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  1. Third-Parties
  2. MatprojStructure
  3. mp-625172

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-625172
  • 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: 36
  • Number of elements: 3
  • Element list: ['H', 'Cl', 'O']
  • Chemical System: Cl-H-O
  • Density: 2.080551834601383
  • Atomic Density: 0.09518084594299471
  • Unit Cell Volume: 378.2273591218233
  • Molar Volume: 6.327051099763028
  • Full Formula: H12 Cl4 O20
  • Reduced Formula: H3ClO5
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -174.66640689000002
  • Final energy per atom: -4.851844635833334
  • 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.