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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219200

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-1219200
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 5
  • Element list: ['Sm', 'Fe', 'Co', 'As', 'O']
  • Chemical System: As-Co-Fe-O-Sm
  • Density: 6.7906407347545485
  • Atomic Density: 0.054910321891678895
  • Unit Cell Volume: 291.3841960635936
  • Molar Volume: 10.967229024589992
  • Full Formula: Sm4 Fe3 Co1 As4 O4
  • Reduced Formula: Sm4Fe3Co(AsO)4
  • Formula Anonymous: AB3C4D4E4
  • Spacegroup Number: 111
  • Spacegroup Symbol: P-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -116.4810643
  • Final energy per atom: -7.28006651875
  • 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.