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  1. Third-Parties
  2. MatprojStructure
  3. mp-555804

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-555804
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 118
  • Number of elements: 4
  • Element list: ['Na', 'Nd', 'Ru', 'O']
  • Chemical System: Na-Nd-O-Ru
  • Density: 7.007877757483943
  • Atomic Density: 0.07612745720122491
  • Unit Cell Volume: 1550.0320690877004
  • Molar Volume: 7.91060279877981
  • Full Formula: Na6 Nd28 Ru12 O72
  • Reduced Formula: Na3Nd14(RuO6)6
  • Formula Anonymous: A3B6C14D36
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -949.72050286
  • Final energy per atom: -8.04847883779661
  • 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.