LaPm3
Traditional Materials TRAMP-ID: mp-976823 · Space group: P6_3/mmc (#194)
Basic Information
Formula
LaPm3
MP-ID
mp-976823
Elements
2
Sites
8
Density
6.6224
g/cm³
Volume
287.81
ų
Cell a
7.5226
Å
Cell b
7.5226
Å
Cell c
5.8727
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
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 |
|---|---|---|---|
| 27.38 | 3.2574 | 11.9 | (2,0,-2,0) |
| 27.38 | 3.2574 | 23.8 | (2,-2,0,0) |
| 30.44 | 2.9363 | 36.2 | (0,0,0,2) |
| 31.40 | 2.8486 | 50.0 | (2,0,-2,1) |
| 31.40 | 2.8486 | 100.0 | (2,-2,0,1) |
| 41.40 | 2.1810 | 7.8 | (2,0,-2,2) |
| 41.40 | 2.1810 | 7.8 | (0,2,-2,2) |
| 41.40 | 2.1810 | 7.8 | (2,-2,0,2) |
| 48.40 | 1.8807 | 20.0 | (4,-2,-2,0) |
| 48.40 | 1.8807 | 10.0 | (2,-4,2,0) |
| 54.70 | 1.6779 | 10.4 | (2,0,-2,3) |
| 54.70 | 1.6779 | 10.4 | (0,2,-2,3) |
| 54.70 | 1.6779 | 10.4 | (2,-2,0,3) |
| 56.50 | 1.6287 | 1.6 | (4,0,-4,0) |
| 56.50 | 1.6287 | 1.6 | (0,4,-4,0) |
| 56.50 | 1.6287 | 1.6 | (4,-4,0,0) |
| 58.26 | 1.5837 | 22.9 | (4,-2,-2,2) |
| 58.26 | 1.5837 | 11.5 | (2,-4,2,2) |
| 58.84 | 1.5695 | 8.4 | (4,0,-4,1) |
| 58.84 | 1.5695 | 16.7 | (4,-4,0,1) |
| 63.35 | 1.4682 | 4.5 | (0,0,0,4) |
| 65.54 | 1.4243 | 2.0 | (4,0,-4,2) |
| 65.54 | 1.4243 | 4.0 | (4,-4,0,2) |
| 70.33 | 1.3385 | 1.6 | (2,0,-2,4) |
Energy Properties
Formation Energy/atom
0.02931
eV/atom
Energy/atom
-29.56234
eV/atom
Energy above Hull
0.0293
eV/atom
Uncorrected Energy
-29.5623
eV/atom
Volume/atom
35.98
ų
c/a Ratio
0.7807
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0045
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pm · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.702
Family
Binary Alloy
Matrix Element
Pm · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-976823
Reference Citation
The crystal structure and related material properties of LaPm3 were obtained from the Materials Project database (MP-ID: mp-976823, 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_LaPm3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.52263818
_cell_length_b 7.52263328
_cell_length_c 5.87265813
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99997506
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaPm3
_chemical_formula_sum 'La2 Pm6'
_cell_volume 287.80976544
_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
La La0 1 0.66666800 0.33333300 0.25000100 1.0
La La1 1 0.33333400 0.66666800 0.75000000 1.0
Pm Pm2 1 0.83391649 0.16608251 0.75000000 1.0
Pm Pm3 1 0.33216603 0.16608251 0.75000000 1.0
Pm Pm4 1 0.83391849 0.66783397 0.75000000 1.0
Pm Pm5 1 0.16608251 0.83391649 0.25000100 1.0
Pm Pm6 1 0.66783297 0.83391649 0.25000100 1.0
Pm Pm7 1 0.16608251 0.33216603 0.25000100 1.0
