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  1. Third-Parties
  2. MatprojStructure
  3. mp-652856

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-652856
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 176
  • Number of elements: 4
  • Element list: ['Tl', 'Zn', 'C', 'N']
  • Chemical System: C-N-Tl-Zn
  • Density: 3.8455778330709647
  • Atomic Density: 0.044054792196323425
  • Unit Cell Volume: 3995.025086389762
  • Molar Volume: 13.66966102839222
  • Full Formula: Tl32 Zn16 C64 N64
  • Reduced Formula: Tl2Zn(CN)4
  • Formula Anonymous: AB2C4D4
  • Spacegroup Number: 219
  • Spacegroup Symbol: F-43c
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -1198.79832987
  • Final energy per atom: -6.811354146988637
  • 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.