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  1. Third-Parties
  2. MatprojStructure
  3. mp-560716

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-560716
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 69
  • Number of elements: 4
  • Element list: ['Cs', 'Cr', 'N', 'O']
  • Chemical System: Cr-Cs-N-O
  • Density: 2.707223398905994
  • Atomic Density: 0.05972549108009042
  • Unit Cell Volume: 1155.2856033862106
  • Molar Volume: 10.08303263999028
  • Full Formula: Cs6 Cr3 N15 O45
  • Reduced Formula: Cs2Cr(NO3)5
  • Formula Anonymous: AB2C5D15
  • Spacegroup Number: 154
  • Spacegroup Symbol: P3_221
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -468.28071325
  • Final energy per atom: -6.786677003623189
  • 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.