Er10OsRh3

高熵材料 HEA 传统材料 TRA

MP-ID: mp-3295792 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Er10OsRh3

MP-ID

mp-3295792

Elements

Sites

Density

10.3014

g/cm³

Volume

350.04

Å³

Cell a

6.3917

Cell b

7.1016

Cell c

8.4289

α Angle

96.44

β Angle

112.81

γ Angle

90.08

Space Group

Point Group

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
11.47	7.7116	10.9	(0,0,1)
12.56	7.0484	4.3	(0,1,0)
14.95	5.9243	2.9	(1,0,-1)
15.05	5.8848	10.0	(1,0,0)
15.96	5.5515	3.4	(0,1,-1)
18.06	4.9123	2.0	(0,1,1)
19.14	4.6380	1.9	(1,1,-1)
19.17	4.6304	1.9	(1,-1,0)
20.00	4.4388	26.7	(1,-1,-1)
20.13	4.4121	26.5	(1,1,0)
22.29	3.9876	1.2	(1,0,1)
23.07	3.8558	2.6	(0,0,2)
24.42	3.6457	1.1	(1,1,-2)
25.27	3.5242	3.1	(0,2,0)
26.52	3.3615	4.9	(1,-1,-2)
26.73	3.3356	7.2	(1,1,1)
27.92	3.1957	5.9	(2,0,-1)
28.88	3.0910	47.3	(1,-2,0)
28.90	3.0898	39.8	(1,2,-1)
29.12	3.0668	33.9	(0,2,1)
30.08	2.9713	18.3	(1,-2,-1)
30.17	2.9622	7.5	(2,0,-2)
30.19	2.9602	7.2	(1,2,0)
30.38	2.9424	5.8	(2,0,0)

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Energy Properties

Formation Energy/atom

-0.59545

eV/atom

Energy/atom

-33.78461

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-33.7846

eV/atom

Volume/atom

25.00

Å³

c/a Ratio

1.3187

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0402

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000110

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 0.714

Element Family

Lanthanide

Solute Fraction

0.286

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7589

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.3098

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.270%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4612

smaller = more stable mixing

VEC

11.071

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6908

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnlg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295792

Reference Citation

The crystal structure and related material properties of Er10OsRh3 were obtained from the Materials Project database (MP-ID: mp-3295792, 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_Er10OsRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39168421
_cell_length_b   7.10162458
_cell_length_c   8.42889546
_cell_angle_alpha   96.43510179
_cell_angle_beta   112.80752250
_cell_angle_gamma   90.08446445
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er10OsRh3
_chemical_formula_sum   'Er10 Os1 Rh3'
_cell_volume   350.04057915
_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
  Er  Er0  1  0.78692103  0.58235300  0.81016708  1.0
  Er  Er1  1  0.97037160  0.91534060  0.17770305  1.0
  Er  Er2  1  0.20964346  0.41552826  0.18868801  1.0
  Er  Er3  1  0.02402643  0.08481020  0.81261104  1.0
  Er  Er4  1  0.21893578  0.68763992  0.56370433  1.0
  Er  Er5  1  0.65051603  0.81656738  0.44186245  1.0
  Er  Er6  1  0.78655071  0.31543841  0.43706855  1.0
  Er  Er7  1  0.34998345  0.18185592  0.56349334  1.0
  Er  Er8  1  0.42632001  0.75016559  0.99915911  1.0
  Er  Er9  1  0.57359983  0.25012525  0.99970205  1.0
  Os  Os10  1  0.61274585  0.92799450  0.78737339  1.0
  Rh  Rh11  1  0.82621118  0.57082371  0.22360639  1.0
  Rh  Rh12  1  0.39143191  0.07190349  0.21751244  1.0
  Rh  Rh13  1  0.17274177  0.42945177  0.77734979  1.0

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