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  1. Third-Parties
  2. MatprojStructure
  3. mp-554929

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-554929
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Cs', 'Nd', 'Nb', 'O']
  • Chemical System: Cs-Nb-Nd-O
  • Density: 5.437015340563386
  • Atomic Density: 0.06264256418172408
  • Unit Cell Volume: 351.19890584585113
  • Molar Volume: 9.613496571644102
  • Full Formula: Cs2 Nd2 Nb4 O14
  • Reduced Formula: CsNdNb2O7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -191.0896892
  • Final energy per atom: -8.685894963636365
  • 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.