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  1. Third-Parties
  2. MatprojStructure
  3. mp-23546

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-23546
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Na', 'U', 'I']
  • Chemical System: I-Na-U
  • Density: 4.329654225494024
  • Atomic Density: 0.022446543734535498
  • Unit Cell Volume: 400.95259682019116
  • Molar Volume: 26.82881084598577
  • Full Formula: Na2 U1 I6
  • Reduced Formula: Na2UI6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -34.83975627
  • Final energy per atom: -3.8710840300000005
  • 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.