Y7Te2

传统材料 TRA

MP-ID: mp-642301 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

Y7Te2

MP-ID

mp-642301

Elements

Sites

Density

5.2024

g/cm³

Volume

1,120.41

Å³

Cell a

3.9665

Cell b

12.1672

Cell c

23.2154

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pnma

Point Group

mmm

Crystal System

Orthorhombic

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
7.62	11.6077	15.2	(0,0,2)
10.53	8.3987	6.5	(0,1,2)
15.05	5.8849	2.1	(0,2,1)
16.45	5.3884	6.5	(0,2,2)
18.55	4.7826	1.1	(0,2,3)
20.47	4.3380	1.5	(0,1,5)
21.16	4.1994	4.9	(0,2,4)
23.23	3.8288	1.9	(0,3,2)
23.59	3.7712	8.2	(1,1,0)
23.70	3.7534	5.6	(1,0,2)
23.91	3.7224	2.6	(1,1,1)
24.11	3.6909	3.4	(0,2,5)
24.14	3.6873	4.9	(0,1,6)
26.29	3.3901	2.6	(1,1,3)
27.23	3.2748	6.8	(1,0,4)
27.32	3.2649	2.6	(0,2,6)
29.25	3.0531	42.5	(1,2,3)
30.38	2.9425	47.3	(0,4,2)
30.54	2.9273	100.0	(1,1,5)
30.70	2.9119	10.8	(0,2,7)
31.01	2.8836	3.3	(1,2,4)
31.55	2.8358	50.5	(1,3,0)
31.60	2.8310	5.9	(0,4,3)
31.70	2.8228	49.6	(0,1,8)

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Energy Properties

Formation Energy/atom

-0.61367

eV/atom

Energy/atom

-6.37481

eV/atom

Energy above Hull

0.0577

eV/atom

Uncorrected Energy

-6.2810

eV/atom

Volume/atom

31.12

Å³

c/a Ratio

5.8529

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

2.5722

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.002300

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Y · 0.778

Element Family

N/A

Solute Fraction

0.222

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.604

Family

Binary Alloy

Matrix Element

Y · 0.778

Related Tasks

Related computation task IDs (2)

aaaceopn aaaebfoo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-642301

Reference Citation

The crystal structure and related material properties of Y7Te2 were obtained from the Materials Project database (MP-ID: mp-642301, 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_Y7Te2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96650600
_cell_length_b   12.16723200
_cell_length_c   23.21539400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y7Te2
_chemical_formula_sum   'Y28 Te8'
_cell_volume   1120.40738654
_cell_formula_units_Z   4
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
  Y  Y0  1  0.25000000  0.65016700  0.42681100  1.0
  Y  Y1  1  0.75000000  0.97996400  0.82971400  1.0
  Y  Y2  1  0.75000000  0.87352200  0.04826700  1.0
  Y  Y3  1  0.75000000  0.25421300  0.72354400  1.0
  Y  Y4  1  0.25000000  0.84983300  0.92681100  1.0
  Y  Y5  1  0.75000000  0.52003600  0.32971400  1.0
  Y  Y6  1  0.75000000  0.63772000  0.89851900  1.0
  Y  Y7  1  0.75000000  0.24578700  0.22354400  1.0
  Y  Y8  1  0.75000000  0.34983300  0.57318900  1.0
  Y  Y9  1  0.25000000  0.75421300  0.77645600  1.0
  Y  Y10  1  0.25000000  0.12647800  0.95173300  1.0
  Y  Y11  1  0.25000000  0.61763300  0.02447000  1.0
  Y  Y12  1  0.75000000  0.38236700  0.97553000  1.0
  Y  Y13  1  0.25000000  0.37352200  0.45173300  1.0
  Y  Y14  1  0.75000000  0.86228000  0.39851900  1.0
  Y  Y15  1  0.25000000  0.07961700  0.34568700  1.0
  Y  Y16  1  0.75000000  0.11763300  0.47553000  1.0
  Y  Y17  1  0.25000000  0.36228000  0.10148100  1.0
  Y  Y18  1  0.75000000  0.15016700  0.07318900  1.0
  Y  Y19  1  0.25000000  0.74578700  0.27645600  1.0
  Y  Y20  1  0.75000000  0.62647800  0.54826700  1.0
  Y  Y21  1  0.25000000  0.02003600  0.17028600  1.0
  Y  Y22  1  0.75000000  0.57961700  0.15431300  1.0
  Y  Y23  1  0.25000000  0.42038300  0.84568700  1.0
  Y  Y24  1  0.75000000  0.92038300  0.65431300  1.0
  Y  Y25  1  0.25000000  0.88236700  0.52447000  1.0
  Y  Y26  1  0.25000000  0.47996400  0.67028600  1.0
  Y  Y27  1  0.25000000  0.13772000  0.60148100  1.0
  Te  Te28  1  0.25000000  0.72874400  0.63963400  1.0
  Te  Te29  1  0.75000000  0.22874400  0.86036600  1.0
  Te  Te30  1  0.75000000  0.95053100  0.26743000  1.0
  Te  Te31  1  0.75000000  0.27125600  0.36036600  1.0
  Te  Te32  1  0.25000000  0.77125600  0.13963400  1.0
  Te  Te33  1  0.75000000  0.54946900  0.76743000  1.0
  Te  Te34  1  0.25000000  0.04946900  0.73257000  1.0
  Te  Te35  1  0.25000000  0.45053100  0.23257000  1.0

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