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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193970

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-1193970
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Na', 'I', 'O']
  • Chemical System: I-Na-O
  • Density: 2.6566046605512197
  • Atomic Density: 0.04527243203282318
  • Unit Cell Volume: 618.4779289016235
  • Molar Volume: 13.302004088567317
  • Full Formula: Na14 I4 O10
  • Reduced Formula: Na7I2O5
  • Formula Anonymous: A2B5C7
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -104.01509025
  • Final energy per atom: -3.7148246517857144
  • 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.