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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213924

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-1213924
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 5
  • Element list: ['Cd', 'Hg', 'H', 'S', 'O']
  • Chemical System: Cd-H-Hg-O-S
  • Density: 5.464273211955267
  • Atomic Density: 0.06572556389452451
  • Unit Cell Volume: 517.3025225704071
  • Molar Volume: 9.16255472477079
  • Full Formula: Cd4 Hg4 H2 S4 O20
  • Reduced Formula: Cd2Hg2H(SO5)2
  • Formula Anonymous: AB2C2D2E10
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -171.63839722
  • Final energy per atom: -5.048188153529412
  • 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.