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  1. Third-Parties
  2. MatprojStructure
  3. mp-705070

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-705070
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 136
  • Number of elements: 5
  • Element list: ['K', 'Mo', 'C', 'N', 'O']
  • Chemical System: C-K-Mo-N-O
  • Density: 2.0630820720725653
  • Atomic Density: 0.051211792485032756
  • Unit Cell Volume: 2655.638348135297
  • Molar Volume: 11.759285250091649
  • Full Formula: K32 Mo8 C40 N48 O8
  • Reduced Formula: K4MoC5N6O
  • Formula Anonymous: ABC4D5E6
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -988.92896222
  • Final energy per atom: -7.2715364869117645
  • 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.