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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228232

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-1228232
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['Ba', 'Ca', 'Nd', 'Co', 'O']
  • Chemical System: Ba-Ca-Co-Nd-O
  • Density: 6.328349372525939
  • Atomic Density: 0.07846857245841052
  • Unit Cell Volume: 484.2703111508821
  • Molar Volume: 7.674589420104235
  • Full Formula: Ba4 Ca1 Nd3 Co8 O22
  • Reduced Formula: Ba4CaNd3(Co4O11)2
  • Formula Anonymous: AB3C4D8E22
  • Spacegroup Number: 42
  • Spacegroup Symbol: Fmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -274.62538426
  • Final energy per atom: -7.226983796315789
  • 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.