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  1. Third-Parties
  2. MatprojStructure
  3. mp-505259

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-505259
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Sm', 'Fe', 'P', 'O']
  • Chemical System: Fe-O-P-Sm
  • Density: 6.39594393098843
  • Atomic Density: 0.06085402367174275
  • Unit Cell Volume: 131.46213705035183
  • Molar Volume: 9.896043674095374
  • Full Formula: Sm2 Fe2 P2 O2
  • Reduced Formula: SmFePO
  • Formula Anonymous: ABCD
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -60.17409337
  • Final energy per atom: -7.52176167125
  • 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.