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  1. Third-Parties
  2. MatprojStructure
  3. mp-738695

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-738695
  • 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: 96
  • Number of elements: 6
  • Element list: ['H', 'Os', 'C', 'N', 'O', 'F']
  • Chemical System: C-F-H-N-O-Os
  • Density: 2.572545366578076
  • Atomic Density: 0.1006620326313412
  • Unit Cell Volume: 953.6862855887765
  • Molar Volume: 5.982534429892886
  • Full Formula: H48 Os4 C16 N4 O12 F12
  • Reduced Formula: H12OsC4N(OF)3
  • Formula Anonymous: ABC3D3E4F12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -541.8535876899999
  • Final energy per atom: -5.644308205104166
  • 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.