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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193677

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-1193677
  • 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: 30
  • Number of elements: 4
  • Element list: ['Hg', 'As', 'H', 'O']
  • Chemical System: As-H-Hg-O
  • Density: 6.463768659882407
  • Atomic Density: 0.06622842452230385
  • Unit Cell Volume: 452.9777088370395
  • Molar Volume: 9.092985079196493
  • Full Formula: Hg6 As4 H4 O16
  • Reduced Formula: Hg3As2(HO4)2
  • Formula Anonymous: A2B2C3D8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -150.64645012999998
  • Final energy per atom: -5.021548337666666
  • 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.