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  1. Third-Parties
  2. MatprojStructure
  3. mp-759391

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-759391
  • 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: 156
  • Number of elements: 5
  • Element list: ['Co', 'H', 'I', 'N', 'O']
  • Chemical System: Co-H-I-N-O
  • Density: 3.1039427262319865
  • Atomic Density: 0.06287744069636361
  • Unit Cell Volume: 2481.017011384529
  • Molar Volume: 9.57758568622574
  • Full Formula: Co8 H84 I28 N24 O12
  • Reduced Formula: Co2H21I7(N2O)3
  • Formula Anonymous: A2B3C6D7E21
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -742.37194095
  • Final energy per atom: -4.758794493269231
  • 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.