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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233969

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-1233969
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 5
  • Element list: ['K', 'Ca', 'Nd', 'Nb', 'O']
  • Chemical System: Ca-K-Nb-Nd-O
  • Density: 5.220881767630223
  • Atomic Density: 0.061531122987424386
  • Unit Cell Volume: 341.2906994122623
  • Molar Volume: 9.787145866378536
  • Full Formula: K2 Ca1 Nd4 Nb2 O12
  • Reduced Formula: K2CaNd4Nb2O12
  • Formula Anonymous: AB2C2D4E12
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -168.85375802
  • Final energy per atom: -8.040655143809524
  • 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.