Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1210185

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-1210185
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 4
  • Element list: ['Na', 'Y', 'Ir', 'O']
  • Chemical System: Ir-Na-O-Y
  • Density: 6.903696952438487
  • Atomic Density: 0.0840777614827476
  • Unit Cell Volume: 249.7687810623872
  • Molar Volume: 7.162584557196753
  • Full Formula: Na4 Y2 Ir3 O12
  • Reduced Formula: Na4Y2(IrO4)3
  • Formula Anonymous: A2B3C4D12
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -148.22968541
  • Final energy per atom: -7.0585564480952385
  • 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.