LaMg14Ni

高熵材料 HEA 传统材料 TRA

MP-ID: mp-1028367 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

LaMg14Ni

MP-ID

mp-1028367

Elements

Sites

Density

2.4185

g/cm³

Volume

369.30

Å³

Cell a

6.6613

Cell b

6.0667

Cell c

10.2643

α Angle

90.00

β Angle

90.00

γ Angle

117.09

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
8.61	10.2643	100.0	(0,0,1)
14.94	5.9306	28.6	(1,0,0)
16.41	5.4012	10.3	(1,-1,0)
17.27	5.1351	38.2	(1,0,1)
17.28	5.1322	23.5	(0,0,2)
18.56	4.7798	11.0	(1,-1,1)
22.92	3.8808	17.6	(1,0,2)
23.92	3.7204	9.9	(1,-1,2)
26.04	3.4214	6.1	(0,0,3)
26.92	3.3124	4.4	(2,-1,0)
28.31	3.1523	7.4	(2,-1,1)
28.31	3.1523	7.4	(1,1,1)
29.45	3.0333	5.8	(1,-2,0)
30.14	2.9653	6.8	(2,0,0)
30.16	2.9636	10.3	(1,0,3)
30.74	2.9090	11.8	(1,-2,1)
30.94	2.8903	15.5	(1,-1,3)
31.40	2.8488	6.1	(2,0,1)
32.16	2.7831	13.6	(2,-1,2)
33.17	2.7006	46.7	(2,-2,0)
34.34	2.6117	14.4	(2,-2,1)
34.34	2.6113	8.7	(1,-2,2)
34.95	2.5675	77.5	(2,0,2)
34.97	2.5661	44.3	(0,0,4)

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Energy Properties

Formation Energy/atom

0.04632

eV/atom

Energy/atom

-2.05010

eV/atom

Energy above Hull

0.1051

eV/atom

Uncorrected Energy

-2.0501

eV/atom

Volume/atom

23.08

Å³

c/a Ratio

1.5409

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

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

0.4572

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.848%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1570

smaller = more stable mixing

VEC

2.563

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.344

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaacgngp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028367

Reference Citation

The crystal structure and related material properties of LaMg14Ni were obtained from the Materials Project database (MP-ID: mp-1028367, 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_LaMg14Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66129093
_cell_length_b   6.06664644
_cell_length_c   10.26429188
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.08847016
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg14Ni
_chemical_formula_sum   'La1 Mg14 Ni1'
_cell_volume   369.29602056
_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  0.11269721  0.80634811  0.12500000  1.0
  Mg  Mg1  1  0.15600118  0.32800009  0.62500000  1.0
  Mg  Mg2  1  0.16692361  0.83346131  0.62500000  1.0
  Mg  Mg3  1  0.60348489  0.31341625  0.12500000  1.0
  Mg  Mg4  1  0.66144402  0.32592834  0.62500000  1.0
  Mg  Mg5  1  0.60348489  0.79006764  0.12500000  1.0
  Mg  Mg6  1  0.66144402  0.83551468  0.62500000  1.0
  Mg  Mg7  1  0.34853018  0.17761939  0.37810875  1.0
  Mg  Mg8  1  0.34853018  0.17761939  0.87189125  1.0
  Mg  Mg9  1  0.34853018  0.67091178  0.37810875  1.0
  Mg  Mg10  1  0.34853018  0.67091178  0.87189125  1.0
  Mg  Mg11  1  0.88617798  0.19308949  0.32844058  1.0
  Mg  Mg12  1  0.88617798  0.19308949  0.92155942  1.0
  Mg  Mg13  1  0.82953208  0.66476654  0.39289878  1.0
  Mg  Mg14  1  0.82953208  0.66476654  0.85710122  1.0
  Ni  Ni15  1  0.20897933  0.35448917  0.12500000  1.0

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