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  1. Third-Parties
  2. MatprojStructure
  3. mp-735022

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-735022
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 4
  • Element list: ['Sr', 'P', 'H', 'O']
  • Chemical System: H-O-P-Sr
  • Density: 3.4548553277323615
  • Atomic Density: 0.07932458026099214
  • Unit Cell Volume: 1411.9204870860942
  • Molar Volume: 7.591771352821626
  • Full Formula: Sr16 P16 H16 O64
  • Reduced Formula: SrPHO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -800.14752446
  • Final energy per atom: -7.144174325535714
  • 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.