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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195037

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-1195037
  • 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: 43
  • Number of elements: 5
  • Element list: ['Co', 'H', 'C', 'N', 'O']
  • Chemical System: C-Co-H-N-O
  • Density: 1.5804591685268568
  • Atomic Density: 0.08135417138009012
  • Unit Cell Volume: 528.5531063810138
  • Molar Volume: 7.402374897120278
  • Full Formula: Co3 H18 C8 N6 O8
  • Reduced Formula: Co3H18C8(N3O4)2
  • Formula Anonymous: A3B6C8D8E18
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -271.31968831
  • Final energy per atom: -6.309760193255814
  • 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.