LaMg14Fe

高熵材料 HEA 传统材料 TRA

MP-ID: mp-1027961 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

LaMg14Fe

MP-ID

mp-1027961

Elements

Sites

Density

2.4469

g/cm³

Volume

363.09

Å³

Cell a

6.5318

Cell b

6.0445

Cell c

10.3737

α Angle

90.00

β Angle

90.00

γ Angle

117.56

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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)

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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

Å³

c/a Ratio

1.5882

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0290

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000080

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.875

Element Family

Alkali-AlkEarth

Solute Fraction

0.125

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.4634

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

3.8528

J/mol·K

Ω Parameter

1.4106

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.621%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1389

smaller = more stable mixing

VEC

2.438

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.719

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaacgmqz

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…

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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

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