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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218504

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-1218504
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 4
  • Element list: ['Sr', 'Zr', 'Ti', 'O']
  • Chemical System: O-Sr-Ti-Zr
  • Density: 4.99898468861006
  • Atomic Density: 0.07833347764869396
  • Unit Cell Volume: 319.14834819563026
  • Molar Volume: 7.68782510462231
  • Full Formula: Sr5 Zr1 Ti4 O15
  • Reduced Formula: Sr5ZrTi4O15
  • Formula Anonymous: AB4C5D15
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -211.43459351
  • Final energy per atom: -8.457383740400001
  • 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.