HoPa9(Sn3As)2

High-Entropy Materials HEA

MP-ID: mp-3292527 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

HoPa9(Sn3As)2

MP-ID

mp-3292527

Elements

Sites

Density

11.2509

g/cm³

Volume

458.47

Å³

Cell a

9.1954

Cell b

9.2626

Cell c

6.2308

α Angle

90.00

β Angle

90.00

γ Angle

120.24

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
11.06	8.0020	1.0	(1,-1,0)
11.14	7.9439	1.5	(1,0,0)
19.16	4.6313	2.1	(1,-2,0)
19.31	4.5975	2.3	(2,-1,0)
22.22	4.0010	5.9	(2,-2,0)
22.38	3.9720	4.2	(2,0,0)
23.94	3.7170	5.9	(1,-2,1)
24.06	3.6995	8.7	(2,-1,1)
28.65	3.1154	10.4	(0,0,2)
29.47	3.0308	9.6	(2,-3,0)
29.63	3.0150	6.5	(3,-2,0)
29.72	3.0056	10.2	(3,-1,0)
30.80	2.9032	10.7	(1,-1,2)
30.83	2.9004	4.5	(1,0,2)
32.86	2.7255	33.1	(2,-3,1)
33.00	2.7140	36.5	(3,-2,1)
33.09	2.7071	31.1	(3,-1,1)
33.60	2.6673	75.8	(3,-3,0)
33.85	2.6480	36.7	(3,0,0)
34.70	2.5850	46.7	(1,-2,2)
34.78	2.5791	100.0	(2,-1,2)
36.56	2.4581	1.6	(2,-2,2)
39.19	2.2988	2.1	(4,-2,0)
43.21	2.0938	4.6	(3,-4,1)

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Energy Properties

Formation Energy/atom

-0.55908

eV/atom

Energy/atom

-50.69673

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-50.6967

eV/atom

Volume/atom

25.47

Å³

c/a Ratio

0.6776

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.1834

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.013490

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pa · 0.500

Element Family

Actinide

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1175

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.2908

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.121%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2832

smaller = more stable mixing

VEC

4.556

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8061

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfipr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292527

Reference Citation

The crystal structure and related material properties of HoPa9(Sn3As)2 were obtained from the Materials Project database (MP-ID: mp-3292527, 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_HoPa9(Sn3As)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.19537407
_cell_length_b   9.26260603
_cell_length_c   6.23082189
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.24215914
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoPa9(Sn3As)2
_chemical_formula_sum   'Ho1 Pa9 Sn6 As2'
_cell_volume   458.47286403
_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
  Ho  Ho0  1  0.00000000  0.73806083  0.25000000  1.0
  Pa  Pa1  1  0.66297694  0.32778220  0.99882539  1.0
  Pa  Pa2  1  0.33702306  0.66480527  0.99882539  1.0
  Pa  Pa3  1  0.33702306  0.66480527  0.50117461  1.0
  Pa  Pa4  1  0.66297694  0.32778220  0.50117461  1.0
  Pa  Pa5  1  0.73626672  0.73713398  0.75000000  1.0
  Pa  Pa6  1  0.26373328  0.00086626  0.75000000  1.0
  Pa  Pa7  1  1.00000000  0.26732140  0.75000000  1.0
  Pa  Pa8  1  0.26868633  0.26774967  0.25000000  1.0
  Pa  Pa9  1  0.73131367  0.99906234  0.25000000  1.0
  Sn  Sn10  1  0.38606926  0.38461803  0.75000000  1.0
  Sn  Sn11  1  0.61393074  0.99854877  0.75000000  1.0
  Sn  Sn12  1  0.00000000  0.61616760  0.75000000  1.0
  Sn  Sn13  1  0.62004685  0.61584985  0.25000000  1.0
  Sn  Sn14  1  0.37995315  0.99580300  0.25000000  1.0
  Sn  Sn15  1  0.00000000  0.38829263  0.25000000  1.0
  As  As16  1  0.00000000  0.00267534  0.00131499  1.0
  As  As17  1  0.00000000  0.00267534  0.49868501  1.0

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