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  1. Third-Parties
  2. MatprojStructure
  3. mp-28357

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-28357
  • 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: 10
  • Number of elements: 3
  • Element list: ['Nb', 'Hg', 'F']
  • Chemical System: F-Hg-Nb
  • Density: 7.2374005851250525
  • Atomic Density: 0.053896914178137245
  • Unit Cell Volume: 185.5393792481055
  • Molar Volume: 11.17344258355114
  • Full Formula: Nb1 Hg3 F6
  • Reduced Formula: NbHg3F6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -45.91668967
  • Final energy per atom: -4.5916689669999995
  • 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.