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  1. Third-Parties
  2. MatprojStructure
  3. mp-24765

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-24765
  • 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: 54
  • Number of elements: 7
  • Element list: ['K', 'Ho', 'H', 'Ru', 'C', 'N', 'O']
  • Chemical System: C-H-Ho-K-N-O-Ru
  • Density: 2.590750160089964
  • Atomic Density: 0.07899467567293031
  • Unit Cell Volume: 683.5903754270945
  • Molar Volume: 7.623476783339275
  • Full Formula: K2 Ho2 H16 Ru2 C12 N12 O8
  • Reduced Formula: KHoH8RuC6(N3O2)2
  • Formula Anonymous: ABCD4E6F6G8
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -378.06892597
  • Final energy per atom: -7.001276406851852
  • 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.