Al(HO)3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-673570 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Al(HO)3

MP-ID

mp-673570

Elements

Sites

Density

2.3794

g/cm³

Volume

435.50

Å³

Cell a

8.8659

Cell b

5.0420

Cell c

9.7434

α Angle

90.04

β Angle

90.84

γ Angle

90.12

Space Group

Point Group

Crystal System

Triclinic

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
18.21	4.8712	100.0	(0,0,2)
20.24	4.3868	18.1	(1,-1,0)
20.28	4.3787	17.9	(1,1,0)
21.91	4.0571	35.7	(2,0,-1)
22.16	4.0123	35.6	(2,0,1)
27.00	3.3026	12.0	(2,0,-2)
27.27	3.2707	5.2	(1,-1,-2)
27.28	3.2692	5.2	(1,1,-2)
27.40	3.2546	11.6	(2,0,2)
27.45	3.2490	5.1	(1,-1,2)
27.50	3.2438	5.0	(1,1,2)
28.21	3.1635	1.0	(2,-1,-1)
28.46	3.1362	1.1	(2,1,1)
33.98	2.6382	17.7	(2,0,-3)
34.48	2.6014	16.3	(2,0,3)
35.17	2.5518	1.1	(3,-1,0)
35.24	2.5470	1.2	(3,1,0)
35.61	2.5210	4.0	(0,2,0)
36.91	2.4356	3.6	(0,0,4)
39.67	2.2720	1.2	(3,-1,-2)
39.72	2.2693	1.2	(3,1,-2)
40.09	2.2490	1.1	(3,-1,2)
40.17	2.2451	1.2	(3,1,2)
40.27	2.2396	1.6	(0,2,-2)

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Energy Properties

Formation Energy/atom

0.51038

eV/atom

Energy/atom

-3.60033

eV/atom

Energy above Hull

2.5749

eV/atom

Uncorrected Energy

-3.3059

eV/atom

Volume/atom

7.78

Å³

c/a Ratio

1.0990

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0326

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000070

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

H · 0.429

Element Family

Alkali-AlkEarth

Solute Fraction

0.571

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0042

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.3493

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

68.101%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7133

smaller = more stable mixing

VEC

2.571

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9141

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.235

Family

H-rich Multi-Component

Matrix Element

H · 0.429

Related Tasks

Related computation task IDs (2)

aaabmiko aaabmkjy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-673570

Reference Citation

The crystal structure and related material properties of Al(HO)3 were obtained from the Materials Project database (MP-ID: mp-673570, 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_Al(HO)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.86588500
_cell_length_b   5.04203056
_cell_length_c   9.74343682
_cell_angle_alpha   90.03700105
_cell_angle_beta   90.84259869
_cell_angle_gamma   90.12267050
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al(HO)3
_chemical_formula_sum   'Al8 H24 O24'
_cell_volume   435.50353182
_cell_formula_units_Z   8
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
  Al  Al0  1  0.01913100  0.32856000  0.50293900  1.0
  Al  Al1  1  0.46785900  0.83837500  0.00045400  1.0
  Al  Al2  1  0.96016000  0.66069900  0.49891900  1.0
  Al  Al3  1  0.52504900  0.17166900  0.99981700  1.0
  Al  Al4  1  0.51193300  0.15737600  0.50327000  1.0
  Al  Al5  1  0.97418500  0.66660300  0.00277900  1.0
  Al  Al6  1  0.46483100  0.83025900  0.49887600  1.0
  Al  Al7  1  0.02127100  0.34111000  0.00052800  1.0
  H  H8  1  0.62754300  0.40667700  0.62603900  1.0
  H  H9  1  0.86436500  0.91627900  0.12202600  1.0
  H  H10  1  0.38476500  0.59767200  0.36972000  1.0
  H  H11  1  0.10131300  0.10860900  0.86866800  1.0
  H  H12  1  0.15928600  0.80886700  0.70148700  1.0
  H  H13  1  0.32948100  0.32067400  0.20311000  1.0
  H  H14  1  0.94269300  0.07905500  0.39513400  1.0
  H  H15  1  0.54111500  0.58830100  0.89711100  1.0
  H  H16  1  0.82054100  0.97313800  0.60626400  1.0
  H  H17  1  0.66281900  0.48399500  0.10771800  1.0
  H  H18  1  0.38948100  0.00036100  0.29794000  1.0
  H  H19  1  0.09105000  0.50545800  0.79798700  1.0
  H  H20  1  0.30523900  0.53665000  0.61865900  1.0
  H  H21  1  0.18523500  0.04872000  0.11890300  1.0
  H  H22  1  0.87066500  0.48290500  0.29921700  1.0
  H  H23  1  0.60919200  0.99245600  0.79614700  1.0
  H  H24  1  0.21729000  0.20518800  0.70435000  1.0
  H  H25  1  0.27494800  0.70352200  0.20472500  1.0
  H  H26  1  0.77281800  0.79456900  0.29280300  1.0
  H  H27  1  0.71451200  0.29460000  0.79605200  1.0
  H  H28  1  0.65942000  0.68534700  0.70647100  1.0
  H  H29  1  0.83074400  0.19141100  0.20733300  1.0
  H  H30  1  0.48210700  0.39554000  0.39319400  1.0
  H  H31  1  0.00033500  0.89938800  0.88717800  1.0
  O  O32  1  0.70605300  0.30703200  0.61556000  1.0
  O  O33  1  0.78035800  0.81810900  0.11192600  1.0
  O  O34  1  0.27282200  0.68551000  0.38443400  1.0
  O  O35  1  0.21160400  0.19641700  0.88620200  1.0
  O  O36  1  0.14676400  0.81475500  0.60069200  1.0
  O  O37  1  0.34034700  0.32824800  0.10255900  1.0
  O  O38  1  0.83772700  0.17222000  0.39877500  1.0
  O  O39  1  0.64903000  0.68068500  0.89612900  1.0
  O  O40  1  0.62815200  0.98921200  0.61154000  1.0
  O  O41  1  0.85559300  0.49963200  0.11227200  1.0
  O  O42  1  0.35629100  0.00034000  0.39785600  1.0
  O  O43  1  0.12712600  0.50993100  0.89755400  1.0
  O  O44  1  0.11989700  0.50471900  0.61017600  1.0
  O  O45  1  0.36909200  0.01564800  0.10913700  1.0
  O  O46  1  0.84235200  0.48080600  0.39980200  1.0
  O  O47  1  0.64125500  0.99226200  0.89676200  1.0
  O  O48  1  0.20083500  0.18628100  0.60482800  1.0
  O  O49  1  0.28557600  0.69662700  0.10371400  1.0
  O  O50  1  0.77501300  0.79796200  0.39438300  1.0
  O  O51  1  0.71083600  0.30855300  0.89649900  1.0
  O  O52  1  0.64030900  0.66897100  0.60590500  1.0
  O  O53  1  0.84647600  0.17952600  0.10645300  1.0
  O  O54  1  0.34410300  0.31601900  0.39222500  1.0
  O  O55  1  0.14065900  0.82242900  0.89140600  1.0

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