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  1. Third-Parties
  2. MatprojStructure
  3. mp-1048742

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-1048742
  • 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: 26
  • Number of elements: 4
  • Element list: ['Sr', 'Y', 'Ni', 'O']
  • Chemical System: Ni-O-Sr-Y
  • Density: 5.2857842772869255
  • Atomic Density: 0.07104879991195957
  • Unit Cell Volume: 365.94566033793694
  • Molar Volume: 8.47606260410079
  • Full Formula: Sr4 Y4 Ni4 O14
  • Reduced Formula: Sr2Y2Ni2O7
  • Formula Anonymous: A2B2C2D7
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -196.30270225
  • Final energy per atom: -7.550103932692308
  • 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.