LaEu9(Sn3H)2

High-Entropy Materials HEA

MP-ID: mp-3296521 · Space group: I4/m (#87)

Materials Project API

Basic Information

Formula

LaEu9(Sn3H)2

MP-ID

mp-3296521

Elements

Sites

Density

6.7957

g/cm³

Volume

542.67

Å³

Cell a

9.6680

Cell b

9.6680

Cell c

9.6680

α Angle

128.18

β Angle

128.18

γ Angle

76.34

Space Group

I4/m

Point Group

4/m

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
11.64	7.6008	1.2	(1,1,-1)
24.10	3.6927	3.0	(2,0,0)
24.27	3.6672	2.9	(1,0,1)
24.27	3.6672	1.1	(1,-2,1)
27.82	3.2067	11.1	(2,2,-1)
29.49	3.0292	100.0	(2,1,0)
29.91	2.9874	5.1	(0,0,2)
29.91	2.9874	5.1	(2,-2,0)
31.67	2.8255	13.3	(3,1,-1)
31.67	2.8255	13.3	(3,1,-3)
33.54	2.6720	34.0	(1,-1,2)
33.54	2.6720	12.3	(2,-2,1)
35.43	2.5336	12.5	(3,3,-3)
37.99	2.3688	1.8	(3,2,-1)
37.99	2.3688	1.1	(4,1,-3)
38.60	2.3326	2.7	(4,2,-3)
38.88	2.3162	1.2	(1,0,2)
38.88	2.3162	1.9	(0,1,-3)
41.30	2.1858	1.6	(3,1,0)
41.56	2.1729	2.5	(4,2,-2)
42.50	2.1271	3.6	(2,1,1)
42.81	2.1124	1.2	(2,-2,-2)
42.81	2.1124	1.2	(2,-2,2)
44.62	2.0310	2.7	(1,-2,-2)

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Energy Properties

Formation Energy/atom

-0.79913

eV/atom

Energy/atom

-30.34469

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.3447

eV/atom

Volume/atom

30.15

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

62.0008

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.114250

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Eu · 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

1.1175

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.2908

J/mol·K

Ω Parameter

3.2611

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

31.444%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4188

smaller = more stable mixing

VEC

5.111

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.238

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8061

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfonh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296521

Reference Citation

The crystal structure and related material properties of LaEu9(Sn3H)2 were obtained from the Materials Project database (MP-ID: mp-3296521, 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_LaEu9(Sn3H)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.66803738
_cell_length_b   9.66803802
_cell_length_c   9.66803753
_cell_angle_alpha   128.17616529
_cell_angle_beta   128.17617354
_cell_angle_gamma   76.33980766
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaEu9(Sn3H)2
_chemical_formula_sum   'La1 Eu9 Sn6 H2'
_cell_volume   542.67347153
_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  0.50000000  0.50000000  0.00000000  1.0
  Eu  Eu1  1  0.00000000  0.00000000  0.00000000  1.0
  Eu  Eu2  1  0.51365346  0.01024341  0.82729991  1.0
  Eu  Eu3  1  0.18294250  0.68635354  0.17270009  1.0
  Eu  Eu4  1  0.01024341  0.18294250  0.49658995  1.0
  Eu  Eu5  1  0.68635354  0.51365346  0.50341005  1.0
  Eu  Eu6  1  0.48634654  0.98975659  0.17270009  1.0
  Eu  Eu7  1  0.81705750  0.31364646  0.82729991  1.0
  Eu  Eu8  1  0.98975659  0.81705750  0.50341005  1.0
  Eu  Eu9  1  0.31364646  0.48634654  0.49658995  1.0
  Sn  Sn10  1  0.25325558  0.25325558  0.00000000  1.0
  Sn  Sn11  1  0.74674442  0.74674442  0.00000000  1.0
  Sn  Sn12  1  0.87383243  0.37764830  0.25148073  1.0
  Sn  Sn13  1  0.12616757  0.62235170  0.74851927  1.0
  Sn  Sn14  1  0.37764830  0.12616757  0.50381588  1.0
  Sn  Sn15  1  0.62235170  0.87383243  0.49618412  1.0
  H  H16  1  0.25000000  0.75000000  0.50000000  1.0
  H  H17  1  0.75000000  0.25000000  0.50000000  1.0

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