La10Sb9Se

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296366 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

La10Sb9Se

MP-ID

mp-3296366

Elements

Sites

Density

6.1510

g/cm³

Volume

692.15

Å³

Cell a

7.9886

Cell b

9.2164

Cell c

10.2991

α Angle

102.89

β Angle

97.44

γ Angle

106.80

Space Group

P-1

Point Group

-1

Crystal System

Triclinic

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
27.36	3.2599	100.0	(2,-2,1)
27.37	3.2586	99.9	(1,2,0)
27.38	3.2579	99.9	(1,0,-3)
39.06	2.3058	38.5	(3,-2,-2)
39.08	2.3052	38.4	(3,0,1)
39.09	2.3042	38.4	(2,2,-3)
39.09	2.3041	38.4	(1,-4,1)
39.10	2.3036	38.4	(0,2,3)
39.12	2.3030	38.4	(1,-2,4)
48.34	1.8827	20.8	(4,0,-2)
48.37	1.8818	20.7	(2,-4,-2)
48.40	1.8808	20.7	(2,0,4)
48.40	1.8806	20.7	(0,4,-4)
56.46	1.6299	13.0	(4,-4,2)
56.48	1.6293	13.0	(2,4,0)
56.49	1.6289	13.0	(2,0,-6)
63.82	1.4584	8.9	(5,-4,-1)
63.84	1.4580	8.9	(5,-2,2)
63.85	1.4579	8.9	(4,-2,-5)
63.86	1.4577	8.9	(4,2,1)
63.87	1.4575	8.9	(3,-6,2)
63.87	1.4574	8.9	(3,4,-3)
63.88	1.4572	8.9	(3,2,-6)
63.88	1.4571	8.9	(0,6,-1)

Get direct link

Energy Properties

Formation Energy/atom

-1.61499

eV/atom

Energy/atom

-28.77080

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.7708

eV/atom

Volume/atom

34.61

Å³

c/a Ratio

1.2892

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 · 0.500

Element Family

Lanthanide

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8557

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.1142

J/mol·K

Ω Parameter

0.2037

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.174%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5111

smaller = more stable mixing

VEC

3.950

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-35.894

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7789

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.562

Family

La-rich Multi-Component

Matrix Element

La · 0.500

Related Tasks

Related computation task IDs (1)

aaahfohi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296366

Reference Citation

The crystal structure and related material properties of La10Sb9Se were obtained from the Materials Project database (MP-ID: mp-3296366, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_La10Sb9Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98857508
_cell_length_b   9.21637151
_cell_length_c   10.29911439
_cell_angle_alpha   102.89370399
_cell_angle_beta   97.44199974
_cell_angle_gamma   106.80053013
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La10Sb9Se
_chemical_formula_sum   'La10 Sb9 Se1'
_cell_volume   692.14694487
_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  0.89876017  0.55050449  0.80010471  1.0
  La  La1  1  0.70359690  0.14866742  0.40026648  1.0
  La  La2  1  0.49945716  0.74986363  0.99946848  1.0
  La  La3  1  0.70267522  0.65324656  0.40116971  1.0
  La  La4  1  0.29732478  0.34675344  0.59883029  1.0
  La  La5  1  0.10011151  0.95157827  0.20323955  1.0
  La  La6  1  0.50054284  0.25013637  0.00053152  1.0
  La  La7  1  0.29640310  0.85133258  0.59973352  1.0
  La  La8  1  0.10123983  0.44949551  0.19989529  1.0
  La  La9  1  0.89988849  0.04842173  0.79676045  1.0
  Sb  Sb10  1  0.80097385  0.60194019  0.10217607  1.0
  Sb  Sb11  1  0.59952010  0.19842618  0.69860190  1.0
  Sb  Sb12  1  0.40047990  0.80157382  0.30139810  1.0
  Sb  Sb13  1  0.80177796  0.09898308  0.09918083  1.0
  Sb  Sb14  1  0.19902615  0.39805981  0.89782393  1.0
  Sb  Sb15  1  0.59605572  0.69936374  0.69746283  1.0
  Sb  Sb16  1  0.40394428  0.30063626  0.30253717  1.0
  Sb  Sb17  1  0.19822204  0.90101692  0.90081917  1.0
  Sb  Sb18  1  0.00000000  0.50000000  0.50000000  1.0
  Se  Se19  1  0.00000000  0.00000000  0.50000000  1.0

Get direct link