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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182795

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-1182795
  • 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: 20
  • Number of elements: 5
  • Element list: ['Cs', 'Mo', 'N', 'Cl', 'O']
  • Chemical System: Cl-Cs-Mo-N-O
  • Density: 3.1855733529098553
  • Atomic Density: 0.03490734002630061
  • Unit Cell Volume: 572.9454030278786
  • Molar Volume: 17.251789324144077
  • Full Formula: Cs4 Mo2 N2 Cl8 O4
  • Reduced Formula: Cs2MoN(Cl2O)2
  • Formula Anonymous: ABC2D2E4
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -106.7782073
  • Final energy per atom: -5.338910365
  • 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.