HoTm3

Traditional Materials TRA

MP-ID: mp-1184899 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

HoTm3

MP-ID

mp-1184899

Elements

Sites

Density

9.0377

g/cm³

Volume

246.84

Å³

Cell a

7.0783

Cell b

7.0783

Cell c

5.6889

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
29.14	3.0650	23.4	(2,0,-2,0)
29.14	3.0650	46.8	(2,-2,0,0)
31.45	2.8444	76.9	(0,0,0,2)
33.20	2.6983	100.0	(2,0,-2,1)
33.20	2.6983	100.0	(2,-2,0,1)
33.20	2.6983	100.0	(0,2,-2,1)
43.40	2.0849	16.0	(2,0,-2,2)
43.40	2.0849	16.0	(2,-2,0,2)
43.40	2.0849	16.0	(0,2,-2,2)
51.65	1.7696	19.3	(4,-2,-2,0)
51.65	1.7696	19.3	(2,2,-4,0)
51.65	1.7696	19.3	(2,-4,2,0)
57.12	1.6126	21.5	(2,0,-2,3)
57.12	1.6126	42.9	(2,-2,0,3)
60.40	1.5325	3.0	(4,0,-4,0)
60.40	1.5325	3.0	(4,-4,0,0)
60.40	1.5325	3.0	(0,4,-4,0)
61.74	1.5025	45.3	(4,-2,-2,2)
61.74	1.5025	22.6	(2,-4,2,2)
62.80	1.4798	16.1	(4,0,-4,1)
62.80	1.4798	16.1	(4,-4,0,1)
62.80	1.4798	16.1	(0,4,-4,1)
65.65	1.4222	9.4	(0,0,0,4)
69.70	1.3492	3.9	(4,0,-4,2)

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Energy Properties

Formation Energy/atom

-0.01957

eV/atom

Energy/atom

-34.58069

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-34.5807

eV/atom

Volume/atom

30.86

Å³

c/a Ratio

0.8037

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.0659

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.020520

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tm · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.641

Family

Binary Alloy

Matrix Element

Tm · 0.750

Related Tasks

Related computation task IDs (5)

aaadoimx aaadvfhp aaaekyvo aaaepzzk aaafbhuj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184899

Reference Citation

The crystal structure and related material properties of HoTm3 were obtained from the Materials Project database (MP-ID: mp-1184899, 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_HoTm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07832405
_cell_length_b   7.07829400
_cell_length_c   5.68888074
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99986776
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoTm3
_chemical_formula_sum   'Ho2 Tm6'
_cell_volume   246.84087561
_cell_formula_units_Z   2
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  0.33333666  0.66666883  0.75000100  1.0
  Ho  Ho1  1  0.66666234  0.33333217  0.25000000  1.0
  Tm  Tm2  1  0.16613253  0.33226869  0.25000000  1.0
  Tm  Tm3  1  0.66773530  0.83386865  0.25000000  1.0
  Tm  Tm4  1  0.16613253  0.83386784  0.25000000  1.0
  Tm  Tm5  1  0.83386747  0.66773331  0.75000100  1.0
  Tm  Tm6  1  0.33226570  0.16613235  0.75000100  1.0
  Tm  Tm7  1  0.83386947  0.16613516  0.75000100  1.0

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