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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228415

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-1228415
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Ba', 'Nd', 'Co', 'O']
  • Chemical System: Ba-Co-Nd-O
  • Density: 6.586385949664285
  • Atomic Density: 0.07636654279282301
  • Unit Cell Volume: 366.65271172432153
  • Molar Volume: 7.885836571569882
  • Full Formula: Ba3 Nd3 Co6 O16
  • Reduced Formula: Ba3Nd3(Co3O8)2
  • Formula Anonymous: A3B3C6D16
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -206.73479515
  • Final energy per atom: -7.383385541071428
  • 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.