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"results": [
{
"id": "jvasp-119036",
"created_at": "2022-09-04T14:38:50.040421Z",
"updated_at": "2022-09-04T14:38:50.040448Z",
"structure_string": "Tb6 Mn2 B14\n1.0\n8.084872 0.003709 0.000000\n-7.345936 3.376745 0.000000\n0.000000 0.000000 9.323465\nTb Mn B\n6 2 14\ndirect\n0.896034 0.103966 0.439121 Tb\n0.103964 0.896033 0.560879 Tb\n0.896034 0.103966 0.060879 Tb\n0.103964 0.896033 0.939122 Tb\n0.240908 0.759090 0.250000 Tb\n0.759090 0.240909 0.750000 Tb\n0.054257 0.945741 0.250000 Mn\n0.945742 0.054258 0.750000 Mn\n0.477793 0.522206 0.599053 B\n0.522206 0.477793 0.400947 B\n0.477793 0.522206 0.900947 B\n0.522206 0.477793 0.099053 B\n0.370028 0.629970 0.653043 B\n0.629970 0.370029 0.346958 B\n0.727151 0.272848 0.032744 B\n0.629970 0.370029 0.153044 B\n0.272847 0.727151 0.967257 B\n0.461280 0.538719 0.250000 B\n0.272847 0.727151 0.532744 B\n0.727151 0.272848 0.467256 B\n0.370028 0.629970 0.846958 B\n0.538719 0.461280 0.750000 B\n",
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{
"id": "jvasp-119436",
"created_at": "2022-09-04T14:38:49.711765Z",
"updated_at": "2022-09-04T14:38:49.711785Z",
"structure_string": "U4 Mn4 B16\n1.0\n3.462695 -0.000000 0.000000\n0.000000 5.840725 0.000000\n0.000000 -0.000000 11.320843\nU Mn B\n4 4 16\ndirect\n-0.000000 0.626542 0.349509 U\n-0.000000 0.373459 0.650491 U\n-0.000000 0.126541 0.150491 U\n-0.000000 0.873459 0.849509 U\n-0.000000 0.635602 0.091283 Mn\n-0.000000 0.364398 0.908717 Mn\n-0.000000 0.135602 0.408717 Mn\n-0.000000 0.864399 0.591283 Mn\n0.500001 0.026112 0.691129 B\n0.500001 0.973889 0.308870 B\n0.500001 0.613108 0.954192 B\n0.500001 0.386893 0.045808 B\n0.500001 0.113108 0.545808 B\n0.500001 0.886893 0.454192 B\n0.500001 0.636010 0.533186 B\n0.500001 0.716041 0.686751 B\n0.500001 0.136010 0.966813 B\n0.500001 0.863991 0.033186 B\n0.500001 0.473889 0.191129 B\n0.500001 0.283959 0.313248 B\n0.500001 0.216041 0.813248 B\n0.500001 0.783960 0.186751 B\n0.500001 0.363991 0.466814 B\n0.500001 0.526112 0.808870 B\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "B-Mn-U",
"density": 9.75351559970963,
"density_atomic": 0.10482176679806071,
"volume": 228.96007893318603,
"volume_molar": 5.745124265651487,
"formula_full": "U4 Mn4 B16",
"formula_reduced": "UMnB4",
"formula_anonymous": "ABC4",
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"spacegroup": 55
},
{
"id": "jvasp-63266",
"created_at": "2022-09-04T14:35:59.084898Z",
"updated_at": "2022-09-04T14:35:59.084925Z",
"structure_string": "U4 Mn4 B16\n1.0\n3.456921 0.000000 0.000000\n0.000000 5.841372 -0.000000\n0.000000 -0.000000 11.322587\nU Mn B\n4 4 16\ndirect\n0.000000 0.126609 0.849537 U\n0.000000 0.873391 0.150463 U\n0.000000 0.373391 0.349537 U\n0.000000 0.626608 0.650463 U\n0.000000 0.135601 0.591256 Mn\n0.000000 0.864399 0.408745 Mn\n0.000000 0.364399 0.091255 Mn\n0.000000 0.635601 0.908745 Mn\n0.500000 0.526271 0.191242 B\n0.500000 0.473729 0.808758 B\n0.500000 0.886832 0.545793 B\n0.500000 0.113168 0.454207 B\n0.500000 0.613168 0.045793 B\n0.500000 0.386832 0.954207 B\n0.500000 0.864263 0.966785 B\n0.500000 0.784122 0.813058 B\n0.500000 0.635737 0.466785 B\n0.500000 0.364263 0.533215 B\n0.500000 0.026271 0.308758 B\n0.500000 0.215878 0.186942 B\n0.500000 0.715878 0.313058 B\n0.500000 0.284122 0.686942 B\n0.500000 0.135737 0.033215 B\n0.500000 0.973729 0.691242 B\n",
"nsites": 24,
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"elements": [
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"chemical_system": "B-Mn-U",
"density": 9.767219847423947,
