Basic Information
Formula
TbP
MP-ID
mp-645
Elements
2
Sites
2
Density
6.8235
g/cm³
Volume
46.21
ų
Cell a
4.0280
Å
Cell b
4.0280
Å
Cell c
4.0280
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
Stability
Yes
Packing Fraction
0.7405
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 |
|---|---|---|---|
| 27.11 | 3.2889 | 21.5 | (1,1,1) |
| 27.11 | 3.2889 | 64.5 | (1,0,0) |
| 31.41 | 2.8483 | 100.0 | (1,1,0) |
| 45.01 | 2.0140 | 12.2 | (1,2,1) |
| 45.01 | 2.0140 | 36.6 | (2,1,1) |
| 45.01 | 2.0140 | 24.4 | (1,0,-1) |
| 53.34 | 1.7176 | 3.5 | (2,2,1) |
| 53.34 | 1.7176 | 14.0 | (1,2,0) |
| 53.34 | 1.7176 | 24.5 | (2,1,0) |
| 55.91 | 1.6444 | 12.8 | (2,2,2) |
| 55.91 | 1.6444 | 6.4 | (2,0,0) |
| 55.91 | 1.6444 | 6.4 | (0,0,2) |
| 65.55 | 1.4241 | 4.0 | (2,2,0) |
| 65.55 | 1.4241 | 7.9 | (2,0,2) |
| 72.30 | 1.3069 | 1.4 | (2,3,2) |
| 72.30 | 1.3069 | 2.8 | (1,3,1) |
| 72.30 | 1.3069 | 5.6 | (2,2,3) |
| 72.30 | 1.3069 | 5.6 | (2,0,-1) |
| 72.30 | 1.3069 | 1.4 | (1,0,-2) |
| 74.49 | 1.2738 | 2.7 | (2,3,1) |
| 74.49 | 1.2738 | 5.5 | (3,2,1) |
| 74.49 | 1.2738 | 10.9 | (3,1,2) |
| 74.49 | 1.2738 | 10.9 | (2,1,-1) |
| 74.49 | 1.2738 | 2.7 | (1,-1,-2) |
Energy Properties
Formation Energy/atom
-1.85764
eV/atom
Energy/atom
-21.97189
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.9719
eV/atom
Volume/atom
23.11
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
85.585
GPa
GVRH
58.988
GPa
Young's Modulus E
143.903
GPa
Poisson Ratio ν
0.220
Pugh Ratio K/G
1.451
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
0.575
Lame λ
46.260
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tb · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.624
Family
Binary Alloy
Matrix Element
Tb · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-645
Reference Citation
The crystal structure and related material properties of TbP were obtained from the Materials Project database (MP-ID: mp-645, 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_TbP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02804372
_cell_length_b 4.02804427
_cell_length_c 4.02804325
_cell_angle_alpha 59.99999134
_cell_angle_beta 59.99998672
_cell_angle_gamma 59.99998582
_symmetry_Int_Tables_number 1
_chemical_formula_structural TbP
_chemical_formula_sum 'Tb1 P1'
_cell_volume 46.21334658
_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 0.50000000 0.50000000 0.50000000 1.0
P P1 1 -0.00000000 0.00000000 0.00000000 1.0
