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  1. Third-Parties
  2. MatprojStructure
  3. mp-1028689

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1028689
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 5
  • Element list: ['Te', 'Mo', 'W', 'Se', 'S']
  • Chemical System: Mo-S-Se-Te-W
  • Density: 5.901611108622809
  • Atomic Density: 0.030906652885351823
  • Unit Cell Volume: 388.26591946122346
  • Molar Volume: 19.48493349421926
  • Full Formula: Te4 Mo1 W3 Se2 S2
  • Reduced Formula: Te4MoW3(SeS)2
  • Formula Anonymous: AB2C2D3E4
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -85.65795654
  • Final energy per atom: -7.138163045
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.