Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1211357

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-1211357
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 5
  • Element list: ['Na', 'Co', 'H', 'S', 'O']
  • Chemical System: Co-H-Na-O-S
  • Density: 2.739237851628782
  • Atomic Density: 0.09624272527088734
  • Unit Cell Volume: 748.108491289569
  • Molar Volume: 6.257242553190303
  • Full Formula: Na4 Co6 H20 S6 O36
  • Reduced Formula: Na2Co3H10(SO6)3
  • Formula Anonymous: A2B3C3D10E18
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -435.39725087
  • Final energy per atom: -6.047184039861111
  • 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.