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  1. Third-Parties
  2. MatprojStructure
  3. mp-581814

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-581814
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 86
  • Number of elements: 3
  • Element list: ['Ca', 'Mn', 'Bi']
  • Chemical System: Bi-Ca-Mn
  • Density: 6.02593343068327
  • Atomic Density: 0.03235363338045947
  • Unit Cell Volume: 2658.1249465459164
  • Molar Volume: 18.613491378798823
  • Full Formula: Ca42 Mn8 Bi36
  • Reduced Formula: Ca21(Mn2Bi9)2
  • Formula Anonymous: A4B18C21
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -357.88653894
  • Final energy per atom: -4.1614713830232555
  • 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.