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  1. Third-Parties
  2. MatprojStructure
  3. mp-561384

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-561384
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 2
  • Element list: ['Zr', 'F']
  • Chemical System: F-Zr
  • Density: 4.373468894796297
  • Atomic Density: 0.07875260524902872
  • Unit Cell Volume: 507.91970466898726
  • Molar Volume: 7.646909890735675
  • Full Formula: Zr8 F32
  • Reduced Formula: ZrF4
  • Formula Anonymous: AB4
  • Spacegroup Number: 84
  • Spacegroup Symbol: P4_2/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -289.61280927
  • Final energy per atom: -7.24032023175
  • 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.