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"volume": 228.63882829202046,
"volume_molar": 5.737063363233408,
"formula_full": "U4 Mn4 B16",
"formula_reduced": "UMnB4",
"formula_anonymous": "ABC4",
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"spacegroup": 55
},
{
"id": "jvasp-94873",
"created_at": "2022-09-04T14:36:05.850353Z",
"updated_at": "2022-09-04T14:36:05.850376Z",
"structure_string": "Mn2 B4 W1\n1.0\n-0.000000 -0.000000 3.017834\n3.107886 -0.000000 -0.000000\n-1.553943 6.423371 -1.508917\nMn B W\n2 4 1\ndirect\n0.186239 0.186241 0.372480 Mn\n0.813758 0.813761 0.627519 Mn\n0.352194 0.352197 0.704392 B\n0.647803 0.647805 0.295608 B\n0.927552 0.427555 0.855108 B\n0.072446 0.572447 0.144892 B\n0.499999 0.000000 0.000000 W\n",
"nsites": 7,
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"elements": [
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"volume": 60.2453364221873,
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"formula_full": "Mn2 B4 W1",
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"formula_anonymous": "AB2C4",
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"spacegroup": 71
},
{
"id": "jvasp-23330",
"created_at": "2022-09-04T14:37:38.383888Z",
"updated_at": "2022-09-04T14:37:38.383908Z",
"structure_string": "Mn2 B4 W4\n1.0\n5.770463 0.000000 0.000000\n0.000000 5.770463 -0.000000\n0.000000 -0.000000 3.182293\nMn B W\n2 4 4\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.115056 0.615055 0.000000 B\n0.884944 0.384944 0.000000 B\n0.615055 0.884944 0.000000 B\n0.384944 0.115056 0.000000 B\n0.821980 0.678020 0.500000 W\n0.178020 0.321980 0.500000 W\n0.678020 0.178020 0.500000 W\n0.321980 0.821980 0.500000 W\n",
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"density": 13.92307981287222,
"density_atomic": 0.09437099088490168,
"volume": 105.96476635702984,
"volume_molar": 6.38134738602546,
"formula_full": "Mn2 B4 W4",
"formula_reduced": "Mn(BW)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 6.151102481609195,
"spacegroup": 127
},
{
"id": "jvasp-62640",
"created_at": "2022-09-04T14:36:21.336075Z",
"updated_at": "2022-09-04T14:36:21.336101Z",
"structure_string": "Y4 Mn4 B16\n1.0\n3.427092 0.000000 0.000000\n0.000000 5.903585 -0.000000\n0.000000 0.000000 11.412728\nY Mn B\n4 4 16\ndirect\n0.000000 0.125693 0.849521 Y\n0.000000 0.874306 0.150479 Y\n0.000000 0.374306 0.349521 Y\n0.000000 0.625693 0.650479 Y\n0.000000 0.127041 0.583473 Mn\n0.000000 0.872958 0.416527 Mn\n0.000000 0.372958 0.083473 Mn\n0.000000 0.627041 0.916527 Mn\n0.500000 0.525042 0.190764 B\n0.500000 0.474957 0.809236 B\n0.500000 0.887933 0.546279 B\n0.500000 0.112066 0.453721 B\n0.500000 0.612065 0.046279 B\n0.500000 0.387934 0.953722 B\n0.500000 0.861471 0.967898 B\n0.500000 0.780722 0.816494 B\n0.500000 0.638528 0.467898 B\n0.500000 0.361471 0.532102 B\n0.500000 0.025042 0.309236 B\n0.500000 0.219277 0.183506 B\n0.500000 0.719277 0.316494 B\n0.500000 0.280722 0.683506 B\n0.500000 0.138528 0.032102 B\n0.500000 0.974957 0.690764 B\n",
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"elements": [
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],
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"density": 5.381752568574043,
"density_atomic": 0.10393939655361836,
"volume": 230.9037842799031,
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"formula_full": "Y4 Mn4 B16",
"formula_reduced": "YMnB4",
"formula_anonymous": "ABC4",
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"spacegroup": 55
},
{
"id": "jvasp-86980",
"created_at": "2022-09-04T14:36:11.334997Z",
