Tb2Y2(Zn3Cd)3
MP-ID: mp-3295864 · Space group: Pm (#6)
Basic Information
Formula
Tb2Y2(Zn3Cd)3
MP-ID
mp-3295864
Elements
4
Sites
16
Density
7.6325
g/cm³
Volume
309.28
ų
Cell a
4.3566
Å
Cell b
7.0437
Å
Cell c
10.0787
Å
α Angle
89.94
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mP
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 8.77 | 10.0787 | 2.6 | (0,0,1) |
| 12.57 | 7.0437 | 3.9 | (0,1,0) |
| 15.34 | 5.7763 | 4.8 | (0,1,1) |
| 15.35 | 5.7707 | 8.3 | (0,1,-1) |
| 17.60 | 5.0394 | 1.3 | (0,0,2) |
| 21.69 | 4.0964 | 1.1 | (0,1,-2) |
| 22.23 | 3.9990 | 1.2 | (1,0,1) |
| 24.02 | 3.7051 | 5.4 | (1,1,0) |
| 25.29 | 3.5219 | 1.7 | (0,2,0) |
| 25.61 | 3.4782 | 4.3 | (1,1,1) |
| 25.62 | 3.4770 | 5.4 | (1,1,-1) |
| 26.53 | 3.3596 | 1.9 | (0,0,3) |
| 26.82 | 3.3236 | 6.2 | (0,2,-1) |
| 27.06 | 3.2957 | 6.6 | (1,0,2) |
| 29.44 | 3.0336 | 4.4 | (0,1,3) |
| 29.47 | 3.0311 | 4.9 | (0,1,-3) |
| 29.92 | 2.9859 | 32.0 | (1,1,2) |
| 29.94 | 2.9844 | 14.9 | (1,1,-2) |
| 30.96 | 2.8882 | 3.0 | (0,2,2) |
| 32.70 | 2.7389 | 7.9 | (1,2,0) |
| 33.69 | 2.6604 | 21.0 | (1,0,3) |
| 33.91 | 2.6435 | 94.1 | (1,2,1) |
| 33.92 | 2.6425 | 62.4 | (1,2,-1) |
| 35.63 | 2.5197 | 22.7 | (0,0,4) |
Energy Properties
Formation Energy/atom
-0.39571
eV/atom
Energy/atom
-15.62011
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-15.6201
eV/atom
Volume/atom
19.33
ų
c/a Ratio
2.3135
Electronic Properties
Metallic
Non-metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295864
Reference Citation
The crystal structure and related material properties of Tb2Y2(Zn3Cd)3 were obtained from the Materials Project database (MP-ID: mp-3295864, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_Tb2Y2(Zn3Cd)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35657693
_cell_length_b 7.04371122
_cell_length_c 10.07872788
_cell_angle_alpha 89.94030857
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb2Y2(Zn3Cd)3
_chemical_formula_sum 'Tb2 Y2 Zn9 Cd3'
_cell_volume 309.28041052
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tb Tb0 1 0.25000000 0.30116936 0.67137234 1.0
Tb Tb1 1 0.75000000 0.69888520 0.33076157 1.0
Y Y2 1 0.25000000 0.80410592 0.82384060 1.0
Y Y3 1 0.75000000 0.19826115 0.17202642 1.0
Zn Zn4 1 0.75000000 0.96845757 0.59976867 1.0
Zn Zn5 1 0.75000000 0.29850331 0.46498105 1.0
Zn Zn6 1 0.25000000 0.69394011 0.53843871 1.0
Zn Zn7 1 0.75000000 0.81124190 0.03743378 1.0
Zn Zn8 1 0.25000000 0.18718319 0.96091429 1.0
Zn Zn9 1 0.75000000 0.59680321 0.64340232 1.0
Zn Zn10 1 0.25000000 0.41225155 0.35792806 1.0
Zn Zn11 1 0.75000000 0.08637554 0.84706712 1.0
Zn Zn12 1 0.25000000 0.91299400 0.14579322 1.0
Cd Cd13 1 0.25000000 0.53129430 0.09812236 1.0
Cd Cd14 1 0.75000000 0.46833218 0.90028190 1.0
Cd Cd15 1 0.25000000 0.03019950 0.40787060 1.0
