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  1. Third-Parties
  2. MatprojStructure
  3. mp-721035

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-721035
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 200
  • Number of elements: 4
  • Element list: ['Cu', 'H', 'N', 'O']
  • Chemical System: Cu-H-N-O
  • Density: 1.430783569560887
  • Atomic Density: 0.08425034711615012
  • Unit Cell Volume: 2373.8774598076593
  • Molar Volume: 7.147912104976483
  • Full Formula: Cu8 H96 N48 O48
  • Reduced Formula: CuH12(NO)6
  • Formula Anonymous: AB6C6D12
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1005.04159261
  • Final energy per atom: -5.02520796305
  • 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.