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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207124

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-1207124
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Ta', 'Hg', 'F']
  • Chemical System: F-Hg-Ta
  • Density: 7.932711007386506
  • Atomic Density: 0.053274740909626556
  • Unit Cell Volume: 187.70621553962425
  • Molar Volume: 11.303932515065167
  • Full Formula: Ta1 Hg3 F6
  • Reduced Formula: TaHg3F6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -49.09478672
  • Final energy per atom: -4.9094786720000005
  • 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.