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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194938

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-1194938
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 216
  • Number of elements: 5
  • Element list: ['Na', 'H', 'Ru', 'C', 'N']
  • Chemical System: C-H-N-Na-Ru
  • Density: 1.3774410772687964
  • Atomic Density: 0.08540771437350937
  • Unit Cell Volume: 2529.0455503278986
  • Molar Volume: 7.051050135428828
  • Full Formula: Na4 H96 Ru4 C32 N80
  • Reduced Formula: NaH24Ru(C2N5)4
  • Formula Anonymous: ABC8D20E24
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -1342.1624636400002
  • Final energy per atom: -6.213715109444445
  • 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.