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  1. Third-Parties
  2. MatprojStructure
  3. mp-867932

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-867932
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Sm', 'Mg', 'Ge']
  • Chemical System: Ge-Mg-Sm
  • Density: 6.5671337212329375
  • Atomic Density: 0.04204527240054259
  • Unit Cell Volume: 237.83886817845786
  • Molar Volume: 14.32299142369758
  • Full Formula: Sm4 Mg2 Ge4
  • Reduced Formula: Sm2MgGe2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -48.32887227
  • Final energy per atom: -4.832887227
  • 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.