Ho13Er7(Bi2Os)4
High-Entropy Materials HEAMP-ID: mp-3292650 · Space group: P1 (#1)
Basic Information
Formula
Ho13Er7(Bi2Os)4
MP-ID
mp-3292650
Elements
4
Sites
32
Density
10.8141
g/cm³
Volume
882.57
ų
Cell a
7.9111
Å
Cell b
8.9353
Å
Cell c
12.4855
Å
α Angle
89.99
°
β Angle
90.01
°
γ Angle
90.02
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 13.25 | 6.6832 | 2.5 | (1,0,-1) |
| 13.25 | 6.6819 | 2.4 | (1,0,1) |
| 14.19 | 6.2428 | 6.3 | (0,0,2) |
| 14.96 | 5.9239 | 5.1 | (1,-1,0) |
| 14.96 | 5.9223 | 5.0 | (1,1,0) |
| 18.10 | 4.9012 | 1.5 | (1,0,-2) |
| 18.10 | 4.9002 | 1.6 | (1,0,2) |
| 20.67 | 4.2979 | 1.2 | (1,-1,-2) |
| 20.67 | 4.2965 | 1.2 | (1,1,-2) |
| 20.67 | 4.2965 | 1.1 | (1,1,2) |
| 20.67 | 4.2964 | 1.2 | (1,-1,2) |
| 22.48 | 3.9555 | 21.3 | (2,0,0) |
| 23.59 | 3.7711 | 1.5 | (2,0,-1) |
| 23.60 | 3.7706 | 1.5 | (2,0,1) |
| 23.95 | 3.7148 | 4.3 | (1,-2,-1) |
| 23.96 | 3.7141 | 4.4 | (1,-2,1) |
| 23.96 | 3.7138 | 4.4 | (1,2,1) |
| 23.96 | 3.7136 | 4.3 | (1,2,-1) |
| 24.16 | 3.6836 | 17.1 | (1,0,-3) |
| 24.17 | 3.6829 | 17.1 | (1,0,3) |
| 24.50 | 3.6336 | 3.6 | (0,2,2) |
| 24.50 | 3.6327 | 3.6 | (0,2,-2) |
| 27.00 | 3.3024 | 7.5 | (1,-2,-2) |
| 27.01 | 3.3015 | 7.6 | (1,2,2) |
Energy Properties
Formation Energy/atom
-0.72736
eV/atom
Energy/atom
-42.75531
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-42.7553
eV/atom
Volume/atom
27.58
ų
c/a Ratio
1.5782
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0544
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000060
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.406
Element Family
Lanthanide
Solute Fraction
0.594
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3049
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.8490
J/mol·K
Ω Parameter
4.6885
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.063%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4131
smaller = more stable mixing
VEC
9.344
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
3.814
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9413
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292650
Reference Citation
The crystal structure and related material properties of Ho13Er7(Bi2Os)4 were obtained from the Materials Project database (MP-ID: mp-3292650, 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_Ho13Er7(Bi2Os)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.91107921
_cell_length_b 8.93526936
_cell_length_c 12.48549461
_cell_angle_alpha 89.98564393
_cell_angle_beta 90.01283807
_cell_angle_gamma 90.01559689
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho13Er7(Bi2Os)4
_chemical_formula_sum 'Ho13 Er7 Bi8 Os4'
_cell_volume 882.56986242
_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 0.34050103 0.75004058 0.70547855 1.0
Ho Ho1 1 0.65962621 0.24996020 0.29435291 1.0
Ho Ho2 1 0.84034428 0.25021933 0.79441363 1.0
Ho Ho3 1 0.15968227 0.74993787 0.20568824 1.0
Ho Ho4 1 0.87398403 0.74960581 0.81252534 1.0
Ho Ho5 1 0.12549822 0.25042300 0.18754859 1.0
Ho Ho6 1 0.37421601 0.24980612 0.68722759 1.0
Ho Ho7 1 0.62571015 0.75007386 0.31264061 1.0
Ho Ho8 1 0.17274399 0.03757484 0.93381751 1.0
Ho Ho9 1 0.05919632 0.74999398 0.49573360 1.0
Ho Ho10 1 0.94073862 0.25003926 0.50426093 1.0
Ho Ho11 1 0.55942692 0.25027537 0.00426452 1.0
Ho Ho12 1 0.44124546 0.74956603 0.99579952 1.0
Er Er13 1 0.67159601 0.53763563 0.56628714 1.0
Er Er14 1 0.32836254 0.46235293 0.43365749 1.0
Er Er15 1 0.17138657 0.46243331 0.93373282 1.0
Er Er16 1 0.32829806 0.03761154 0.43367834 1.0
Er Er17 1 0.82838618 0.53784620 0.06645800 1.0
Er Er18 1 0.67170222 0.96236332 0.56623411 1.0
Er Er19 1 0.82821763 0.96235427 0.06633841 1.0
Bi Bi20 1 0.56196618 0.50579301 0.82747056 1.0
Bi Bi21 1 0.43771263 0.49409418 0.17242306 1.0
Bi Bi22 1 0.06239938 0.49408402 0.67227427 1.0
Bi Bi23 1 0.43745799 0.00594191 0.17216562 1.0
Bi Bi24 1 0.93751526 0.50600982 0.32781891 1.0
Bi Bi25 1 0.56301425 0.99388781 0.82754302 1.0
Bi Bi26 1 0.93768615 0.99409838 0.32767966 1.0
Bi Bi27 1 0.06211535 0.00582387 0.67226746 1.0
Os Os28 1 0.06852485 0.74984500 0.99302225 1.0
Os Os29 1 0.93073725 0.25034135 0.00730173 1.0
Os Os30 1 0.56876160 0.24996904 0.50699101 1.0
Os Os31 1 0.43124740 0.74999714 0.49290260 1.0
