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  1. Third-Parties
  2. MatprojStructure
  3. mp-675122

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-675122
  • 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: 18
  • Number of elements: 3
  • Element list: ['Na', 'U', 'I']
  • Chemical System: I-Na-U
  • Density: 3.575790617144022
  • Atomic Density: 0.018538233376848158
  • Unit Cell Volume: 970.9663069880035
  • Molar Volume: 32.48497652166182
  • Full Formula: Na4 U2 I12
  • Reduced Formula: Na2UI6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 224
  • Spacegroup Symbol: Pn-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -68.00338436999999
  • Final energy per atom: -3.777965798333333
  • 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.