Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-667389

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-667389
  • 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: 164
  • Number of elements: 4
  • Element list: ['Os', 'C', 'S', 'O']
  • Chemical System: C-O-Os-S
  • Density: 3.9874679440251266
  • Atomic Density: 0.05968276284857122
  • Unit Cell Volume: 2747.8620655700106
  • Molar Volume: 10.090251309711556
  • Full Formula: Os24 C68 S4 O68
  • Reduced Formula: Os6C17SO17
  • Formula Anonymous: AB6C17D17
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -1399.2568491600002
  • Final energy per atom: -8.532053958292684
  • 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.