Basic Information
Formula
LaMg14Fe
MP-ID
mp-1027961
Elements
3
Sites
16
Density
2.4469
g/cm³
Volume
363.09
ų
Cell a
6.5318
Å
Cell b
6.0445
Å
Cell c
10.3737
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
117.56
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 8.52 | 10.3737 | 87.4 | (0,0,1) |
| 15.30 | 5.7905 | 25.4 | (1,0,0) |
| 16.54 | 5.3586 | 9.6 | (1,-1,0) |
| 17.10 | 5.1868 | 19.9 | (0,0,2) |
| 17.54 | 5.0561 | 34.2 | (1,0,1) |
| 18.64 | 4.7609 | 6.5 | (1,-1,1) |
| 18.64 | 4.7609 | 6.5 | (0,1,1) |
| 23.02 | 3.8635 | 16.2 | (1,0,2) |
| 23.88 | 3.7269 | 11.1 | (1,-1,2) |
| 25.76 | 3.4579 | 5.9 | (0,0,3) |
| 27.41 | 3.2534 | 3.5 | (2,-1,0) |
| 28.76 | 3.1043 | 5.0 | (2,-1,1) |
| 28.76 | 3.1043 | 5.0 | (1,1,1) |
| 29.56 | 3.0223 | 5.0 | (1,-2,0) |
| 30.10 | 2.9688 | 9.4 | (1,0,3) |
| 30.77 | 2.9055 | 11.8 | (1,-1,3) |
| 30.82 | 2.9016 | 9.6 | (1,-2,1) |
| 30.89 | 2.8952 | 9.8 | (2,0,0) |
| 32.10 | 2.7887 | 6.8 | (2,0,1) |
| 32.49 | 2.7561 | 7.1 | (2,-1,2) |
| 33.44 | 2.6793 | 40.3 | (2,-2,0) |
| 34.34 | 2.6113 | 7.1 | (1,-2,2) |
| 34.58 | 2.5942 | 12.9 | (2,-2,1) |
| 34.59 | 2.5934 | 45.2 | (0,0,4) |
Energy Properties
Formation Energy/atom
0.13301
eV/atom
Energy/atom
-2.13153
eV/atom
Energy above Hull
0.1605
eV/atom
Uncorrected Energy
-2.1315
eV/atom
Volume/atom
22.69
ų
c/a Ratio
1.5882
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0290
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.000080
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.875
Element Family
N/A
Solute Fraction
0.125
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.716
Family
Mg-based Alloy
Matrix Element
Mg · 0.875
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1027961
Reference Citation
The crystal structure and related material properties of LaMg14Fe were obtained from the Materials Project database (MP-ID: mp-1027961, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_LaMg14Fe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.53174531
_cell_length_b 6.04454274
_cell_length_c 10.37364816
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 117.56180131
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaMg14Fe
_chemical_formula_sum 'La1 Mg14 Fe1'
_cell_volume 363.08554066
_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 0.13360918 0.81680409 0.12500000 1.0
Mg Mg1 1 0.15704202 0.32852051 0.62500000 1.0
Mg Mg2 1 0.16778810 0.83389355 0.62500000 1.0
Mg Mg3 1 0.62637593 0.32281397 0.12500000 1.0
Mg Mg4 1 0.65968316 0.32606480 0.62500000 1.0
Mg Mg5 1 0.62637593 0.80356096 0.12500000 1.0
Mg Mg6 1 0.65968316 0.83361736 0.62500000 1.0
Mg Mg7 1 0.34297721 0.17781837 0.37571086 1.0
Mg Mg8 1 0.34297721 0.17781837 0.87428914 1.0
Mg Mg9 1 0.34297721 0.66515984 0.37571086 1.0
Mg Mg10 1 0.34297721 0.66515984 0.87428914 1.0
Mg Mg11 1 0.87115559 0.18557830 0.34335736 1.0
Mg Mg12 1 0.87115559 0.18557830 0.90664264 1.0
Mg Mg13 1 0.83501947 0.66751024 0.39143159 1.0
Mg Mg14 1 0.83501947 0.66751024 0.85856841 1.0
Fe Fe15 1 0.18518357 0.34259129 0.12500000 1.0
