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  1. Third-Parties
  2. MatprojStructure
  3. mp-555034

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-555034
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Te', 'As', 'I', 'F']
  • Chemical System: As-F-I-Te
  • Density: 3.880233600745246
  • Atomic Density: 0.036866188682019504
  • Unit Cell Volume: 1193.5055283178708
  • Molar Volume: 16.33513247583724
  • Full Formula: Te4 As4 I12 F24
  • Reduced Formula: TeAs(IF2)3
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -173.51347116
  • Final energy per atom: -3.9434879809090906
  • 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.