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  1. Third-Parties
  2. MatprojStructure
  3. mp-626201

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-626201
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['H', 'Cl', 'O']
  • Chemical System: Cl-H-O
  • Density: 1.8921145873664347
  • Atomic Density: 0.10018013496850116
  • Unit Cell Volume: 479.1369068837076
  • Molar Volume: 6.011312284509792
  • Full Formula: H20 Cl4 O24
  • Reduced Formula: H5ClO6
  • Formula Anonymous: AB5C6
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -238.9813422
  • Final energy per atom: -4.9787779625
  • 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.