"updated_at": "2022-09-04T14:36:11.335031Z",
"structure_string": "B5 Mo2\n1.0\n3.025410 0.008103 6.774613\n1.450482 2.655046 6.774613\n0.013618 0.008103 7.419454\nB Mo\n5 2\ndirect\n0.500000 0.500000 0.499999 B\n0.815376 0.815374 0.815374 B\n0.331314 0.331313 0.331313 B\n0.668687 0.668686 0.668685 B\n0.184625 0.184625 0.184625 B\n0.924124 0.924122 0.924122 Mo\n0.075877 0.075877 0.075877 Mo\n",
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"Mo"
],
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"volume": 59.17967027737482,
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"formula_full": "B5 Mo2",
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"formula_anonymous": "A2B5",
"energy_above_hull": 5.619647816666666,
"spacegroup": 166
},
{
"id": "jvasp-62858",
"created_at": "2022-09-04T14:36:10.626690Z",
"updated_at": "2022-09-04T14:36:10.626724Z",
"structure_string": "B10 Mo4\n1.0\n1.955364 -3.386789 0.000000\n1.955364 3.386789 0.000000\n0.000000 0.000000 10.245996\nB Mo\n10 4\ndirect\n0.333332 0.666666 0.339235 B\n0.666666 0.333332 0.839235 B\n0.666666 0.333332 0.660765 B\n0.333332 0.666666 0.160765 B\n0.500000 -0.000001 0.000000 B\n-0.000001 0.500000 0.000000 B\n0.499999 0.499999 0.000000 B\n0.500000 -0.000001 0.500000 B\n-0.000001 0.500000 0.500000 B\n0.499999 0.499999 0.500000 B\n0.000000 0.000000 0.367943 Mo\n0.000000 0.000000 0.867943 Mo\n0.000000 0.000000 0.632058 Mo\n0.000000 0.000000 0.132058 Mo\n",
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"density": 6.018655687028882,
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"formula_full": "B10 Mo4",
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"formula_anonymous": "A2B5",
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{
"id": "jvasp-63267",
"created_at": "2022-09-04T14:36:01.095498Z",
"updated_at": "2022-09-04T14:36:01.095531Z",
"structure_string": "B2 Mo1\n1.0\n1.510468 -2.616207 0.000000\n1.510515 2.616234 0.000000\n0.000000 0.000000 3.376125\nB Mo\n2 1\ndirect\n0.666662 0.333322 0.500001 B\n0.333341 0.666679 0.500001 B\n0.000000 0.000000 0.000000 Mo\n",
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"spacegroup": 191
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{
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"created_at": "2022-09-04T14:35:52.142053Z",
"updated_at": "2022-09-04T14:35:52.142070Z",
"structure_string": "B2 Mo4\n1.0\n4.430029 0.017111 -1.238387\n-2.546912 3.624733 -1.238387\n-0.008848 -0.017111 4.599857\nB Mo\n2 4\ndirect\n0.750000 0.749999 -0.000001 B\n0.250000 0.250000 -0.000000 B\n0.830355 0.669645 0.499999 Mo\n0.330355 0.830354 0.160708 Mo\n0.169645 0.330355 0.500000 Mo\n0.669645 0.169645 0.839291 Mo\n",
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},
{
"id": "jvasp-20490",
"created_at": "2022-09-04T14:38:17.911827Z",
"updated_at": "2022-09-04T14:38:17.911837Z",
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},
{
"id": "jvasp-20228",
"created_at": "2022-09-04T14:37:50.528516Z",
"updated_at": "2022-09-04T14:37:50.528531Z",
"structure_string": "B4 Mo4\n1.0\n3.082646 0.000000 -0.556320\n-0.100398 3.081011 -0.556320\n-0.000917 -0.000948 8.813766\nB Mo\n4 4\ndirect\n0.470133 0.720133 0.440266 B\n0.220132 0.970133 0.940266 B\n0.529867 0.279866 0.559734 B\n0.779867 0.029867 0.059734 B\n0.322119 0.572119 0.144239 Mo\n0.072118 0.822118 0.644239 Mo\n0.677881 0.427881 0.855762 Mo\n0.927882 0.177881 0.355762 Mo\n",
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"formula_full": "B4 Mo4",
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"spacegroup": 141
}
]
}