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  1. Third-Parties
  2. MatprojStructure
  3. mp-694919

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-694919
  • 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: 35
  • Number of elements: 5
  • Element list: ['Sr', 'Nd', 'Cu', 'Ni', 'O']
  • Chemical System: Cu-Nd-Ni-O-Sr
  • Density: 6.242076719603651
  • Atomic Density: 0.07401328963331016
  • Unit Cell Volume: 472.88804717913825
  • Molar Volume: 8.136566810955118
  • Full Formula: Sr5 Nd5 Cu1 Ni4 O20
  • Reduced Formula: Sr5Nd5Cu(NiO5)4
  • Formula Anonymous: AB4C5D5E20
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -244.70532676
  • Final energy per atom: -6.991580764571428
  • 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.