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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203119

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-1203119
  • 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: 46
  • Number of elements: 6
  • Element list: ['H', 'Os', 'C', 'N', 'O', 'F']
  • Chemical System: C-F-H-N-O-Os
  • Density: 2.135832943357177
  • Atomic Density: 0.08516334901458116
  • Unit Cell Volume: 540.1384578256094
  • Molar Volume: 7.071282223728572
  • Full Formula: H24 Os2 C8 N2 O8 F2
  • Reduced Formula: H12OsC4NO4F
  • Formula Anonymous: ABCD4E4F12
  • Spacegroup Number: 39
  • Spacegroup Symbol: Aem2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -265.90176975
  • Final energy per atom: -5.780473255434783
  • 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.