HoClO2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1025493 · Space group: P2_1/m (#11)

Materials Project API

Basic Information

Formula

HoClO2

MP-ID

mp-1025493

Elements

Sites

Density

5.8098

g/cm³

Volume

132.84

Å³

Cell a

3.5656

Cell b

6.2394

Cell c

6.3635

α Angle

69.77

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/m

Point Group

2/m

Crystal System

Monoclinic

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
14.84	5.9710	81.1	(0,0,1)
15.13	5.8546	49.9	(0,1,0)
17.16	5.1680	91.5	(0,1,1)
24.71	3.6037	93.4	(0,1,-1)
28.48	3.1341	61.0	(0,1,2)
28.96	3.0834	27.2	(0,2,1)
29.17	3.0613	80.5	(1,0,1)
29.33	3.0453	63.8	(1,1,0)
29.93	2.9855	1.1	(0,0,2)
30.46	2.9349	100.0	(1,1,1)
30.54	2.9273	39.9	(0,2,0)
34.72	2.5840	9.8	(0,2,2)
35.42	2.5346	19.7	(1,1,-1)
38.23	2.3540	13.0	(1,1,2)
38.28	2.3510	8.3	(0,1,-2)
38.65	2.3293	7.9	(0,2,-1)
39.36	2.2890	55.7	(1,0,2)
39.84	2.2625	38.8	(1,2,0)
42.62	2.1211	10.4	(0,1,3)
43.24	2.0923	49.6	(1,2,2)
45.39	1.9982	10.9	(0,2,3)
45.58	1.9903	29.4	(0,0,3)
45.92	1.9761	12.6	(0,3,2)
46.26	1.9627	25.7	(1,1,-2)

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Energy Properties

Formation Energy/atom

-2.08549

eV/atom

Energy/atom

-6.17102

eV/atom

Energy above Hull

0.5877

eV/atom

Uncorrected Energy

-5.8275

eV/atom

Volume/atom

16.60

Å³

c/a Ratio

1.7847

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.0675

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.015560

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

47.548%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9236

smaller = more stable mixing

VEC

6.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.229

Family

O-rich Multi-Component

Matrix Element

O · 0.500

Related Tasks

Related computation task IDs (5)

aaadodmz aaadvsje aaadxgrb aaaepuwp aaafbeav

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025493

Reference Citation

The crystal structure and related material properties of HoClO2 were obtained from the Materials Project database (MP-ID: mp-1025493, 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_HoClO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56557600
_cell_length_b   6.23939500
_cell_length_c   6.36348858
_cell_angle_alpha   69.77220532
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoClO2
_chemical_formula_sum   'Ho2 Cl2 O4'
_cell_volume   132.83757001
_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
  Ho  Ho0  1  0.25000000  0.18979800  0.65923900  1.0
  Ho  Ho1  1  0.75000000  0.81020200  0.34076100  1.0
  Cl  Cl2  1  0.25000000  0.75879300  0.02714400  1.0
  Cl  Cl3  1  0.75000000  0.24120700  0.97285600  1.0
  O  O4  1  0.25000000  0.57886600  0.55984000  1.0
  O  O5  1  0.75000000  0.42113400  0.44016000  1.0
  O  O6  1  0.25000000  0.05207500  0.37232000  1.0
  O  O7  1  0.75000000  0.94792500  0.62768000  1.0

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