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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204359

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-1204359
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['Hg', 'C', 'I', 'N']
  • Chemical System: C-Hg-I-N
  • Density: 2.5551548928641252
  • Atomic Density: 0.027731662689874807
  • Unit Cell Volume: 2163.591872257511
  • Molar Volume: 21.71575800321112
  • Full Formula: Hg4 C32 I16 N8
  • Reduced Formula: HgC8(I2N)2
  • Formula Anonymous: AB2C4D8
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -328.20611032
  • Final energy per atom: -5.470101838666666
  • 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.