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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214084

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-1214084
  • 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: 76
  • Number of elements: 5
  • Element list: ['Co', 'Hg', 'H', 'S', 'O']
  • Chemical System: Co-H-Hg-O-S
  • Density: 5.133072348381865
  • Atomic Density: 0.07871001843529932
  • Unit Cell Volume: 965.5695870846862
  • Molar Volume: 7.651047324998761
  • Full Formula: Co8 Hg8 H12 S8 O40
  • Reduced Formula: Co2Hg2H3(SO5)2
  • Formula Anonymous: A2B2C2D3E10
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -405.76782629
  • Final energy per atom: -5.339050345921053
  • 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.