Tm2Zn17

Traditional Materials TRA

MP-ID: mp-30714 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

Tm2Zn17

MP-ID

mp-30714

Elements

Sites

Density

8.2959

g/cm³

Volume

290.20

Å³

Cell a

6.6691

Cell b

6.6691

Cell c

6.6691

α Angle

82.83

β Angle

82.83

γ Angle

82.83

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

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
17.99	4.9316	3.3	(1,1,0)
20.13	4.4118	2.2	(1,0,-1)
20.64	4.3040	1.5	(1,1,1)
24.29	3.6637	5.6	(1,1,-1)
27.12	3.2881	5.9	(2,0,0)
28.98	3.0808	15.0	(2,0,1)
28.98	3.0808	30.0	(2,1,0)
30.05	2.9736	8.7	(2,1,1)
31.75	2.8186	1.1	(2,-1,0)
31.75	2.8186	2.1	(2,0,-1)
34.00	2.6364	16.2	(2,1,-1)
35.23	2.5472	40.7	(2,-1,-1)
35.23	2.5472	20.4	(1,1,-2)
36.44	2.4658	36.6	(2,2,0)
36.74	2.4465	4.8	(2,2,1)
40.91	2.2059	29.6	(2,-2,0)
40.91	2.2059	59.2	(2,0,-2)
41.18	2.1921	100.0	(3,0,0)
41.18	2.1921	50.0	(2,2,-1)
41.98	2.1524	7.0	(3,0,1)
41.98	2.1524	13.9	(3,1,0)
41.98	2.1520	47.8	(2,2,2)
42.24	2.1396	29.5	(3,1,1)
46.25	1.9631	6.2	(3,-1,1)

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Energy Properties

Formation Energy/atom

-0.25293

eV/atom

Energy/atom

-11.92252

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-11.9225

eV/atom

Volume/atom

15.27

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Zn · 0.895

Element Family

N/A

Solute Fraction

0.105

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.775

Family

Zn-based Alloy

Matrix Element

Zn · 0.895

Related Tasks

Related computation task IDs (5)

aaadnmyd aaadrkwj aaaemnfv aaaetpby aaafioyl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30714

Reference Citation

The crystal structure and related material properties of Tm2Zn17 were obtained from the Materials Project database (MP-ID: mp-30714, 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_Tm2Zn17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66909791
_cell_length_b   6.66909792
_cell_length_c   6.66909632
_cell_angle_alpha   82.83364947
_cell_angle_beta   82.83364785
_cell_angle_gamma   82.83366199
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2Zn17
_chemical_formula_sum   'Tm2 Zn17'
_cell_volume   290.20263729
_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
  Tm  Tm0  1  0.66436209  0.66436209  0.66436209  1.0
  Tm  Tm1  1  0.33563791  0.33563791  0.33563791  1.0
  Zn  Zn2  1  0.35205191  0.35205191  0.83850975  1.0
  Zn  Zn3  1  0.35205191  0.83850975  0.35205191  1.0
  Zn  Zn4  1  0.10039507  0.10039507  0.10039507  1.0
  Zn  Zn5  1  0.89960493  0.89960493  0.89960493  1.0
  Zn  Zn6  1  -0.00000000  -0.00000000  0.50000000  1.0
  Zn  Zn7  1  0.50000000  -0.00000000  0.00000000  1.0
  Zn  Zn8  1  -0.00000000  0.50000000  0.00000000  1.0
  Zn  Zn9  1  0.70256128  0.29743872  0.00000000  1.0
  Zn  Zn10  1  -0.00000000  0.70256128  0.29743872  1.0
  Zn  Zn11  1  0.29743872  0.00000000  0.70256128  1.0
  Zn  Zn12  1  0.29743872  0.70256128  -0.00000000  1.0
  Zn  Zn13  1  0.00000000  0.29743872  0.70256128  1.0
  Zn  Zn14  1  0.70256128  -0.00000000  0.29743872  1.0
  Zn  Zn15  1  0.64794809  0.16149025  0.64794809  1.0
  Zn  Zn16  1  0.64794809  0.64794809  0.16149025  1.0
  Zn  Zn17  1  0.16149025  0.64794809  0.64794809  1.0
  Zn  Zn18  1  0.83850975  0.35205191  0.35205191  1.0

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