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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189114

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-1189114
  • Created at: Sept. 4, 2022, 2:40 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: ['Sr', 'Sc', 'Fe', 'P', 'O']
  • Chemical System: Fe-O-P-Sc-Sr
  • Density: 4.4040283543666705
  • Atomic Density: 0.0597649958354864
  • Unit Cell Volume: 267.7152365917133
  • Molar Volume: 10.0763677397
  • Full Formula: Sr4 Sc2 Fe2 P2 O6
  • Reduced Formula: Sr2ScFePO3
  • Formula Anonymous: ABCD2E3
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -116.52565238
  • Final energy per atom: -7.28285327375
  • 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.