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  1. Third-Parties
  2. MatprojStructure
  3. mp-1045989

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-1045989
  • 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: 13
  • Number of elements: 5
  • Element list: ['Sr', 'Y', 'Tl', 'Cr', 'O']
  • Chemical System: Cr-O-Sr-Tl-Y
  • Density: 5.89529688021851
  • Atomic Density: 0.06742416890652576
  • Unit Cell Volume: 192.8091989983991
  • Molar Volume: 8.931724124547772
  • Full Formula: Sr2 Y1 Tl1 Cr2 O7
  • Reduced Formula: Sr2YTlCr2O7
  • Formula Anonymous: ABC2D2E7
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -99.99707989
  • Final energy per atom: -7.692083068461538
  • 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.