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{
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{
"id": "jvasp-35530",
"created_at": "2022-09-04T14:37:51.718641Z",
"updated_at": "2022-09-04T14:37:51.718668Z",
"structure_string": "Tb2 B4 C1\n1.0\n-3.283847 -0.000000 -0.000000\n-1.641923 -3.281780 3.823415\n-1.641923 3.281780 3.823415\nTb B C\n2 4 1\ndirect\n0.265522 0.234478 0.234478 Tb\n0.734476 0.765523 0.765523 Tb\n0.499999 0.365606 0.634395 B\n0.499999 0.634395 0.365606 B\n-0.000002 0.773176 0.226825 B\n-0.000002 0.226825 0.773176 B\n0.000000 0.000000 0.000000 C\n",
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{
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"created_at": "2022-09-04T14:36:10.982438Z",
"updated_at": "2022-09-04T14:36:10.982460Z",
"structure_string": "Tb10 B2 Br15\n1.0\n8.959075 -0.008841 0.000092\n-3.459518 9.088318 0.005814\n-4.379009 -1.895159 9.392372\nTb B Br\n10 2 15\ndirect\n0.275094 0.924338 0.950473 Tb\n0.801544 0.411473 0.279987 Tb\n0.674888 0.743523 0.819693 Tb\n0.325111 0.256477 0.180306 Tb\n0.525020 0.701587 0.096606 Tb\n0.198454 0.588527 0.720012 Tb\n0.584016 0.038123 0.325717 Tb\n0.415983 0.961877 0.674282 Tb\n0.724905 0.075662 0.049526 Tb\n0.474979 0.298413 0.903394 Tb\n0.532573 0.181780 0.123800 B\n0.467425 0.818220 0.876200 B\n0.717897 0.243622 0.819958 Br\n0.356615 0.116464 0.418168 Br\n0.885973 0.295833 0.534421 Br\n0.114026 0.704167 0.465578 Br\n0.282102 0.756378 0.180041 Br\n0.062490 0.348107 0.232564 Br\n0.841855 0.942396 0.301516 Br\n0.594524 0.541865 0.350937 Br\n0.405475 0.458135 0.649062 Br\n0.777181 0.592730 0.059227 Br\n0.222818 0.407270 0.940772 Br\n0.643384 0.883536 0.581831 Br\n0.158144 0.057604 0.698483 Br\n0.937509 0.651893 0.767435 Br\n0.000000 0.000000 0.000000 Br\n",
"nsites": 27,
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],
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"volume": 764.5703117637913,
"volume_molar": 17.053148290217166,
"formula_full": "Tb10 B2 Br15",
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"formula_anonymous": "A2B10C15",
"energy_above_hull": 0.9840855830246912,
"spacegroup": 2
},
{
"id": "jvasp-116465",
"created_at": "2022-09-04T14:38:42.599378Z",
"updated_at": "2022-09-04T14:38:42.599406Z",
"structure_string": "Tb4 As4 Pd4\n1.0\n4.151027 0.000000 0.000000\n0.000000 7.098422 0.000000\n0.000000 0.000000 7.979121\nTb As Pd\n4 4 4\ndirect\n0.250000 0.530867 0.306845 Tb\n0.250000 0.030867 0.193155 Tb\n0.750001 0.469133 0.693155 Tb\n0.750001 0.969133 0.806845 Tb\n0.250000 0.247618 0.880641 As\n0.250000 0.747618 0.619358 As\n0.750001 0.752381 0.119358 As\n0.750001 0.252382 0.380642 As\n0.250000 0.644404 0.937068 Pd\n0.250000 0.144404 0.562932 Pd\n0.750001 0.355596 0.062932 Pd\n0.750001 0.855596 0.437068 Pd\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "As-Pd-Tb",
"density": 9.612944464484018,
"density_atomic": 0.051039783355266766,
"volume": 235.11071582089164,
"volume_molar": 11.79891520714807,
"formula_full": "Tb4 As4 Pd4",
"formula_reduced": "TbAsPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.202748616666667,
"spacegroup": 62
},
{
"id": "jvasp-9393",
"created_at": "2022-09-04T14:36:49.733638Z",
"updated_at": "2022-09-04T14:36:49.733657Z",
"structure_string": "Tb2 As2 O8\n1.0\n5.720125 0.011798 -1.704087\n-3.176462 4.757107 -1.704087\n-0.006293 -0.011798 5.968559\nTb As O\n2 2 8\ndirect\n0.375001 0.625000 0.750000 Tb\n0.625001 0.375000 0.250000 Tb\n0.875001 0.125000 0.750000 As\n0.125001 0.875001 0.250000 As\n0.300960 0.232943 0.431984 O\n0.868977 0.300959 0.568016 O\n0.232943 0.300959 0.931984 O\n0.300960 0.868976 0.068016 O\n0.131025 0.699041 0.431984 O\n0.699042 0.767058 0.568016 O\n0.699042 0.131025 0.931984 O\n0.767059 0.699042 0.068016 O\n",
"nsites": 12,
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"elements": [
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"As",
"O"
],
"chemical_system": "As-O-Tb",
"density": 6.090697988371007,
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"volume": 162.40585627236985,
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"formula_full": "Tb2 As2 O8",
