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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228289

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-1228289
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 6
  • Element list: ['Ba', 'Nd', 'Ti', 'Mn', 'Cu', 'O']
  • Chemical System: Ba-Cu-Mn-Nd-O-Ti
  • Density: 6.498165726161966
  • Atomic Density: 0.07700983486673779
  • Unit Cell Volume: 493.4434681720506
  • Molar Volume: 7.819963216933338
  • Full Formula: Ba4 Nd4 Ti3 Mn1 Cu4 O22
  • Reduced Formula: Ba4Nd4Ti3Mn(Cu2O11)2
  • Formula Anonymous: AB3C4D4E4F22
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -294.59505456
  • Final energy per atom: -7.7525014357894735
  • 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.