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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218658

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-1218658
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['Sr', 'Ta', 'Ti', 'O']
  • Chemical System: O-Sr-Ta-Ti
  • Density: 6.751064648694634
  • Atomic Density: 0.0733682096773999
  • Unit Cell Volume: 626.9745466362345
  • Molar Volume: 8.208106462566496
  • Full Formula: Sr6 Ta8 Ti2 O30
  • Reduced Formula: Sr3Ta4TiO15
  • Formula Anonymous: AB3C4D15
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -428.80394143
  • Final energy per atom: -9.321824813695653
  • 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.