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  1. Third-Parties
  2. MatprojStructure
  3. mp-685427

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-685427
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 140
  • Number of elements: 3
  • Element list: ['Hg', 'As', 'Cl']
  • Chemical System: As-Cl-Hg
  • Density: 6.790766478785344
  • Atomic Density: 0.03548449131637897
  • Unit Cell Volume: 3945.3855700441914
  • Molar Volume: 16.971190896627828
  • Full Formula: Hg60 As32 Cl48
  • Reduced Formula: Hg15(As2Cl3)4
  • Formula Anonymous: A8B12C15
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -336.15092769999995
  • Final energy per atom: -2.4010780549999997
  • 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.