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  1. Third-Parties
  2. MatprojStructure
  3. mp-532160

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-532160
  • 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: 104
  • Number of elements: 3
  • Element list: ['Ca', 'Mn', 'P']
  • Chemical System: Ca-Mn-P
  • Density: 2.6439931561334538
  • Atomic Density: 0.043270309122465184
  • Unit Cell Volume: 2403.495655777625
  • Molar Volume: 13.917489572251313
  • Full Formula: Ca56 Mn4 P44
  • Reduced Formula: Ca14MnP11
  • Formula Anonymous: AB11C14
  • Spacegroup Number: 45
  • Spacegroup Symbol: Iba2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -496.75787145
  • Final energy per atom: -4.776517994711538
  • 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.