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  1. Third-Parties
  2. MatprojStructure
  3. mp-42458

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-42458
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 27
  • Number of elements: 5
  • Element list: ['Sr', 'Al', 'P', 'H', 'O']
  • Chemical System: Al-H-O-P-Sr
  • Density: 3.156711413795068
  • Atomic Density: 0.11120441315305758
  • Unit Cell Volume: 242.79611963635125
  • Molar Volume: 5.415379290488545
  • Full Formula: Sr1 Al3 P2 H7 O14
  • Reduced Formula: SrAl3P2(HO2)7
  • Formula Anonymous: AB2C3D7E14
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -183.09064599
  • Final energy per atom: -6.781135036666667
  • 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.