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  1. Third-Parties
  2. MatprojStructure
  3. mp-726011

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-726011
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 5
  • Element list: ['H', 'W', 'N', 'O', 'F']
  • Chemical System: F-H-N-O-W
  • Density: 2.3698002391607953
  • Atomic Density: 0.09154951500702892
  • Unit Cell Volume: 240.30711684612314
  • Molar Volume: 6.578014923986912
  • Full Formula: H12 W1 N3 O3 F3
  • Reduced Formula: H12WN3(OF)3
  • Formula Anonymous: AB3C3D3E12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -123.73461864
  • Final energy per atom: -5.624300847272727
  • 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.