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  1. Third-Parties
  2. MatprojStructure
  3. mp-559053

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-559053
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Na', 'Y', 'Se', 'O']
  • Chemical System: Na-O-Se-Y
  • Density: 3.9303542955089434
  • Atomic Density: 0.06470303206272782
  • Unit Cell Volume: 618.2090502531797
  • Molar Volume: 9.307354799326404
  • Full Formula: Na4 Y4 Se8 O24
  • Reduced Formula: NaY(SeO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -265.28282409
  • Final energy per atom: -6.632070602250001
  • 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.