Basic Information
Formula
LaPrIn2
MP-ID
mp-1006057
Elements
3
Sites
4
Density
6.9822
g/cm³
Volume
121.16
ų
Cell a
5.5542
Å
Cell b
5.5542
Å
Cell c
5.5542
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
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 6)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 32.23 | 2.7771 | 100.0 | (2,1,1) |
| 46.23 | 1.9637 | 18.2 | (2,2,0) |
| 57.48 | 1.6034 | 37.5 | (3,1,0) |
| 67.45 | 1.3886 | 11.5 | (4,2,2) |
| 76.74 | 1.2420 | 15.9 | (3,2,-1) |
| 85.68 | 1.1338 | 4.0 | (4,4,4) |
Energy Properties
Formation Energy/atom
-0.62702
eV/atom
Energy/atom
-26.70349
eV/atom
Energy above Hull
0.0120
eV/atom
Uncorrected Energy
-26.7035
eV/atom
Volume/atom
30.29
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
51.388
GPa
GVRH
22.228
GPa
Young's Modulus E
58.281
GPa
Poisson Ratio ν
0.311
Pugh Ratio K/G
2.312
Vickers Hardness Est.
1.604
GPa
Ductility
Brittle
Anisotropy
2.938
Lame λ
36.569
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
In · 0.500
Element Family
PostTransition-Noble
Solute Fraction
0.500
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
2.9380
Homogeneous Poisson ν
0.3110
Debye Temperature
212.3
K
Sound Velocity
1,995.8
m/s
Homogeneity
0.3110
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1006057
Reference Citation
The crystal structure and related material properties of LaPrIn2 were obtained from the Materials Project database (MP-ID: mp-1006057, 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_LaPrIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55423214
_cell_length_b 5.55423214
_cell_length_c 5.55423214
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaPrIn2
_chemical_formula_sum 'La1 Pr1 In2'
_cell_volume 121.15939153
_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
La La0 1 0.50000000 0.50000000 0.50000000 1.0
Pr Pr1 1 -0.00000000 -0.00000000 -0.00000000 1.0
In In2 1 0.75000000 0.75000000 0.75000000 1.0
In In3 1 0.25000000 0.25000000 0.25000000 1.0
