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  1. Third-Parties
  2. MatprojStructure
  3. mp-532650

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-532650
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Ca', 'Mn', 'B', 'C', 'O']
  • Chemical System: B-C-Ca-Mn-O
  • Density: 3.3887794036341634
  • Atomic Density: 0.087046335758839
  • Unit Cell Volume: 597.382986276016
  • Molar Volume: 6.918316213429456
  • Full Formula: Ca8 Mn6 B6 C2 O30
  • Reduced Formula: Ca4Mn3B3CO15
  • Formula Anonymous: AB3C3D4E15
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -423.02479209000006
  • Final energy per atom: -8.135092155576924
  • 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.