Y11Ho9(Bi2Sb)4

High-Entropy Materials HEA

MP-ID: mp-3295159 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Y11Ho9(Bi2Sb)4

MP-ID

mp-3295159

Elements

Sites

Density

8.3349

g/cm³

Volume

920.67

Å³

Cell a

8.1664

Cell b

9.3747

Cell c

12.0260

α Angle

90.01

β Angle

90.02

γ Angle

90.02

Space Group

Point Group

Crystal System

Triclinic

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
7.35	12.0260	1.8	(0,0,1)
9.43	9.3747	1.1	(0,1,0)
13.10	6.7571	22.1	(1,0,-1)
13.11	6.7547	27.2	(1,0,1)
14.38	6.1587	3.5	(1,-1,0)
14.39	6.1567	2.6	(1,1,0)
14.73	6.0130	7.5	(0,0,2)
17.52	5.0616	1.5	(0,1,-2)
18.93	4.6874	13.0	(0,2,0)
20.33	4.3675	1.1	(0,2,-1)
20.64	4.3029	1.3	(1,-1,-2)
21.77	4.0832	21.3	(2,0,0)
23.00	3.8669	17.2	(2,0,-1)
23.01	3.8659	21.6	(2,0,1)
23.09	3.8518	1.7	(1,-2,-1)
23.09	3.8516	1.8	(1,-2,1)
23.10	3.8510	2.6	(1,2,-1)
23.10	3.8504	3.8	(1,2,1)
24.07	3.6970	14.1	(0,2,-2)
24.07	3.6966	16.9	(0,2,2)
24.74	3.5990	34.0	(1,0,-3)
24.75	3.5979	28.0	(1,0,3)
26.53	3.3599	1.1	(1,1,-3)
29.53	3.0245	6.7	(0,3,-1)

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Energy Properties

Formation Energy/atom

-0.91902

eV/atom

Energy/atom

-34.98856

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-34.9886

eV/atom

Volume/atom

28.77

Å³

c/a Ratio

1.4726

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.7045

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.004020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Y · 0.344

Element Family

4d-TM

Solute Fraction

0.656

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3303

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.0605

J/mol·K

Ω Parameter

0.9406

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.089%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3901

smaller = more stable mixing

VEC

6.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-15.936

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9596

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmmx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295159

Reference Citation

The crystal structure and related material properties of Y11Ho9(Bi2Sb)4 were obtained from the Materials Project database (MP-ID: mp-3295159, 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_Y11Ho9(Bi2Sb)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16635438
_cell_length_b   9.37470580
_cell_length_c   12.02597267
_cell_angle_alpha   90.00615512
_cell_angle_beta   90.02220655
_cell_angle_gamma   90.01902858
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y11Ho9(Bi2Sb)4
_chemical_formula_sum   'Y11 Ho9 Bi8 Sb4'
_cell_volume   920.67430601
_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
  Y  Y0  1  0.18000977  0.74954267  0.71705498  1.0
  Y  Y1  1  0.68015163  0.75008135  0.78345639  1.0
  Y  Y2  1  0.81974950  0.24978108  0.28289743  1.0
  Y  Y3  1  0.31974059  0.25025532  0.21685061  1.0
  Y  Y4  1  0.19077380  0.93983187  0.44087156  1.0
  Y  Y5  1  0.30981735  0.06028740  0.94134776  1.0
  Y  Y6  1  0.80926696  0.43995555  0.55903266  1.0
  Y  Y7  1  0.35358832  0.74937976  0.21189607  1.0
  Y  Y8  1  0.85275909  0.74947245  0.28741246  1.0
  Y  Y9  1  0.64659906  0.24969982  0.78807476  1.0
  Y  Y10  1  0.14682830  0.25012954  0.71225943  1.0
  Ho  Ho11  1  0.02683427  0.74963713  0.98917365  1.0
  Ho  Ho12  1  0.52748791  0.74981547  0.51092046  1.0
  Ho  Ho13  1  0.97260612  0.25016183  0.01085710  1.0
  Ho  Ho14  1  0.47255020  0.24991890  0.48903840  1.0
  Ho  Ho15  1  0.30978689  0.43745051  0.94159553  1.0
  Ho  Ho16  1  0.80938074  0.06266008  0.55874391  1.0
  Ho  Ho17  1  0.69045473  0.93736845  0.05847471  1.0
  Ho  Ho18  1  0.19055495  0.56255290  0.44136516  1.0
  Ho  Ho19  1  0.69058170  0.56181716  0.05856867  1.0
  Bi  Bi20  1  0.43468377  0.00326392  0.67277512  1.0
  Bi  Bi21  1  0.93449727  0.49641788  0.82753975  1.0
  Bi  Bi22  1  0.56545325  0.50328372  0.32703538  1.0
  Bi  Bi23  1  0.06525278  0.99636718  0.17258136  1.0
  Bi  Bi24  1  0.56612395  0.99642353  0.32704940  1.0
  Bi  Bi25  1  0.06561566  0.50325188  0.17273155  1.0
  Bi  Bi26  1  0.43393126  0.49646306  0.67293949  1.0
  Bi  Bi27  1  0.93400708  0.00342944  0.82719092  1.0
  Sb  Sb28  1  0.40920659  0.74838722  0.96065528  1.0
  Sb  Sb29  1  0.90925553  0.75156701  0.53919397  1.0
  Sb  Sb30  1  0.59175171  0.24984865  0.03978525  1.0
  Sb  Sb31  1  0.09070028  0.25149725  0.46063381  1.0

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