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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195138

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-1195138
  • 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: 54
  • Number of elements: 5
  • Element list: ['Sr', 'Ti', 'Cu', 'P', 'O']
  • Chemical System: Cu-O-P-Sr-Ti
  • Density: 3.937227136442614
  • Atomic Density: 0.08149445699937824
  • Unit Cell Volume: 662.6217535311879
  • Molar Volume: 7.389632352597853
  • Full Formula: Sr2 Ti2 Cu8 P8 O34
  • Reduced Formula: SrTiCu4P4O17
  • Formula Anonymous: ABC4D4E17
  • Spacegroup Number: 90
  • Spacegroup Symbol: P42_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -392.79107118
  • Final energy per atom: -7.273908725555556
  • 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.