La7(YbRh3)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292967 · Space group: R3 (#146)

Materials Project API

Basic Information

Formula

La7(YbRh3)2

MP-ID

mp-3292967

Elements

Sites

Density

8.3738

g/cm³

Volume

383.88

Å³

Cell a

7.6332

Cell b

7.6332

Cell c

7.6332

α Angle

70.72

β Angle

70.72

γ Angle

70.72

Space Group

Point Group

Crystal System

Trigonal

Bravais Lattice

Stability

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
12.68	6.9798	38.4	(1,0,0)
15.61	5.6784	1.2	(1,1,1)
20.10	4.4176	4.2	(1,0,-1)
23.84	3.7328	1.5	(1,1,-1)
23.84	3.7328	2.9	(1,-1,1)
25.52	3.4899	2.5	(2,0,0)
25.55	3.4868	3.7	(2,1,0)
25.55	3.4868	1.8	(0,2,1)
28.68	3.1125	41.1	(2,2,1)
31.37	2.8512	66.4	(2,0,-1)
31.43	2.8461	21.4	(2,2,0)
31.51	2.8392	32.7	(2,2,2)
32.70	2.7385	7.3	(2,1,-1)
32.70	2.7385	73.6	(2,-1,1)
35.19	2.5505	71.4	(2,-1,-1)
35.19	2.5505	35.7	(1,-2,1)
35.27	2.5444	13.0	(3,1,1)
37.59	2.3925	57.1	(3,1,0)
37.66	2.3885	100.0	(3,2,1)
38.70	2.3266	1.5	(3,0,0)
40.93	2.2048	16.1	(3,0,2)
42.95	2.1059	6.0	(2,1,-2)
42.95	2.1059	11.9	(2,-2,1)
43.97	2.0592	3.6	(3,0,-1)

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Energy Properties

Formation Energy/atom

-0.73976

eV/atom

Energy/atom

-29.14573

eV/atom

Energy above Hull

0.0189

eV/atom

Uncorrected Energy

-29.1457

eV/atom

Volume/atom

25.59

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.8698

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.002270

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

La · 0.467

Element Family

Lanthanide

Solute Fraction

0.533

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9908

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.2378

J/mol·K

Ω Parameter

0.5193

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.938%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5781

smaller = more stable mixing

VEC

6.867

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-25.345

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9019

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.480

Family

La-rich Multi-Component

Matrix Element

La · 0.467

Related Tasks

Related computation task IDs (1)

aaahfjgp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292967

Reference Citation

The crystal structure and related material properties of La7(YbRh3)2 were obtained from the Materials Project database (MP-ID: mp-3292967, 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_La7(YbRh3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63317122
_cell_length_b   7.63317038
_cell_length_c   7.63317121
_cell_angle_alpha   70.72427224
_cell_angle_beta   70.72427695
_cell_angle_gamma   70.72426775
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La7(YbRh3)2
_chemical_formula_sum   'La7 Yb2 Rh6'
_cell_volume   383.88356925
_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  0.19642744  0.19642744  0.19642744  1.0
  La  La1  1  0.15042970  0.39397718  0.67715913  1.0
  La  La2  1  0.67715913  0.15042970  0.39397718  1.0
  La  La3  1  0.39397718  0.67715913  0.15042970  1.0
  La  La4  1  0.84392656  0.61434906  0.32304061  1.0
  La  La5  1  0.32304061  0.84392656  0.61434906  1.0
  La  La6  1  0.61434906  0.32304061  0.84392656  1.0
  Yb  Yb7  1  0.99686425  0.99686425  0.99686425  1.0
  Yb  Yb8  1  0.80293110  0.80293110  0.80293110  1.0
  Rh  Rh9  1  0.95313535  0.17328199  0.58706812  1.0
  Rh  Rh10  1  0.58706812  0.95313535  0.17328199  1.0
  Rh  Rh11  1  0.17328199  0.58706812  0.95313535  1.0
  Rh  Rh12  1  0.04517972  0.82813562  0.41409617  1.0
  Rh  Rh13  1  0.41409617  0.04517972  0.82813562  1.0
  Rh  Rh14  1  0.82813562  0.41409617  0.04517972  1.0

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