Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-763244

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-763244
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['Zn', 'Fe', 'H', 'O', 'F']
  • Chemical System: F-Fe-H-O-Zn
  • Density: 3.068494899778459
  • Atomic Density: 0.0952231913852044
  • Unit Cell Volume: 273.0427285809267
  • Molar Volume: 6.324237480803137
  • Full Formula: Zn2 Fe2 H8 O4 F10
  • Reduced Formula: ZnFeH4O2F5
  • Formula Anonymous: ABC2D4E5
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -137.60456981000002
  • Final energy per atom: -5.29248345423077
  • 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.