Er17Lu3Sn16

高熵材料 HEA 传统材料 TRA

MP-ID: mp-3293676 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Er17Lu3Sn16

MP-ID

mp-3293676

Elements

Sites

Density

8.9720

g/cm³

Volume

974.94

Å³

Cell a

7.9454

Cell b

8.0247

Cell c

15.2909

α Angle

90.00

β Angle

90.00

γ Angle

89.97

Space Group

Point Group

Crystal System

Monoclinic

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
11.57	7.6454	9.9	(0,0,2)
12.46	7.1057	1.3	(0,1,1)
15.69	5.6477	1.2	(1,1,0)
15.70	5.6445	1.2	(1,-1,0)
23.13	3.8451	1.6	(2,0,1)
23.27	3.8227	1.2	(0,0,4)
25.01	3.5611	11.7	(2,1,0)
25.02	3.5595	11.8	(2,-1,0)
25.54	3.4880	7.8	(1,2,1)
25.55	3.4865	7.6	(1,-2,1)
25.69	3.4683	2.9	(2,1,1)
25.70	3.4668	2.9	(2,-1,1)
27.63	3.2281	14.3	(2,1,2)
27.64	3.2269	13.9	(2,-1,2)
28.49	3.1334	5.0	(2,0,3)
30.50	2.9309	99.5	(1,2,3)
30.51	2.9300	100.0	(1,-2,3)
30.63	2.9192	38.8	(2,1,3)
30.63	2.9183	38.5	(2,-1,3)
31.30	2.8577	5.3	(0,1,5)
31.69	2.8238	36.3	(2,2,0)
31.70	2.8223	36.2	(2,-2,0)
32.24	2.7769	10.1	(2,2,1)
32.25	2.7754	10.1	(2,-2,1)

Get direct link

Energy Properties

Formation Energy/atom

-0.82818

eV/atom

Energy/atom

-31.02016

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.0202

eV/atom

Volume/atom

27.08

Å³

c/a Ratio

1.9245

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0113

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 0.472

Element Family

N/A

Solute Fraction

0.528

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.525

Family

Er-rich Multi-Component

Matrix Element

Er · 0.472

Related Tasks

Related computation task IDs (1)

aaahfkhw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293676

Reference Citation

The crystal structure and related material properties of Er17Lu3Sn16 were obtained from the Materials Project database (MP-ID: mp-3293676, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Er17Lu3Sn16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94541491
_cell_length_b   8.02473642
_cell_length_c   15.29086729
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.96816784
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er17Lu3Sn16
_chemical_formula_sum   'Er17 Lu3 Sn16'
_cell_volume   974.94341429
_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
  Er  Er0  1  0.37775842  0.83841574  0.87844269  1.0
  Er  Er1  1  0.87768429  0.66151705  0.62135870  1.0
  Er  Er2  1  0.62258778  0.16175958  0.37889909  1.0
  Er  Er3  1  0.12190442  0.33845269  0.12104605  1.0
  Er  Er4  1  0.62258778  0.16175958  0.12110091  1.0
  Er  Er5  1  0.12190442  0.33845269  0.37895395  1.0
  Er  Er6  1  0.37775842  0.83841574  0.62155731  1.0
  Er  Er7  1  0.87768429  0.66151705  0.87864130  1.0
  Er  Er8  1  0.53341393  0.32184993  0.90051499  1.0
  Er  Er9  1  0.03367972  0.17826076  0.59976686  1.0
  Er  Er10  1  0.46668860  0.67805608  0.40063994  1.0
  Er  Er11  1  0.96658415  0.82145670  0.09932822  1.0
  Er  Er12  1  0.46668860  0.67805608  0.09936006  1.0
  Er  Er13  1  0.96658415  0.82145670  0.40067178  1.0
  Er  Er14  1  0.53341393  0.32184993  0.59948501  1.0
  Er  Er15  1  0.03367972  0.17826076  0.90023314  1.0
  Er  Er16  1  0.29227846  0.00404368  0.25000000  1.0
  Lu  Lu17  1  0.20773903  0.50436502  0.75000000  1.0
  Lu  Lu18  1  0.70775021  0.99560467  0.75000000  1.0
  Lu  Lu19  1  0.79219547  0.49544558  0.25000000  1.0
  Sn  Sn20  1  0.28351543  0.03249255  0.04203166  1.0
  Sn  Sn21  1  0.78321363  0.46786593  0.45743274  1.0
  Sn  Sn22  1  0.71659319  0.96788024  0.54276970  1.0
  Sn  Sn23  1  0.21657761  0.53251716  0.95723311  1.0
  Sn  Sn24  1  0.71659319  0.96788024  0.95723030  1.0
  Sn  Sn25  1  0.21657761  0.53251716  0.54276689  1.0
  Sn  Sn26  1  0.28351543  0.03249255  0.45796834  1.0
  Sn  Sn27  1  0.78321363  0.46786593  0.04256726  1.0
  Sn  Sn28  1  0.57341294  0.62194609  0.75000000  1.0
  Sn  Sn29  1  0.07333981  0.87790526  0.75000000  1.0
  Sn  Sn30  1  0.42654800  0.37853370  0.25000000  1.0
  Sn  Sn31  1  0.92552590  0.12269189  0.25000000  1.0
  Sn  Sn32  1  0.34428175  0.15046167  0.75000000  1.0
  Sn  Sn33  1  0.84447485  0.34989990  0.75000000  1.0
  Sn  Sn34  1  0.65639027  0.84954338  0.25000000  1.0
  Sn  Sn35  1  0.15565997  0.64850935  0.25000000  1.0

Get direct link