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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194089

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-1194089
  • 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: 29
  • Number of elements: 2
  • Element list: ['Ca', 'Mn']
  • Chemical System: Ca-Mn
  • Density: 7.792024091071151
  • Atomic Density: 0.08621795686198026
  • Unit Cell Volume: 336.3568455516046
  • Molar Volume: 6.9847871362115255
  • Full Formula: Ca1 Mn28
  • Reduced Formula: CaMn28
  • Formula Anonymous: AB28
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -256.50392766
  • Final energy per atom: -8.84496302275862
  • 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.