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  1. Third-Parties
  2. MatprojStructure
  3. mp-759925

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-759925
  • 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: 76
  • Number of elements: 5
  • Element list: ['Zn', 'Hg', 'H', 'Se', 'O']
  • Chemical System: H-Hg-O-Se-Zn
  • Density: 5.739463488150181
  • Atomic Density: 0.07566455146620633
  • Unit Cell Volume: 1004.4333644658356
  • Molar Volume: 7.958998822175847
  • Full Formula: Zn8 Hg8 H8 Se8 O44
  • Reduced Formula: Zn2Hg2H2Se2O11
  • Formula Anonymous: A2B2C2D2E11
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -378.41660806
  • Final energy per atom: -4.979165895526315
  • 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.