BaPm
Traditional Materials TRAMP-ID: mp-1183293 · Space group: P-6m2 (#187)
Basic Information
Formula
BaPm
MP-ID
mp-1183293
Elements
2
Sites
2
Density
5.2725
g/cm³
Volume
88.92
ų
Cell a
3.9676
Å
Cell b
3.9675
Å
Cell c
6.5226
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
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 |
|---|---|---|---|
| 25.93 | 3.4360 | 23.1 | (1,0,-1,0) |
| 25.93 | 3.4359 | 11.5 | (0,1,-1,0) |
| 27.35 | 3.2613 | 40.0 | (0,0,0,2) |
| 29.38 | 3.0400 | 100.0 | (1,0,-1,1) |
| 29.38 | 3.0399 | 50.0 | (0,1,-1,1) |
| 38.04 | 2.3654 | 16.8 | (1,0,-1,2) |
| 38.04 | 2.3654 | 8.4 | (0,1,-1,2) |
| 45.74 | 1.9838 | 9.8 | (2,-1,-1,0) |
| 45.74 | 1.9837 | 19.6 | (1,1,-2,0) |
| 49.62 | 1.8373 | 23.2 | (1,0,-1,3) |
| 49.62 | 1.8373 | 11.6 | (0,1,-1,3) |
| 53.33 | 1.7180 | 3.2 | (2,0,-2,0) |
| 53.33 | 1.7180 | 1.6 | (0,2,-2,0) |
| 54.11 | 1.6949 | 11.9 | (2,-1,-1,2) |
| 54.11 | 1.6948 | 23.9 | (1,1,-2,2) |
| 55.30 | 1.6613 | 16.8 | (2,0,-2,1) |
| 55.30 | 1.6613 | 8.4 | (0,2,-2,1) |
| 56.43 | 1.6307 | 5.3 | (0,0,0,4) |
| 60.95 | 1.5200 | 4.2 | (2,0,-2,2) |
| 60.95 | 1.5200 | 2.1 | (0,2,-2,2) |
| 63.11 | 1.4732 | 3.8 | (1,0,-1,4) |
| 63.11 | 1.4732 | 1.9 | (0,1,-1,4) |
| 69.77 | 1.3480 | 8.4 | (2,0,-2,3) |
| 69.77 | 1.3480 | 4.2 | (0,2,-2,3) |
Energy Properties
Formation Energy/atom
0.24826
eV/atom
Energy/atom
-3.08650
eV/atom
Energy above Hull
0.2483
eV/atom
Uncorrected Energy
-3.0865
eV/atom
Volume/atom
44.46
ų
c/a Ratio
1.6440
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.5435
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.006110
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ba · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.379
Family
Binary Alloy
Matrix Element
Ba · 0.500
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1183293
Reference Citation
The crystal structure and related material properties of BaPm were obtained from the Materials Project database (MP-ID: mp-1183293, 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_BaPm
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96755400
_cell_length_b 3.96746778
_cell_length_c 6.52262400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00071886
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaPm
_chemical_formula_sum 'Ba1 Pm1'
_cell_volume 88.91726282
_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
Ba Ba0 1 0.66665600 0.33330800 0.74999900 1.0
Pm Pm1 1 0.33334700 0.66669300 0.24999800 1.0
