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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208975

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-1208975
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Sr', 'Ca', 'Nb', 'O']
  • Chemical System: Ca-Nb-O-Sr
  • Density: 4.532917804965293
  • Atomic Density: 0.06753207760482968
  • Unit Cell Volume: 592.3111122696946
  • Molar Volume: 8.91745222950066
  • Full Formula: Sr8 Ca4 Nb4 O24
  • Reduced Formula: Sr2CaNbO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 128
  • Spacegroup Symbol: P4/mnc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -303.84805289
  • Final energy per atom: -7.596201322250001
  • 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.