se\n0.749999 0.470085 0.381636 Se\n0.749999 0.760691 0.487132 Se\n",
"nsites": 28,
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],
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"formula_full": "Tb8 Mg4 Se16",
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"spacegroup": 62
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{
"id": "jvasp-111839",
"created_at": "2022-09-04T14:38:39.099634Z",
"updated_at": "2022-09-04T14:38:39.099656Z",
"structure_string": "Tb4 Mg2 Se8\n1.0\n7.138753 -0.000000 4.121561\n2.379585 6.730481 4.121561\n0.000000 0.000000 8.243123\nTb Mg Se\n4 2 8\ndirect\n0.625000 0.125000 0.625000 Tb\n0.624999 0.625000 0.125000 Tb\n0.125000 0.625000 0.625000 Tb\n0.624999 0.625000 0.625000 Tb\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.378957 0.378958 0.378958 Se\n0.863127 0.378958 0.378958 Se\n0.378957 0.863127 0.378958 Se\n0.378957 0.378958 0.863127 Se\n0.871041 0.871042 0.386873 Se\n0.871041 0.386873 0.871042 Se\n0.386872 0.871042 0.871042 Se\n0.871041 0.871042 0.871042 Se\n",
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"density": 5.517494515555809,
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"volume": 396.0593209197769,
"volume_molar": 17.036606999206494,
"formula_full": "Tb4 Mg2 Se8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
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{
"id": "jvasp-110073",
"created_at": "2022-09-04T14:38:26.820430Z",
"updated_at": "2022-09-04T14:38:26.820455Z",
"structure_string": "Tb4 Mg2 Si4\n1.0\n7.173953 -0.000000 0.000000\n0.000000 7.173953 0.000000\n-0.000000 -0.000000 4.231718\nTb Mg Si\n4 2 4\ndirect\n0.678817 0.178817 0.500000 Tb\n0.321183 0.821183 0.500000 Tb\n0.178817 0.321183 0.500000 Tb\n0.821183 0.678817 0.500000 Tb\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.118322 0.618322 -0.000000 Si\n0.881677 0.381678 -0.000000 Si\n0.618322 0.881677 -0.000000 Si\n0.381678 0.118322 -0.000000 Si\n",
"nsites": 10,
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"elements": [
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"density": 6.074139174321471,
"density_atomic": 0.04591623046639242,
"volume": 217.78791286709227,
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"formula_full": "Tb4 Mg2 Si4",
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"spacegroup": 127
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{
"id": "jvasp-46291",
"created_at": "2022-09-04T14:38:05.787407Z",
"updated_at": "2022-09-04T14:38:05.787432Z",
"structure_string": "Tb4 Mn4 O14\n1.0\n-0.000000 4.992667 4.992667\n4.992667 0.000000 4.992667\n4.992667 4.992667 0.000000\nTb Mn O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.922358 0.327643 0.922358 O\n0.625000 0.625000 0.625000 O\n0.327643 0.327643 0.922358 O\n0.922358 0.922358 0.327643 O\n0.327643 0.922358 0.327643 O\n0.077643 0.672357 0.077643 O\n0.077643 0.077643 0.672357 O\n0.375000 0.375000 0.375000 O\n0.672357 0.672357 0.077643 O\n0.077643 0.672357 0.672357 O\n0.922358 0.327643 0.327643 O\n0.672357 0.077643 0.077643 O\n0.672357 0.077643 0.672357 O\n0.327643 0.922358 0.922358 O\n",
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"elements": [
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"Mn",
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"chemical_system": "Mn-O-Tb",
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"density_atomic": 0.08838832086552398,
"volume": 248.9016623980368,
"volume_molar": 6.813276574358985,
"formula_full": "Tb4 Mn4 O14",
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"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.84656961661442,
"spacegroup": 227
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{
"id": "jvasp-105389",
"created_at": "2022-09-04T14:36:57.348202Z",
"updated_at": "2022-09-04T14:36:57.348218Z",
"structure_string": "Tb2 Mn3 Al1\n1.0\n4.395947 0.000000 2.538001\n-2.930631 4.410702 0.000000\n-0.000000 0.000000 5.076002\nTb Mn Al\n2 3 1\ndirect\n0.738789 0.358182 0.380605 Tb\n0.261211 0.641818 0.619394 Tb\n0.500000 -0.000000 -0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 -0.000000 Al\n",
"nsites": 6,
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"density": 8.59876513765479,
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"volume": 98.41968003147878,
"volume_molar": 9.878286111728773,
"formula_full": "Tb2 Mn3 Al1",
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"formula_anonymous": "AB2C3",
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"spacegroup": 166
},
{
"id": "jvasp-51892",
"created_at": "2022-09-04T14:37:04.768822Z",
"updated_at": "2022-09-04T14:37:04.768846Z",
