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  1. Third-Parties
  2. MatprojStructure
  3. mp-505271

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-505271
  • 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: 36
  • Number of elements: 3
  • Element list: ['Ni', 'Sb', 'O']
  • Chemical System: Ni-O-Sb
  • Density: 6.341142555487033
  • Atomic Density: 0.0863075890031063
  • Unit Cell Volume: 417.11279872160867
  • Molar Volume: 6.97753329638632
  • Full Formula: Ni4 Sb8 O24
  • Reduced Formula: Ni(SbO3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -239.55799642
  • Final energy per atom: -6.654388789444444
  • 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.