Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1219008

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-1219008
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 4
  • Element list: ['Sm', 'Mn', 'Co', 'Cu']
  • Chemical System: Co-Cu-Mn-Sm
  • Density: 8.44952121520048
  • Atomic Density: 0.06850882997716544
  • Unit Cell Volume: 87.5799514018828
  • Molar Volume: 8.790313251601626
  • Full Formula: Sm1 Mn1 Co3 Cu1
  • Reduced Formula: SmMnCo3Cu
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -39.35788787
  • Final energy per atom: -6.5596479783333335
  • 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.