La11In9Ni4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-974045 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

La11In9Ni4

MP-ID

mp-974045

Elements

Sites

Density

7.0945

g/cm³

Volume

654.45

Å³

Cell a

13.5596

Cell b

13.5596

Cell c

3.8506

α Angle

90.00

β Angle

90.00

γ Angle

112.42

Space Group

Cmmm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

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
7.05	12.5346	1.6	(1,0,0)
23.10	3.8506	1.0	(0,0,1)
23.60	3.7705	4.6	(2,2,0)
23.69	3.7564	3.4	(3,-3,0)
26.56	3.3562	15.8	(4,-1,0)
26.68	3.3415	2.6	(2,-1,1)
27.18	3.2808	5.7	(2,0,1)
28.07	3.1791	9.9	(2,-2,1)
28.48	3.1336	11.3	(4,0,0)
29.49	3.0292	25.9	(2,1,1)
29.89	2.9898	1.5	(3,2,0)
30.52	2.9294	21.7	(3,-1,1)
31.12	2.8741	21.6	(3,-2,1)
31.60	2.8315	26.7	(3,0,1)
31.76	2.8173	2.0	(4,-4,0)
31.97	2.7992	5.3	(4,1,0)
33.04	2.7114	7.5	(5,-2,0)
33.26	2.6940	95.7	(2,2,1)
33.32	2.6888	100.0	(3,-3,1)
33.68	2.6612	73.9	(5,-1,0)
33.97	2.6391	14.4	(5,-3,0)
34.22	2.6202	10.1	(3,1,1)
35.44	2.5327	11.3	(4,-2,1)
35.48	2.5300	20.2	(4,-1,1)

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Energy Properties

Formation Energy/atom

-0.49701

eV/atom

Energy/atom

-4.75739

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-24.6849

eV/atom

Volume/atom

27.27

Å³

c/a Ratio

0.2840

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

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

La · 0.458

Element Family

Lanthanide

Solute Fraction

0.542

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0240

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.5136

J/mol·K

Ω Parameter

0.2678

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.599%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3615

smaller = more stable mixing

VEC

4.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-31.664

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9321

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.499

Family

La-rich Multi-Component

Matrix Element

La · 0.458

Related Tasks

Related computation task IDs (4)

aaadqdfh aaadvteo aaaeplpz aaagaahi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-974045

Reference Citation

The crystal structure and related material properties of La11In9Ni4 were obtained from the Materials Project database (MP-ID: mp-974045, 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_La11In9Ni4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.55957235
_cell_length_b   13.55957235
_cell_length_c   3.85054993
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.42077425
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La11In9Ni4
_chemical_formula_sum   'La11 In9 Ni4'
_cell_volume   654.45282739
_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  0.31370319  0.31370319  -0.00000000  1.0
  La  La1  1  0.68629681  0.68629681  -0.00000000  1.0
  La  La2  1  0.00000000  0.00000000  -0.00000000  1.0
  La  La3  1  0.07835467  0.41732064  -0.00000000  1.0
  La  La4  1  0.92164533  0.58267936  -0.00000000  1.0
  La  La5  1  0.41732064  0.07835467  -0.00000000  1.0
  La  La6  1  0.58267936  0.92164533  -0.00000000  1.0
  La  La7  1  0.83851533  0.16148467  -0.00000000  1.0
  La  La8  1  0.16148467  0.83851533  -0.00000000  1.0
  La  La9  1  0.62476720  0.37523280  -0.00000000  1.0
  La  La10  1  0.37523280  0.62476720  -0.00000000  1.0
  In  In11  1  0.83456899  0.36611264  0.50000000  1.0
  In  In12  1  0.16543101  0.63388736  0.50000000  1.0
  In  In13  1  0.36611264  0.83456899  0.50000000  1.0
  In  In14  1  0.63388736  0.16543101  0.50000000  1.0
  In  In15  1  0.08371363  0.22109898  0.50000000  1.0
  In  In16  1  0.91628637  0.77890102  0.50000000  1.0
  In  In17  1  0.22109898  0.08371363  0.50000000  1.0
  In  In18  1  0.77890102  0.91628637  0.50000000  1.0
  In  In19  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni20  1  0.24158530  0.44686362  0.50000000  1.0
  Ni  Ni21  1  0.75841470  0.55313638  0.50000000  1.0
  Ni  Ni22  1  0.44686362  0.24158530  0.50000000  1.0
  Ni  Ni23  1  0.55313638  0.75841470  0.50000000  1.0

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