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  1. Third-Parties
  2. MatprojStructure
  3. mp-680842

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-680842
  • 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: 18
  • Number of elements: 3
  • Element list: ['Ca', 'Mn', 'Pb']
  • Chemical System: Ca-Mn-Pb
  • Density: 5.362092633333845
  • Atomic Density: 0.03314085929995453
  • Unit Cell Volume: 543.1361883855769
  • Molar Volume: 18.171347657265677
  • Full Formula: Ca10 Mn2 Pb6
  • Reduced Formula: Ca5MnPb3
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -66.09143524
  • Final energy per atom: -3.671746402222222
  • 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.