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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229273

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-1229273
  • 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: 92
  • Number of elements: 4
  • Element list: ['As', 'H', 'Cl', 'O']
  • Chemical System: As-Cl-H-O
  • Density: 1.6663596920240507
  • Atomic Density: 0.07510239190107594
  • Unit Cell Volume: 1224.9942734338129
  • Molar Volume: 8.018573853056902
  • Full Formula: As2 H50 Cl20 O20
  • Reduced Formula: AsH25(ClO)10
  • Formula Anonymous: AB10C10D25
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -421.71688575
  • Final energy per atom: -4.583879192934782
  • 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.