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  1. Third-Parties
  2. MatprojStructure
  3. mp-40206

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-40206
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Ca', 'Nd', 'Nb', 'Fe', 'O']
  • Chemical System: Ca-Fe-Nb-Nd-O
  • Density: 5.254585736566607
  • Atomic Density: 0.07508283083188153
  • Unit Cell Volume: 586.0194602747557
  • Molar Volume: 8.020662904258652
  • Full Formula: Ca4 Nd4 Nb6 Fe2 O28
  • Reduced Formula: Ca2Nd2Nb3FeO14
  • Formula Anonymous: AB2C2D3E14
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -385.16934212
  • Final energy per atom: -8.753848684545455
  • 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.