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  1. Third-Parties
  2. MatprojStructure
  3. mp-726398

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-726398
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Ca', 'Y', 'Mn', 'B', 'O']
  • Chemical System: B-Ca-Mn-O-Y
  • Density: 3.671164861579384
  • Atomic Density: 0.0874657174128025
  • Unit Cell Volume: 594.5186472841835
  • Molar Volume: 6.885144189211817
  • Full Formula: Ca6 Y2 Mn6 B8 O30
  • Reduced Formula: Ca3YMn3B4O15
  • Formula Anonymous: AB3C3D4E15
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -434.06917661
  • Final energy per atom: -8.347484165576923
  • 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.