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  1. Third-Parties
  2. MatprojStructure
  3. mp-648264

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-648264
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 168
  • Number of elements: 4
  • Element list: ['Os', 'C', 'S', 'O']
  • Chemical System: C-O-Os-S
  • Density: 3.7327129732412785
  • Atomic Density: 0.05614110945435297
  • Unit Cell Volume: 2992.4595654205386
  • Molar Volume: 10.726793286649354
  • Full Formula: Os24 C68 S8 O68
  • Reduced Formula: Os6C17S2O17
  • Formula Anonymous: A2B6C17D17
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -1422.3301649
  • Final energy per atom: -8.466250981547619
  • 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.