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  1. Third-Parties
  2. MatprojStructure
  3. mp-1044112

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-1044112
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Sr', 'Cu', 'Ni', 'O']
  • Chemical System: Cu-Ni-O-Sr
  • Density: 4.693013522113744
  • Atomic Density: 0.07169739037959165
  • Unit Cell Volume: 334.7402168047597
  • Molar Volume: 8.399386265129918
  • Full Formula: Sr4 Cu4 Ni2 O14
  • Reduced Formula: Sr2Cu2NiO7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -140.26033888
  • Final energy per atom: -5.844180786666667
  • 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.