La10SnBi5P2

High-Entropy Materials HEA

MP-ID: mp-3294655 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

La10SnBi5P2

MP-ID

mp-3294655

Elements

Sites

Density

7.5026

g/cm³

Volume

578.69

Å³

Cell a

9.6934

Cell b

9.6934

Cell c

7.0977

α Angle

90.00

β Angle

90.00

γ Angle

119.81

Space Group

Amm2

Point Group

mm2

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
10.52	8.4111	2.7	(1,0,-1,0)
10.55	8.3866	6.9	(1,-1,0,0)
16.34	5.4244	1.6	(1,0,-1,1)
18.25	4.8609	2.0	(1,1,-2,0)
18.30	4.8467	1.1	(2,-1,-1,0)
21.13	4.2055	2.0	(2,0,-2,0)
22.17	4.0105	5.9	(1,1,-2,1)
22.21	4.0025	15.0	(2,-1,-1,1)
25.09	3.5489	45.9	(0,0,0,2)
27.27	3.2697	10.0	(1,0,-1,2)
27.29	3.2683	1.4	(1,-1,0,2)
28.04	3.1817	15.0	(2,1,-3,0)
28.10	3.1751	7.4	(3,-1,-2,0)
28.10	3.1751	7.4	(1,-3,2,0)
28.14	3.1711	9.1	(3,-2,-1,0)
30.80	2.9034	62.7	(2,1,-3,1)
30.85	2.8983	62.3	(3,-1,-2,1)
30.88	2.8953	80.7	(3,-2,-1,1)
31.21	2.8662	58.0	(1,1,-2,2)
31.24	2.8633	100.0	(2,-1,-1,2)
31.92	2.8037	29.2	(3,0,-3,0)
31.92	2.8037	29.2	(0,3,-3,0)
32.02	2.7955	25.8	(3,-3,0,0)
33.03	2.7122	14.9	(2,0,-2,2)

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Energy Properties

Formation Energy/atom

-1.26611

eV/atom

Energy/atom

-36.41664

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-36.4166

eV/atom

Volume/atom

32.15

Å³

c/a Ratio

0.7322

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.2705

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.007380

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

La · 0.556

Element Family

Lanthanide

Solute Fraction

0.444

Interstitial Fraction

0.111

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0871

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.0379

J/mol·K

Ω Parameter

0.1641

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.144%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4776

smaller = more stable mixing

VEC

3.833

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-48.327

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7842

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfltn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294655

Reference Citation

The crystal structure and related material properties of La10SnBi5P2 were obtained from the Materials Project database (MP-ID: mp-3294655, 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_La10SnBi5P2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.69343497
_cell_length_b   9.69343401
_cell_length_c   7.09769817
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.80673389
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La10SnBi5P2
_chemical_formula_sum   'La10 Sn1 Bi5 P2'
_cell_volume   578.69003845
_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  0.75956117  0.75956117  0.75000000  1.0
  La  La1  1  0.24077044  0.00411464  0.75000000  1.0
  La  La2  1  0.00411464  0.24077044  0.75000000  1.0
  La  La3  1  0.24002125  0.24002125  0.25000000  1.0
  La  La4  1  0.76121258  0.00049304  0.25000000  1.0
  La  La5  1  0.00049304  0.76121258  0.25000000  1.0
  La  La6  1  0.66339966  0.33395150  0.99820944  1.0
  La  La7  1  0.33395150  0.66339966  0.99820944  1.0
  La  La8  1  0.33395150  0.66339966  0.50179056  1.0
  La  La9  1  0.66339966  0.33395150  0.50179056  1.0
  Sn  Sn10  1  0.39743779  0.39743779  0.75000000  1.0
  Bi  Bi11  1  0.60381949  0.00030488  0.75000000  1.0
  Bi  Bi12  1  0.00030488  0.60381949  0.75000000  1.0
  Bi  Bi13  1  0.60341956  0.60341956  0.25000000  1.0
  Bi  Bi14  1  0.39658424  0.99923558  0.25000000  1.0
  Bi  Bi15  1  0.99923558  0.39658424  0.25000000  1.0
  P  P16  1  0.99916252  0.99916252  0.00063680  1.0
  P  P17  1  0.99916252  0.99916252  0.49936320  1.0

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