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  1. Third-Parties
  2. MatprojStructure
  3. mp-1045706

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-1045706
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 5
  • Element list: ['Sr', 'Y', 'Ti', 'Tl', 'O']
  • Chemical System: O-Sr-Ti-Tl-Y
  • Density: 5.724104645150939
  • Atomic Density: 0.06626570056185695
  • Unit Cell Volume: 196.179922490443
  • Molar Volume: 9.087870057871829
  • Full Formula: Sr2 Y1 Ti2 Tl1 O7
  • Reduced Formula: Sr2YTi2TlO7
  • Formula Anonymous: ABC2D2E7
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -101.9575154
  • Final energy per atom: -7.8428858
  • 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.