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  1. Third-Parties
  2. MatprojStructure
  3. mp-17975

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-17975
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['K', 'Sr', 'P', 'O']
  • Chemical System: K-O-P-Sr
  • Density: 3.595327670625964
  • Atomic Density: 0.06836628458940207
  • Unit Cell Volume: 409.55860287221856
  • Molar Volume: 8.808641271305143
  • Full Formula: K4 Sr4 P4 O16
  • Reduced Formula: KSrPO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -197.75857752
  • Final energy per atom: -7.06280634
  • 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.