Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-680415

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-680415
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 4
  • Element list: ['Os', 'C', 'Br', 'O']
  • Chemical System: Br-C-O-Os
  • Density: 3.4706747892713747
  • Atomic Density: 0.051704217301814216
  • Unit Cell Volume: 967.0391045305618
  • Molar Volume: 11.647291215814795
  • Full Formula: Os6 C20 Br4 O20
  • Reduced Formula: Os3C10(BrO5)2
  • Formula Anonymous: A2B3C10D10
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -390.95743601
  • Final energy per atom: -7.819148720199999
  • 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.