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  1. Third-Parties
  2. MatprojStructure
  3. mp-555476

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-555476
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 27
  • Number of elements: 3
  • Element list: ['Na', 'Os', 'O']
  • Chemical System: Na-O-Os
  • Density: 4.526688902786885
  • Atomic Density: 0.07233074598923046
  • Unit Cell Volume: 373.2852417147766
  • Molar Volume: 8.325838034211142
  • Full Formula: Na9 Os3 O15
  • Reduced Formula: Na3OsO5
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 152
  • Spacegroup Symbol: P3_121
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -168.11199151
  • Final energy per atom: -6.226370055925925
  • 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.