La(CuSn)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-636264 · Space group: P4/nmm (#129)

Materials Project API

Basic Information

Formula

La(CuSn)2

MP-ID

mp-636264

Elements

Sites

Density

7.7905

g/cm³

Volume

214.61

Å³

Cell a

4.4900

Cell b

4.4900

Cell c

10.6453

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/nmm

Point Group

4/mmm

Crystal System

Tetragonal

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
16.66	5.3227	4.8	(0,0,2)
25.10	3.5484	10.1	(0,0,3)
25.96	3.4320	1.8	(1,0,-2)
28.11	3.1749	12.5	(1,-1,0)
28.11	3.1749	12.5	(1,1,0)
29.36	3.0425	5.9	(1,-1,-1)
29.36	3.0425	5.9	(1,1,1)
29.36	3.0425	5.9	(1,-1,1)
29.36	3.0424	5.9	(1,1,-1)
32.15	2.7840	31.5	(0,1,3)
32.15	2.7840	31.5	(1,0,-3)
32.15	2.7840	31.5	(1,0,3)
32.15	2.7840	31.5	(0,1,-3)
32.85	2.7267	50.0	(1,-1,-2)
32.85	2.7267	50.0	(1,1,2)
32.85	2.7267	100.0	(1,1,-2)
33.68	2.6613	7.4	(0,0,4)
40.17	2.2450	69.1	(2,0,0)
40.17	2.2450	69.1	(0,2,0)
44.42	2.0396	11.9	(1,-1,-4)
44.42	2.0396	11.9	(1,1,4)
44.42	2.0396	11.9	(1,1,-4)
44.42	2.0396	11.9	(1,-1,4)
47.25	1.9237	12.3	(0,1,5)

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Energy Properties

Formation Energy/atom

-0.50563

eV/atom

Energy/atom

-20.69178

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-20.6918

eV/atom

Volume/atom

21.46

Å³

c/a Ratio

2.3709

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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

Cu · 0.400

Element Family

3d-TM

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

0.3953

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.246%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3331

smaller = more stable mixing

VEC

6.600

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-21.830

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.633

Family

Cu-rich Multi-Component

Matrix Element

Cu · 0.400

Related Tasks

Related computation task IDs (5)

aaadnerp aaadsndn aaaemjun aaaeubik aaafcsdt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-636264

Reference Citation

The crystal structure and related material properties of La(CuSn)2 were obtained from the Materials Project database (MP-ID: mp-636264, 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_La(CuSn)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48995230
_cell_length_b   4.48994585
_cell_length_c   10.64531724
_cell_angle_alpha   89.99987305
_cell_angle_beta   90.00002372
_cell_angle_gamma   90.00002603
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La(CuSn)2
_chemical_formula_sum   'La2 Cu4 Sn4'
_cell_volume   214.60579194
_cell_formula_units_Z   2
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  0.74999850  0.74999900  0.76069111  1.0
  La  La1  1  0.25000049  0.25000000  0.23926875  1.0
  Cu  Cu2  1  0.24999994  0.24999800  0.63456648  1.0
  Cu  Cu3  1  0.74999943  0.75000000  0.36545758  1.0
  Cu  Cu4  1  0.25000161  0.75000000  -0.00000300  1.0
  Cu  Cu5  1  0.74999799  0.25000100  0.00000014  1.0
  Sn  Sn6  1  0.74999963  0.25000000  0.49999570  1.0
  Sn  Sn7  1  0.24999969  0.25000000  0.87462166  1.0
  Sn  Sn8  1  0.74999972  0.75000100  0.12540593  1.0
  Sn  Sn9  1  0.24999999  0.75000000  0.49999466  1.0

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