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  1. Third-Parties
  2. MatprojStructure
  3. mp-766847

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-766847
  • 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: 20
  • Number of elements: 3
  • Element list: ['W', 'O', 'F']
  • Chemical System: F-O-W
  • Density: 5.120288344933605
  • Atomic Density: 0.06002909265939046
  • Unit Cell Volume: 333.1717857786305
  • Molar Volume: 10.032036956097397
  • Full Formula: W4 O4 F12
  • Reduced Formula: WOF3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -144.06406392
  • Final energy per atom: -7.203203196
  • 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.