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  1. Third-Parties
  2. MatprojStructure
  3. mp-685197

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-685197
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 73
  • Number of elements: 3
  • Element list: ['Sr', 'Ni', 'O']
  • Chemical System: Ni-O-Sr
  • Density: 5.333590704717337
  • Atomic Density: 0.07784253970679651
  • Unit Cell Volume: 937.7905740866557
  • Molar Volume: 7.7363107404808895
  • Full Formula: Sr18 Ni13 O42
  • Reduced Formula: Sr18Ni13O42
  • Formula Anonymous: A13B18C42
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -460.90733607
  • Final energy per atom: -6.313799124246575
  • 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.