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  1. Third-Parties
  2. MatprojStructure
  3. mp-554764

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-554764
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 3
  • Element list: ['Sb', 'Au', 'F']
  • Chemical System: Au-F-Sb
  • Density: 5.044933049560801
  • Atomic Density: 0.061905881583581415
  • Unit Cell Volume: 1809.1980460497064
  • Molar Volume: 9.727897585739548
  • Full Formula: Sb12 Au12 F88
  • Reduced Formula: Sb3Au3F22
  • Formula Anonymous: A3B3C22
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -494.49614521
  • Final energy per atom: -4.415144153660714
  • 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.