CrPb2
Traditional Materials TRAMP-ID: mp-1072023 · Space group: C2/m (#12)
Basic Information
Formula
CrPb2
MP-ID
mp-1072023
Elements
2
Sites
6
Density
9.6637
g/cm³
Volume
160.28
ų
Cell a
6.2494
Å
Cell b
6.2494
Å
Cell c
6.4576
Å
α Angle
63.01
°
β Angle
63.01
°
γ Angle
47.00
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
Stability
No
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 |
|---|---|---|---|
| 15.79 | 5.6114 | 6.0 | (0,0,1) |
| 16.98 | 5.2227 | 2.2 | (1,1,1) |
| 17.81 | 4.9801 | 1.2 | (1,1,0) |
| 19.92 | 4.4572 | 12.0 | (1,0,0) |
| 22.56 | 3.9410 | 27.6 | (1,0,1) |
| 28.19 | 3.1654 | 2.8 | (1,0,-1) |
| 29.28 | 3.0500 | 27.0 | (1,1,-1) |
| 29.57 | 3.0205 | 30.6 | (2,1,1) |
| 31.90 | 2.8057 | 4.3 | (0,0,2) |
| 32.40 | 2.7631 | 98.2 | (2,1,0) |
| 33.77 | 2.6542 | 100.0 | (1,0,2) |
| 34.34 | 2.6113 | 48.5 | (2,2,2) |
| 34.95 | 2.5670 | 5.2 | (2,1,2) |
| 36.04 | 2.4921 | 45.2 | (1,-1,0) |
| 39.57 | 2.2776 | 1.5 | (1,-1,1) |
| 41.98 | 2.1523 | 1.0 | (2,1,-1) |
| 42.39 | 2.1325 | 6.4 | (1,1,3) |
| 43.85 | 2.0646 | 2.1 | (2,2,3) |
| 43.94 | 2.0608 | 4.0 | (3,2,1) |
| 44.20 | 2.0490 | 15.4 | (1,1,-2) |
| 46.66 | 1.9467 | 1.6 | (2,2,-1) |
| 47.09 | 1.9298 | 15.6 | (2,0,-1) |
| 48.88 | 1.8632 | 2.7 | (1,-1,2) |
| 48.91 | 1.8621 | 9.4 | (3,3,1) |
Energy Properties
Formation Energy/atom
0.50725
eV/atom
Energy/atom
-42.04062
eV/atom
Energy above Hull
0.5073
eV/atom
Uncorrected Energy
-5.1855
eV/atom
Volume/atom
26.71
ų
c/a Ratio
1.0333
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
8.4962
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.053010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pb · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.668
Family
Binary Alloy
Matrix Element
Pb · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1072023
Reference Citation
The crystal structure and related material properties of CrPb2 were obtained from the Materials Project database (MP-ID: mp-1072023, 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_CrPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24940477
_cell_length_b 6.24940477
_cell_length_c 6.45756109
_cell_angle_alpha 63.01044441
_cell_angle_beta 63.01044441
_cell_angle_gamma 47.00237275
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrPb2
_chemical_formula_sum 'Cr2 Pb4'
_cell_volume 160.28441647
_cell_formula_units_Z 2
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
Cr Cr0 1 0.82665500 0.82665500 0.60524000 1.0
Cr Cr1 1 0.17334500 0.17334500 0.39476000 1.0
Pb Pb2 1 0.17560000 0.17560000 0.89221300 1.0
Pb Pb3 1 0.82440000 0.82440000 0.10778700 1.0
Pb Pb4 1 0.53401300 0.53401300 0.70978100 1.0
Pb Pb5 1 0.46598700 0.46598700 0.29021900 1.0
