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  1. Third-Parties
  2. MatprojStructure
  3. mp-707849

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-707849
  • 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: 156
  • Number of elements: 4
  • Element list: ['H', 'Os', 'C', 'O']
  • Chemical System: C-H-O-Os
  • Density: 3.6937861739497597
  • Atomic Density: 0.061908120940982796
  • Unit Cell Volume: 2519.8632688062894
  • Molar Volume: 9.727545705580251
  • Full Formula: H8 Os20 C64 O64
  • Reduced Formula: H2Os5(CO)16
  • Formula Anonymous: A2B5C16D16
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1298.8970030700002
  • Final energy per atom: -8.326262840192308
  • 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.