Ac3Tm
Traditional Materials TRAMP-ID: mp-1183098 · Space group: P6_3/mmc (#194)
Basic Information
Formula
Ac3Tm
MP-ID
mp-1183098
Elements
2
Sites
8
Density
8.4877
g/cm³
Volume
332.56
ų
Cell a
7.8017
Å
Cell b
7.8017
Å
Cell c
6.3091
Å
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
hP
Stability
No
Packing Fraction
0.7405
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 |
|---|---|---|---|
| 19.25 | 4.6113 | 2.4 | (1,0,-1,1) |
| 26.38 | 3.3782 | 11.5 | (2,-2,0,0) |
| 26.38 | 3.3782 | 23.0 | (2,0,-2,0) |
| 28.29 | 3.1546 | 38.8 | (0,0,0,2) |
| 30.00 | 2.9782 | 50.0 | (2,-2,0,1) |
| 30.00 | 2.9782 | 100.0 | (2,0,-2,1) |
| 39.07 | 2.3056 | 8.3 | (2,-2,0,2) |
| 39.07 | 2.3056 | 16.6 | (2,0,-2,2) |
| 46.56 | 1.9504 | 30.4 | (4,-2,-2,0) |
| 51.16 | 1.7854 | 35.0 | (2,0,-2,3) |
| 54.31 | 1.6891 | 4.9 | (4,0,-4,0) |
| 55.38 | 1.6589 | 24.5 | (4,-2,-2,2) |
| 55.38 | 1.6589 | 12.3 | (2,2,-4,2) |
| 56.39 | 1.6317 | 8.7 | (4,-4,0,1) |
| 56.39 | 1.6317 | 17.4 | (4,0,-4,1) |
| 58.52 | 1.5773 | 5.3 | (0,0,0,4) |
| 62.36 | 1.4891 | 6.4 | (4,0,-4,2) |
| 65.29 | 1.4292 | 5.7 | (2,0,-2,4) |
| 71.66 | 1.3169 | 12.9 | (4,0,-4,3) |
| 74.28 | 1.2769 | 2.6 | (6,-2,-4,0) |
| 74.28 | 1.2769 | 1.3 | (4,2,-6,0) |
| 76.05 | 1.2515 | 14.5 | (6,-2,-4,1) |
| 76.05 | 1.2515 | 7.3 | (4,2,-6,1) |
| 77.89 | 1.2264 | 13.8 | (4,-2,-2,4) |
Energy Properties
Formation Energy/atom
0.07347
eV/atom
Energy/atom
-60.18490
eV/atom
Energy above Hull
0.0735
eV/atom
Uncorrected Energy
-4.1364
eV/atom
Volume/atom
41.57
ų
c/a Ratio
0.8087
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.2311
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000690
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ac · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.592
Family
Binary Alloy
Matrix Element
Ac · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1183098
Reference Citation
The crystal structure and related material properties of Ac3Tm were obtained from the Materials Project database (MP-ID: mp-1183098, 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_Ac3Tm
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.80169470
_cell_length_b 7.80169470
_cell_length_c 6.30910100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000590
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ac3Tm
_chemical_formula_sum 'Ac6 Tm2'
_cell_volume 332.56457642
_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
Ac Ac0 1 0.17001600 0.34003200 0.25000000 1.0
Ac Ac1 1 0.65996800 0.82998400 0.25000000 1.0
Ac Ac2 1 0.17001600 0.82998400 0.25000000 1.0
Ac Ac3 1 0.82998400 0.65996800 0.75000000 1.0
Ac Ac4 1 0.34003200 0.17001600 0.75000000 1.0
Ac Ac5 1 0.82998400 0.17001600 0.75000000 1.0
Tm Tm6 1 0.33333300 0.66666700 0.75000000 1.0
Tm Tm7 1 0.66666700 0.33333300 0.25000000 1.0
