Ho8Tc(B8Os)3

高熵材料 HEA

MP-ID: mp-3293236 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Ho8Tc(B8Os)3

MP-ID

mp-3293236

Elements

Sites

Density

9.7709

g/cm³

Volume

381.97

Å³

Cell a

3.6473

Cell b

9.1131

Cell c

11.4919

α Angle

89.94

β Angle

90.00

γ Angle

90.00

Space Group

Point Group

Crystal System

Monoclinic

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
7.69	11.4919	2.4	(0,0,1)
9.71	9.1131	1.5	(0,1,0)
12.40	7.1369	1.2	(0,1,-1)
15.42	5.7460	2.5	(0,0,2)
18.24	4.8627	2.0	(0,1,2)
24.40	3.6473	100.0	(1,0,0)
24.93	3.5720	1.5	(0,2,2)
30.43	2.9376	19.4	(0,3,1)
30.44	2.9361	15.8	(0,3,-1)
30.47	2.9336	15.8	(0,2,3)
30.50	2.9307	14.9	(0,2,-3)
31.13	2.8730	21.7	(0,0,4)
32.67	2.7408	13.8	(0,1,4)
32.69	2.7393	14.9	(0,1,-4)
33.35	2.6866	11.2	(0,3,2)
33.38	2.6844	14.0	(0,3,-2)
35.17	2.5520	1.4	(1,2,2)
37.01	2.4291	1.1	(0,2,-4)
37.78	2.3813	6.5	(0,3,3)
37.82	2.3790	6.5	(0,3,-3)
39.38	2.2878	23.4	(1,3,1)
39.40	2.2871	19.3	(1,3,-1)
39.42	2.2859	19.2	(1,2,3)
39.44	2.2846	18.2	(1,2,-3)

Get direct link

Energy Properties

Formation Energy/atom

-0.74974

eV/atom

Energy/atom

-18.09095

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.0910

eV/atom

Volume/atom

10.61

Å³

c/a Ratio

3.1508

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0017

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

B · 0.667

Element Family

Metalloid-Nonmetal

Solute Fraction

0.333

Interstitial Fraction

0.667

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9112

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.5754

J/mol·K

Ω Parameter

7.3180

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

31.166%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3455

smaller = more stable mixing

VEC

5.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.375

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6573

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjqy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293236

Reference Citation

The crystal structure and related material properties of Ho8Tc(B8Os)3 were obtained from the Materials Project database (MP-ID: mp-3293236, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Ho8Tc(B8Os)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64732008
_cell_length_b   9.11309957
_cell_length_c   11.49193430
_cell_angle_alpha   89.94211331
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho8Tc(B8Os)3
_chemical_formula_sum   'Ho8 Tc1 B24 Os3'
_cell_volume   381.97321093
_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  0.32430646  0.41311901  1.0
  Ho  Ho1  1  0.00000000  0.67715311  0.58295729  1.0
  Ho  Ho2  1  0.00000000  0.82006488  0.08835629  1.0
  Ho  Ho3  1  0.00000000  0.17770358  0.91515706  1.0
  Ho  Ho4  1  0.00000000  0.94239937  0.37240466  1.0
  Ho  Ho5  1  0.00000000  0.05689048  0.62765951  1.0
  Ho  Ho6  1  0.00000000  0.44471341  0.12845801  1.0
  Ho  Ho7  1  0.00000000  0.55664381  0.87200138  1.0
  Tc  Tc8  1  0.00000000  0.63745770  0.32106895  1.0
  B  B9  1  0.50000000  0.55305566  0.43307685  1.0
  B  B10  1  0.50000000  0.44648554  0.56717043  1.0
  B  B11  1  0.50000000  0.05364353  0.06707457  1.0
  B  B12  1  0.50000000  0.94626868  0.93323073  1.0
  B  B13  1  0.50000000  0.74758668  0.41941157  1.0
  B  B14  1  0.50000000  0.25255451  0.58041980  1.0
  B  B15  1  0.50000000  0.24798375  0.08027463  1.0
  B  B16  1  0.50000000  0.75210220  0.91967403  1.0
  B  B17  1  0.50000000  0.79110324  0.26626495  1.0
  B  B18  1  0.50000000  0.20928730  0.73376302  1.0
  B  B19  1  0.50000000  0.29069442  0.23326156  1.0
  B  B20  1  0.50000000  0.70972702  0.76618016  1.0
  B  B21  1  0.50000000  0.63138481  0.18584815  1.0
  B  B22  1  0.50000000  0.36849855  0.81462045  1.0
  B  B23  1  0.50000000  0.13136578  0.31398965  1.0
  B  B24  1  0.50000000  0.86887704  0.68546991  1.0
  B  B25  1  0.50000000  0.98272552  0.21267921  1.0
  B  B26  1  0.50000000  0.01707717  0.78760073  1.0
  B  B27  1  0.50000000  0.48237934  0.28736444  1.0
  B  B28  1  0.50000000  0.51687928  0.71267392  1.0
  B  B29  1  0.50000000  0.60727948  0.02938423  1.0
  B  B30  1  0.50000000  0.39255568  0.96999208  1.0
  B  B31  1  0.50000000  0.10767472  0.47016652  1.0
  B  B32  1  0.50000000  0.89318568  0.53021953  1.0
  Os  Os33  1  0.00000000  0.36210169  0.67949894  1.0
  Os  Os34  1  0.00000000  0.13724182  0.17816142  1.0
  Os  Os35  1  0.00000000  0.86294811  0.82134637  1.0

Get direct link