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  1. Third-Parties
  2. MatprojStructure
  3. mp-706340

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-706340
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 4
  • Element list: ['Ca', 'La', 'Mn', 'O']
  • Chemical System: Ca-La-Mn-O
  • Density: 4.594071141688848
  • Atomic Density: 0.09047314379561167
  • Unit Cell Volume: 1105.3003776005673
  • Molar Volume: 6.656274455991768
  • Full Formula: Ca18 La2 Mn20 O60
  • Reduced Formula: Ca9LaMn10O30
  • Formula Anonymous: AB9C10D30
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -781.8068309
  • Final energy per atom: -7.818068309
  • 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.