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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212424

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-1212424
  • 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: 50
  • Number of elements: 5
  • Element list: ['Hg', 'H', 'C', 'I', 'N']
  • Chemical System: C-H-Hg-I-N
  • Density: 2.9626276546115946
  • Atomic Density: 0.05384512241233343
  • Unit Cell Volume: 928.5892158831329
  • Molar Volume: 11.184189932532508
  • Full Formula: Hg2 H24 C4 I8 N12
  • Reduced Formula: HgH12C2(I2N3)2
  • Formula Anonymous: AB2C4D6E12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -255.48872295
  • Final energy per atom: -5.1097744590000005
  • 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.