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  1. Third-Parties
  2. MatprojStructure
  3. mp-724172

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-724172
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['N', 'Cl', 'O']
  • Chemical System: Cl-N-O
  • Density: 1.6434904440990086
  • Atomic Density: 0.05234038248133586
  • Unit Cell Volume: 114.63424062939451
  • Molar Volume: 11.505725549765414
  • Full Formula: N1 Cl1 O4
  • Reduced Formula: NClO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -25.50741139
  • Final energy per atom: -4.251235231666667
  • 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.