YbY(CoH4)2

High-Entropy Materials HEA

MP-ID: mp-3248550 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

YbY(CoH4)2

MP-ID

mp-3248550

Elements

Sites

Density

6.6375

g/cm³

Volume

97.04

Å³

Cell a

6.0328

Cell b

6.0328

Cell c

4.7503

α Angle

90.00

β Angle

90.00

γ Angle

145.86

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

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
15.36	5.7670	26.9	(1,-1,0)
18.68	4.7503	16.0	(0,0,1)
24.27	3.6666	57.3	(1,-1,1)
26.32	3.3861	9.6	(1,0,0)
26.32	3.3861	9.6	(0,1,0)
31.01	2.8835	94.6	(2,-2,0)
32.47	2.7573	100.0	(1,0,1)
32.47	2.7573	100.0	(0,1,1)
34.43	2.6051	20.6	(2,-1,0)
34.43	2.6051	20.6	(1,-2,0)
36.45	2.4649	25.2	(2,-2,1)
37.88	2.3751	66.4	(0,0,2)
39.45	2.2842	65.7	(2,-1,1)
39.45	2.2842	65.7	(1,-2,1)
41.10	2.1962	5.1	(1,-1,2)
46.71	1.9445	10.2	(1,0,2)
47.01	1.9330	1.4	(3,-2,0)
47.01	1.9330	1.4	(2,-3,0)
47.29	1.9223	1.8	(3,-3,0)
49.73	1.8333	51.1	(2,-2,2)
51.01	1.7905	16.9	(3,-2,1)
51.01	1.7905	16.9	(2,-3,1)
51.27	1.7819	15.6	(3,-3,1)
51.61	1.7711	28.6	(1,1,0)

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Energy Properties

Formation Energy/atom

-0.49502

eV/atom

Energy/atom

-9.74105

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-9.7411

eV/atom

Volume/atom

8.09

Å³

c/a Ratio

0.7874

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.6506

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.027320

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

H · 0.667

Element Family

Alkali-AlkEarth

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9831

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.1734

J/mol·K

Ω Parameter

2.1817

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

91.562%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3828

smaller = more stable mixing

VEC

3.583

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.043

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7091

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcvog

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3248550

Reference Citation

The crystal structure and related material properties of YbY(CoH4)2 were obtained from the Materials Project database (MP-ID: mp-3248550, 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_YbY(CoH4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03279182
_cell_length_b   6.03279033
_cell_length_c   4.75028032
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.85537663
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbY(CoH4)2
_chemical_formula_sum   'Yb1 Y1 Co2 H8'
_cell_volume   97.03720290
_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
  Yb  Yb0  1  0.86857626  0.13142374  0.75000000  1.0
  Y  Y1  1  0.13340248  0.86659752  0.25000000  1.0
  Co  Co2  1  0.59585576  0.40414424  0.75000000  1.0
  Co  Co3  1  0.40619777  0.59380223  0.25000000  1.0
  H  H4  1  0.08869438  0.91130562  0.75000000  1.0
  H  H5  1  0.91311220  0.08688780  0.25000000  1.0
  H  H6  1  0.69131160  0.30868840  0.50023110  1.0
  H  H7  1  0.30958942  0.69041058  0.48161381  1.0
  H  H8  1  0.69131160  0.30868840  0.99976890  1.0
  H  H9  1  0.30958942  0.69041058  0.01838619  1.0
  H  H10  1  0.49617956  0.50382044  0.99731121  1.0
  H  H11  1  0.49617956  0.50382044  0.50268879  1.0

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