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"structure_string": "K8 Cd2 Cl12\n1.0\n8.534477 0.008841 0.040875\n0.040722 8.534384 0.040875\n0.008875 0.008841 8.534569\nK Cd Cl\n8 2 12\ndirect\n0.629458 0.870541 0.250001 K\n0.249999 0.629458 0.870542 K\n0.870541 0.250000 0.629459 K\n0.370541 0.129458 0.750000 K\n0.750000 0.370541 0.129459 K\n0.129458 0.750000 0.370542 K\n0.750000 0.749999 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Cd\n0.000000 0.000000 0.000000 Cd\n0.942227 0.070708 0.298792 Cl\n0.570708 0.442227 0.798792 Cl\n0.201208 0.429291 0.557773 Cl\n0.557773 0.201208 0.429292 Cl\n0.429291 0.557772 0.201209 Cl\n0.929291 0.701208 0.057774 Cl\n0.057772 0.929291 0.701209 Cl\n0.701208 0.057773 0.929292 Cl\n0.798791 0.570708 0.442228 Cl\n0.442227 0.798791 0.570709 Cl\n0.298791 0.942227 0.070709 Cl\n0.070708 0.298791 0.942227 Cl\n",
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"density_atomic": 0.03213964319401061,
"volume": 622.2844441448904,
"volume_molar": 18.737422576994437,
"formula_full": "Ba4 Tl8 Hg8",
"formula_reduced": "Ba(TlHg)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 136
},
{
"id": "jvasp-76237",
"created_at": "2022-09-04T14:37:02.914537Z",
"updated_at": "2022-09-04T14:37:02.914550Z",
"structure_string": "Tb16 Cd4 Rh4\n1.0\n8.299929 0.000000 4.791966\n2.766643 7.825249 4.791966\n-0.000000 0.000000 9.583932\nTb Cd Rh\n16 4 4\ndirect\n0.949896 0.350034 0.350035 Tb\n0.189384 0.810615 0.810615 Tb\n0.563987 0.936013 0.936013 Tb\n0.936013 0.563987 0.563988 Tb\n0.810615 0.189384 0.189385 Tb\n0.936012 0.936013 0.563988 Tb\n0.350034 0.350034 0.350035 Tb\n0.189384 0.810615 0.189385 Tb\n0.350034 0.350034 0.949896 Tb\n0.810615 0.810615 0.189385 Tb\n0.810615 0.189384 0.810615 Tb\n0.563987 0.563987 0.936013 Tb\n0.189384 0.189384 0.810615 Tb\n0.936013 0.563987 0.936013 Tb\n0.563987 0.936013 0.563988 Tb\n0.350034 0.949896 0.350035 Tb\n0.255114 0.581629 0.581629 Cd\n0.581628 0.581629 0.581629 Cd\n0.581628 0.581629 0.255115 Cd\n0.581628 0.255115 0.581629 Cd\n0.142492 0.572525 0.142492 Rh\n0.142492 0.142492 0.572525 Rh\n0.142492 0.142492 0.142492 Rh\n0.572525 0.142492 0.142492 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"Cd",
"Rh"
],
"chemical_system": "Cd-Rh-Tb",
"density": 9.080954864501303,
"density_atomic": 0.03855626664125313,
"volume": 622.4669059198094,
"volume_molar": 15.619097191211539,
"formula_full": "Tb16 Cd4 Rh4",
"formula_reduced": "Tb4CdRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.155696058333333,
"spacegroup": 216
},
{
"id": "jvasp-54909",
"created_at": "2022-09-04T14:38:36.817780Z",
"updated_at": "2022-09-04T14:38:36.817804Z",
"structure_string": "Dy16 In4 Rh4\n1.0\n8.300005 -0.000000 4.792010\n2.766669 7.825319 4.792010\n0.000000 0.000000 9.584020\nDy In Rh\n16 4 4\ndirect\n0.810370 0.810370 0.189630 Dy\n0.950339 0.349888 0.349887 Dy\n0.810370 0.189630 0.810369 Dy\n0.189630 0.189630 0.810370 Dy\n0.349888 0.349888 0.349887 Dy\n0.937763 0.937763 0.562237 Dy\n0.937763 0.562237 0.562237 Dy\n0.562237 0.562237 0.937763 Dy\n0.562238 0.937763 0.562237 Dy\n0.349888 0.950338 0.349887 Dy\n0.937763 0.562237 0.937763 Dy\n0.349888 0.349888 0.950338 Dy\n0.562238 0.937763 0.937763 Dy\n0.189631 0.810370 0.189630 Dy\n0.810370 0.189630 0.189630 Dy\n0.189631 0.810370 0.810370 Dy\n0.583308 0.583308 0.250075 In\n0.250076 0.583308 0.583308 In\n0.583308 0.583308 0.583308 In\n0.583308 0.250076 0.583308 In\n0.142403 0.142403 0.572791 Rh\n0.142403 0.572792 0.142402 Rh\n0.572792 0.142403 0.142402 Rh\n0.142403 0.142403 0.142402 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Dy",
"In",
"Rh"
],
"chemical_system": "Dy-In-Rh",
"density": 9.258962649130904,
"density_atomic": 0.03855521468572732,
"volume": 622.4838895498231,
"volume_molar": 15.61952334875553,
"formula_full": "Dy16 In4 Rh4",
"formula_reduced": "Dy4InRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.390214828333333,
"spacegroup": 216
}
]
}