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  1. Third-Parties
  2. MatprojStructure
  3. mp-736513

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-736513
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 73
  • Number of elements: 5
  • Element list: ['Co', 'B', 'H', 'N', 'O']
  • Chemical System: B-Co-H-N-O
  • Density: 1.9036527979396212
  • Atomic Density: 0.11544992105745852
  • Unit Cell Volume: 632.3087909576697
  • Molar Volume: 5.216236360181509
  • Full Formula: Co1 B12 H28 N2 O30
  • Reduced Formula: CoB12H28(NO15)2
  • Formula Anonymous: AB2C12D28E30
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -392.67596309
  • Final energy per atom: -5.379122782054794
  • 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.