YbNp(CoH4)2

High-Entropy Materials HEA

MP-ID: mp-3248917 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

YbNp(CoH4)2

MP-ID

mp-3248917

Elements

Sites

Density

8.8559

g/cm³

Volume

100.50

Å³

Cell a

6.0818

Cell b

6.0818

Cell c

4.8043

α Angle

90.00

β Angle

90.00

γ Angle

145.56

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
15.25	5.8092	5.1	(1,-1,0)
18.47	4.8043	2.5	(0,0,1)
24.04	3.7023	60.6	(1,-1,1)
25.90	3.4395	19.6	(1,0,0)
30.78	2.9046	50.7	(2,-2,0)
32.00	2.7967	100.0	(1,0,1)
34.00	2.6371	12.3	(2,-1,0)
34.00	2.6371	12.3	(1,-2,0)
36.14	2.4856	4.5	(2,-2,1)
37.44	2.4022	34.1	(0,0,2)
38.96	2.3117	33.6	(2,-1,1)
38.96	2.3117	33.6	(1,-2,1)
40.64	2.2199	1.0	(1,-1,2)
46.09	1.9694	10.0	(1,0,2)
46.51	1.9524	1.4	(3,-2,0)
46.51	1.9524	1.4	(2,-3,0)
49.22	1.8511	28.3	(2,-2,2)
50.45	1.8088	10.0	(3,-2,1)
50.45	1.8088	10.0	(2,-3,1)
50.70	1.8005	15.0	(1,1,0)
50.84	1.7960	12.7	(3,-3,1)
51.46	1.7759	8.1	(2,-1,2)
51.46	1.7759	8.1	(1,-2,2)
56.87	1.6191	6.5	(2,0,1)

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Energy Properties

Formation Energy/atom

-0.40661

eV/atom

Energy/atom

-14.87853

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-14.8785

eV/atom

Volume/atom

8.37

Å³

c/a Ratio

0.7900

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.1770

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.011710

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

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

91.001%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3612

smaller = more stable mixing

VEC

3.636

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7091

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcwcj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3248917

Reference Citation

The crystal structure and related material properties of YbNp(CoH4)2 were obtained from the Materials Project database (MP-ID: mp-3248917, 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_YbNp(CoH4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08177853
_cell_length_b   6.08177752
_cell_length_c   4.80433173
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.56017987
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbNp(CoH4)2
_chemical_formula_sum   'Yb1 Np1 Co2 H8'
_cell_volume   100.49806169
_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  0.86644823  0.13355177  0.75000000  1.0
  Np  Np1  1  0.12358311  0.87641689  0.25000000  1.0
  Co  Co2  1  0.59882032  0.40117968  0.75000000  1.0
  Co  Co3  1  0.40681494  0.59318506  0.25000000  1.0
  H  H4  1  0.08763910  0.91236090  0.75000000  1.0
  H  H5  1  0.91153528  0.08846472  0.25000000  1.0
  H  H6  1  0.69414181  0.30585819  0.49834903  1.0
  H  H7  1  0.31032052  0.68967948  0.47670813  1.0
  H  H8  1  0.69414181  0.30585819  0.00165097  1.0
  H  H9  1  0.31032052  0.68967948  0.02329187  1.0
  H  H10  1  0.49811769  0.50188231  0.00200890  1.0
  H  H11  1  0.49811769  0.50188231  0.49799110  1.0

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