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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214999

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-1214999
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Al', 'Fe', 'Hg', 'O', 'F']
  • Chemical System: Al-F-Fe-Hg-O
  • Density: 5.030102246457501
  • Atomic Density: 0.04311788371729559
  • Unit Cell Volume: 463.8446573846465
  • Molar Volume: 13.966689087721575
  • Full Formula: Al2 Fe8 Hg4 O4 F2
  • Reduced Formula: AlFe4Hg2O2F
  • Formula Anonymous: ABC2D2E4
  • Spacegroup Number: 108
  • Spacegroup Symbol: I4cm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -103.10415838
  • Final energy per atom: -5.155207919
  • 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.