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"formula_anonymous": "ABC4",
"energy_above_hull": 2.054510691666667,
"spacegroup": 141
},
{
"id": "jvasp-85901",
"created_at": "2022-09-04T14:35:56.200132Z",
"updated_at": "2022-09-04T14:35:56.200161Z",
"structure_string": "Tb2 Al3 Si2\n1.0\n4.070173 0.000000 -0.000000\n-2.035087 5.034654 -0.989127\n-0.000000 0.001462 6.663214\nTb Al Si\n2 3 2\ndirect\n0.380363 0.760727 0.678554 Tb\n0.619635 0.239272 0.321445 Tb\n0.694600 0.389200 0.866200 Al\n0.000000 0.000000 0.000000 Al\n0.305398 0.610799 0.133799 Al\n0.906700 0.813403 0.360611 Si\n0.093298 0.186595 0.639387 Si\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Al",
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],
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"density": 5.532779478338225,
"density_atomic": 0.05126406717794774,
"volume": 136.54788598223413,
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"formula_full": "Tb2 Al3 Si2",
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"formula_anonymous": "A2B2C3",
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"spacegroup": 12
},
{
"id": "jvasp-86397",
"created_at": "2022-09-04T14:36:17.050256Z",
"updated_at": "2022-09-04T14:36:17.050280Z",
"structure_string": "Tb2 Al3 Si2\n1.0\n4.070192 -0.000000 -0.000000\n-2.035097 5.034680 -0.989154\n-0.000000 0.001427 6.663221\nTb Al Si\n2 3 2\ndirect\n0.380357 0.760716 0.678563 Tb\n0.619642 0.239285 0.321438 Tb\n0.694581 0.389162 0.866200 Al\n0.000000 0.000000 0.000000 Al\n0.305418 0.610839 0.133800 Al\n0.906700 0.813404 0.360613 Si\n0.093299 0.186597 0.639387 Si\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Al",
"Si"
],
"chemical_system": "Al-Si-Tb",
"density": 5.532724970796195,
"density_atomic": 0.051263562137342525,
"volume": 136.54923123067383,
"volume_molar": 11.747409873441512,
"formula_full": "Tb2 Al3 Si2",
"formula_reduced": "Tb2Al3Si2",
"formula_anonymous": "A2B2C3",
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"spacegroup": 12
},
{
"id": "jvasp-16239",
"created_at": "2022-09-04T14:37:42.198591Z",
"updated_at": "2022-09-04T14:37:42.198613Z",
"structure_string": "Tb1 Al2 Si2\n1.0\n2.111407 -3.657064 -0.000000\n2.111407 3.657064 0.000000\n-0.000000 0.000000 6.614722\nTb Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.666667 0.333334 0.645571 Al\n0.333334 0.666667 0.354429 Al\n0.666667 0.333334 0.260326 Si\n0.333334 0.666667 0.739673 Si\n",
"nsites": 5,
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],
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"formula_full": "Tb1 Al2 Si2",
"formula_reduced": "Tb(AlSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.27619624,
"spacegroup": 164
},
{
"id": "jvasp-88743",
"created_at": "2022-09-04T14:36:09.997028Z",
"updated_at": "2022-09-04T14:36:09.997038Z",
"structure_string": "Tb24 Al12 Si4\n1.0\n9.939638 -0.092635 -5.183811\n-6.262898 9.259772 -0.842390\n-0.062655 0.092635 11.210012\nTb Al Si\n24 12 4\ndirect\n0.740964 0.570276 0.438370 Tb\n0.836979 0.668489 0.168490 Tb\n0.500000 0.831510 0.668490 Tb\n0.868093 0.438370 0.697406 Tb\n0.868093 0.929723 0.670687 Tb\n0.131906 0.802593 0.061629 Tb\n0.740964 0.670687 0.802593 Tb\n0.259036 0.429724 0.561629 Tb\n0.163020 0.331510 0.831510 Tb\n0.740964 0.302593 0.170687 Tb\n0.868094 0.170687 0.429723 Tb\n0.131906 0.561630 0.302594 Tb\n0.131906 0.070277 0.329312 Tb\n0.868094 0.197406 0.938370 Tb\n0.259036 0.329312 0.197406 Tb\n0.500000 0.649013 0.149013 Tb\n0.500000 0.149013 0.649013 Tb\n0.740964 0.938370 0.070276 Tb\n0.500000 0.168490 0.331510 Tb\n0.500000 0.350987 0.850987 Tb\n0.259035 0.697406 0.829312 Tb\n0.259036 0.061630 0.929723 Tb\n0.131906 0.829312 0.570276 Tb\n0.500000 0.850987 0.350987 Tb\n0.260848 0.880424 0.380424 Al\n0.739151 0.119576 0.619576 Al\n0.500000 0.380424 0.119576 Al\n0.500000 0.617462 0.473764 Al\n0.500000 0.973764 0.117462 Al\n0.500000 0.026236 0.882537 Al\n0.143698 0.117463 0.617462 Al\n0.856301 0.882537 0.382537 Al\n0.143698 0.526236 0.026236 Al\n0.500000 0.382538 0.526236 Al\n0.856301 0.473764 0.973764 Al\n0.500000 0.619576 0.880424 Al\n-0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n-0.000000 0.250000 0.250000 Si\n-0.000000 0.750000 0.750000 Si\n",
