LaEr9(Si3Pt)2

High-Entropy Materials HEA

MP-ID: mp-3292106 · Space group: P2_1 (#4)

Materials Project API

Basic Information

Formula

LaEr9(Si3Pt)2

MP-ID

mp-3292106

Elements

Sites

Density

8.8674

g/cm³

Volume

825.05

Å³

Cell a

7.2226

Cell b

7.8845

Cell c

14.4882

α Angle

89.91

β Angle

90.00

γ Angle

90.00

Space Group

P2_1

Point Group

Crystal System

Monoclinic

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
6.10	14.4882	1.6	(0,0,1)
12.22	7.2441	75.0	(0,0,2)
12.77	6.9298	26.6	(0,1,1)
12.79	6.9210	22.0	(0,1,-1)
16.65	5.3258	16.3	(1,1,0)
20.69	4.2930	3.3	(1,1,2)
20.71	4.2889	1.4	(1,1,-2)
21.56	4.1210	11.5	(0,1,3)
21.59	4.1155	9.9	(0,1,-3)
22.55	3.9422	7.0	(0,2,0)
24.58	3.6220	5.7	(0,0,4)
24.65	3.6113	6.2	(2,0,0)
24.88	3.5794	15.7	(1,1,3)
24.90	3.5757	16.1	(1,1,-3)
25.71	3.4649	19.9	(0,2,2)
25.74	3.4605	17.4	(0,2,-2)
25.75	3.4603	43.9	(1,2,0)
27.16	3.2833	9.4	(2,1,0)
27.86	3.2025	13.7	(2,1,1)
27.87	3.2017	13.1	(2,1,-1)
30.92	2.8921	50.9	(2,0,3)
31.79	2.8146	87.6	(1,2,3)
31.83	2.8111	93.4	(1,2,-3)
32.92	2.7211	6.3	(0,1,5)

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Energy Properties

Formation Energy/atom

-0.95935

eV/atom

Energy/atom

-28.22000

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.2200

eV/atom

Volume/atom

22.92

Å³

c/a Ratio

2.0060

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0171

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 0.500

Element Family

Lanthanide

Solute Fraction

0.500

Interstitial Fraction

0.333

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

2.5003

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.441%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3988

smaller = more stable mixing

VEC

8.611

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.527

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8061

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfhzm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292106

Reference Citation

The crystal structure and related material properties of LaEr9(Si3Pt)2 were obtained from the Materials Project database (MP-ID: mp-3292106, 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_LaEr9(Si3Pt)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22257384
_cell_length_b   7.88449394
_cell_length_c   14.48818563
_cell_angle_alpha   89.91328739
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaEr9(Si3Pt)2
_chemical_formula_sum   'La2 Er18 Si12 Pt4'
_cell_volume   825.04819548
_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  0.51020622  0.57087864  0.33662103  1.0
  La  La1  1  0.01020622  0.42912136  0.66337897  1.0
  Er  Er2  1  0.81126933  0.57994394  0.87763813  1.0
  Er  Er3  1  0.31126933  0.42005606  0.12236187  1.0
  Er  Er4  1  0.18422872  0.92472713  0.37625816  1.0
  Er  Er5  1  0.68422872  0.07527287  0.62374184  1.0
  Er  Er6  1  0.18469352  0.92469769  0.62546182  1.0
  Er  Er7  1  0.68469352  0.07530231  0.37453818  1.0
  Er  Er8  1  0.81741986  0.57543399  0.12289134  1.0
  Er  Er9  1  0.31741986  0.42456601  0.87710866  1.0
  Er  Er10  1  0.66802454  0.23658597  0.99973551  1.0
  Er  Er11  1  0.16802454  0.76341403  0.00026449  1.0
  Er  Er12  1  0.33331850  0.26351106  0.49904611  1.0
  Er  Er13  1  0.83331850  0.73648894  0.50095389  1.0
  Er  Er14  1  0.48742116  0.93496394  0.84468559  1.0
  Er  Er15  1  0.98742116  0.06503606  0.15531441  1.0
  Er  Er16  1  0.48415609  0.93788323  0.15309072  1.0
  Er  Er17  1  0.98415609  0.06211677  0.84690928  1.0
  Er  Er18  1  0.51284009  0.56597333  0.65733348  1.0
  Er  Er19  1  0.01284009  0.43402667  0.34266652  1.0
  Si  Si20  1  0.65387831  0.27637643  0.79132374  1.0
  Si  Si21  1  0.15387831  0.72362357  0.20867626  1.0
  Si  Si22  1  0.34127728  0.21564654  0.28601434  1.0
  Si  Si23  1  0.84127728  0.78435346  0.71398566  1.0
  Si  Si24  1  0.35405892  0.21846550  0.71298127  1.0
  Si  Si25  1  0.85405892  0.78153450  0.28701873  1.0
  Si  Si26  1  0.65666168  0.27263863  0.20763416  1.0
  Si  Si27  1  0.15666168  0.72736137  0.79236584  1.0
  Si  Si28  1  0.76985760  0.88224859  0.00035182  1.0
  Si  Si29  1  0.26985760  0.11775141  0.99964818  1.0
  Si  Si30  1  0.23033249  0.62125455  0.50256831  1.0
  Si  Si31  1  0.73033249  0.37874545  0.49743169  1.0
  Pt  Pt32  1  0.52197992  0.65092697  0.00263669  1.0
  Pt  Pt33  1  0.02197992  0.34907303  0.99736331  1.0
  Pt  Pt34  1  0.47837678  0.85288181  0.50261261  1.0
  Pt  Pt35  1  0.97837678  0.14711819  0.49738739  1.0

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