"structure_string": "Tb4 Mn2 Ni2 O12\n1.0\n0.000000 5.226265 -0.008477\n5.646660 0.000000 0.000000\n0.000000 -5.166352 -7.405094\nTb Mn Ni O\n4 2 2 12\ndirect\n0.770596 0.576666 0.250199 Tb\n0.770596 0.923334 0.750199 Tb\n0.229404 0.076666 0.249801 Tb\n0.229403 0.423334 0.749801 Tb\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n-0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.354458 0.030310 0.752231 O\n0.150388 0.185195 0.950593 O\n0.736888 0.203778 0.551411 O\n0.150388 0.314805 0.450593 O\n0.354458 0.469690 0.252231 O\n0.645542 0.969690 0.247769 O\n0.645542 0.530310 0.747769 O\n0.263111 0.796222 0.448589 O\n0.849611 0.685195 0.549406 O\n0.263111 0.703779 0.948588 O\n0.736888 0.296222 0.051412 O\n0.849611 0.814805 0.049407 O\n",
"nsites": 20,
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"formula_full": "Tb4 Mn2 Ni2 O12",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 14
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{
"id": "jvasp-59586",
"created_at": "2022-09-04T14:37:57.856340Z",
"updated_at": "2022-09-04T14:37:57.856367Z",
"structure_string": "Tb4 Mo4 O14\n1.0\n6.326584 -0.000000 3.652655\n2.108862 5.964760 3.652655\n-0.000000 0.000000 7.305310\nTb Mo O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Tb\n-0.000000 0.500000 0.500000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 -0.000000 Tb\n0.000000 0.000000 0.000000 Mo\n0.000000 0.000000 0.500000 Mo\n0.500000 0.000000 -0.000000 Mo\n-0.000000 0.500000 -0.000000 Mo\n0.086664 0.663336 0.086664 O\n0.663336 0.086664 0.663336 O\n0.663336 0.086664 0.086664 O\n0.624999 0.625000 0.625000 O\n0.913335 0.336664 0.336664 O\n0.336664 0.913336 0.336663 O\n0.336664 0.336664 0.913336 O\n0.913335 0.913336 0.336663 O\n0.913335 0.336664 0.913336 O\n0.086664 0.663336 0.663336 O\n0.336664 0.913336 0.913335 O\n0.375000 0.375000 0.375000 O\n0.663335 0.663336 0.086663 O\n0.086664 0.086664 0.663336 O\n",
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{
"id": "jvasp-50944",
"created_at": "2022-09-04T14:35:55.128595Z",
"updated_at": "2022-09-04T14:35:55.128630Z",
"structure_string": "Tb4 Nb4 O14\n1.0\n-0.000000 5.195112 5.195112\n5.195112 -0.000000 5.195112\n5.195112 5.195112 0.000000\nTb Nb O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Nb\n0.500000 0.000000 0.000000 Nb\n0.000000 0.500000 0.000000 Nb\n0.000000 0.000000 0.500000 Nb\n0.904984 0.904984 0.345015 O\n0.904984 0.345015 0.904984 O\n0.625000 0.625000 0.625000 O\n0.345015 0.345015 0.904984 O\n0.345015 0.904984 0.345015 O\n0.654984 0.095016 0.654984 O\n0.095016 0.654984 0.095016 O\n0.654984 0.654984 0.095016 O\n0.095016 0.095016 0.654984 O\n0.095016 0.654984 0.654984 O\n0.904984 0.345015 0.345015 O\n0.654984 0.095016 0.095016 O\n0.375000 0.375000 0.375000 O\n0.345015 0.904984 0.904984 O\n",
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{
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"created_at": "2022-09-04T14:38:48.270893Z",
"updated_at": "2022-09-04T14:38:48.270909Z",
"structure_string": "Tb2 Ni12 P7\n1.0\n9.053332 0.000000 0.000000\n-4.526666 7.840415 0.000000\n-0.000000 0.000000 3.701976\nTb Ni P\n2 12 7\ndirect\n0.666666 0.333334 -0.000000 Tb\n0.333333 0.666667 0.500001 Tb\n0.121238 0.214768 0.500001 Ni\n0.785232 0.906471 0.500001 Ni\n0.093529 0.878763 0.500001 Ni\n0.618652 0.569411 0.500001 Ni\n0.430589 0.049242 0.500001 Ni\n0.950758 0.381348 0.500001 Ni\n0.847984 0.725579 -0.000000 Ni\n0.274422 0.122406 -0.000000 Ni\n0.372433 0.433990 -0.000000 Ni\n0.566010 0.938444 -0.000000 Ni\n0.061556 0.627567 -0.000000 Ni\n0.877594 0.152016 -0.000000 Ni\n0.705180 0.109306 0.500001 P\n0.295291 0.888175 -0.000000 P\n0.592884 0.704709 -0.000000 P\n0.111825 0.407116 -0.000000 P\n0.404127 0.294820 0.500001 P\n0.890694 0.595873 0.500001 P\n0.000000 0.000000 0.000000 P\n",
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{
"id": "jvasp-92532",
"created_at": "2022-09-04T14:35:57.391664Z",
"updated_at": "2022-09-04T14:35:57.391690Z",
"structure_string": "Tb2 Ni2 Sn1\n1.0\n-4.250037 -0.000000 -0.000000\n-2.125019 -2.852903 4.123464\n-2.125019 2.852903 4.123464\nTb Ni Sn\n2 2 1\ndirect\n0.796541 0.703460 0.703460 Tb\n0.203461 0.296539 0.296539 Tb\n0.500001 0.291717 0.708282 Ni\n0.500001 0.708282 0.291717 Ni\n0.000000 0.000000 0.000000 Sn\n",
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"spacegroup": 71
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{
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"created_at": "2022-09-04T14:36:40.578790Z",
"updated_at": "2022-09-04T14:36:40.578816Z",
"structure_string": "Tb4 Ni2 As4\n1.0\n4.108129 0.000000 0.000000\n-2.054065 3.557744 0.000000\n-0.000000 -0.000000 14.314319\nTb Ni As\n4 2 4\ndirect\n0.666667 0.333333 0.619713 Tb\n0.333334 0.666666 0.119713 Tb\n0.666667 0.333333 0.354008 Tb\n0.333334 0.666666 0.854008 Tb\n0.000000 0.000000 0.986893 Ni\n0.000000 0.000000 0.486893 Ni\n0.666667 0.333333 0.986853 As\n0.333334 0.666666 0.486853 As\n0.000000 0.000000 0.736864 As\n0.000000 0.000000 0.236864 As\n",
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]
}