"nsites": 40,
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"elements": [
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],
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"volume": 1026.0229159576133,
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"formula_full": "Tb24 Al12 Si4",
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"formula_anonymous": "AB3C6",
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"spacegroup": 140
},
{
"id": "jvasp-116587",
"created_at": "2022-09-04T14:38:43.748181Z",
"updated_at": "2022-09-04T14:38:43.748205Z",
"structure_string": "Tb2 Al20 Ru4\n1.0\n6.846541 0.013532 0.000000\n-0.804727 6.799097 0.000000\n0.000000 0.000000 9.159701\nTb Al Ru\n2 20 4\ndirect\n0.871927 0.128072 0.750000 Tb\n0.128072 0.871928 0.250000 Tb\n0.480845 0.217604 0.250000 Al\n0.519155 0.782396 0.750000 Al\n0.782396 0.519155 0.250000 Al\n0.217604 0.480845 0.750000 Al\n0.583781 0.853780 0.250000 Al\n0.416218 0.146221 0.750000 Al\n0.146220 0.416218 0.250000 Al\n0.853779 0.583782 0.750000 Al\n0.844775 0.155225 0.398959 Al\n0.155225 0.844775 0.601041 Al\n0.844775 0.155225 0.101041 Al\n0.224964 0.224964 -0.000000 Al\n0.775036 0.775036 -0.000000 Al\n0.775036 0.775036 0.500000 Al\n0.224964 0.224964 0.500000 Al\n0.624164 0.375836 0.954160 Al\n0.375836 0.624164 0.045840 Al\n0.375836 0.624164 0.454160 Al\n0.624164 0.375836 0.545840 Al\n0.155225 0.844775 0.898959 Al\n0.500000 -0.000000 -0.000000 Ru\n-0.000000 0.500000 0.500000 Ru\n-0.000000 0.500000 -0.000000 Ru\n0.500000 -0.000000 0.500000 Ru\n",
"nsites": 26,
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],
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"volume": 426.48654140885174,
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"formula_full": "Tb2 Al20 Ru4",
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"formula_anonymous": "AB2C10",
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},
{
"id": "jvasp-101103",
"created_at": "2022-09-04T14:36:35.478673Z",
"updated_at": "2022-09-04T14:36:35.478693Z",
"structure_string": "Tb2 Al3 Pt1\n1.0\n4.771654 0.011018 2.624223\n1.556700 4.510597 2.624223\n0.015421 0.011018 5.445641\nTb Al Pt\n2 3 1\ndirect\n0.625280 0.625282 0.625280 Tb\n0.374719 0.374720 0.374719 Tb\n-0.000000 0.500000 -0.000000 Al\n0.500000 0.000000 -0.000000 Al\n-0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Pt\n",
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{
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"created_at": "2022-09-04T14:37:29.506559Z",
"updated_at": "2022-09-04T14:37:29.506584Z",
"structure_string": "Tb4 Al4 Pd4\n1.0\n4.438949 0.000000 0.000000\n-0.000000 6.940754 0.000000\n0.000000 0.000000 7.802867\nTb Al Pd\n4 4 4\ndirect\n0.250000 0.532523 0.819675 Tb\n0.750000 0.467476 0.180325 Tb\n0.250000 0.032523 0.680326 Tb\n0.750000 0.967476 0.319675 Tb\n0.250000 0.644844 0.435995 Al\n0.750000 0.355155 0.564006 Al\n0.250000 0.144844 0.064006 Al\n0.750000 0.855155 0.935995 Al\n0.750000 0.727514 0.615837 Pd\n0.250000 0.272486 0.384163 Pd\n0.750000 0.227514 0.884164 Pd\n0.250000 0.772485 0.115837 Pd\n",
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],
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"volume": 240.4036248900888,
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"formula_full": "Tb4 Al4 Pd4",
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"spacegroup": 62
},
{
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"created_at": "2022-09-04T14:36:42.043317Z",
"updated_at": "2022-09-04T14:36:42.043338Z",
"structure_string": "Tb3 Al3 Pd3\n1.0\n3.583318 -6.206488 0.000000\n3.583318 6.206488 0.000000\n-0.000000 0.000000 4.063445\nTb Al Pd\n3 3 3\ndirect\n0.000000 0.416346 0.500001 Tb\n0.416346 0.000000 0.500001 Tb\n0.583655 0.583655 0.500001 Tb\n0.762021 0.000000 0.000000 Al\n0.237979 0.237979 0.000000 Al\n0.000000 0.762021 0.000000 Al\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n0.000000 0.000000 0.500001 Pd\n",
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}
]
}