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  1. Third-Parties
  2. MatprojStructure
  3. mp-683972

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-683972
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 156
  • Number of elements: 5
  • Element list: ['Cs', 'Ag', 'C', 'I', 'N']
  • Chemical System: Ag-C-Cs-I-N
  • Density: 3.497512814554639
  • Atomic Density: 0.03826755013548975
  • Unit Cell Volume: 4076.5609360324293
  • Molar Volume: 15.736938316349134
  • Full Formula: Cs30 Ag24 C48 I6 N48
  • Reduced Formula: Cs5Ag4C8IN8
  • Formula Anonymous: AB4C5D8E8
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -984.17142558
  • Final energy per atom: -6.308791189615385
  • 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.