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  1. Third-Parties
  2. MatprojStructure
  3. mp-557549

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-557549
  • 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: 52
  • Number of elements: 5
  • Element list: ['Na', 'Y', 'Mo', 'P', 'O']
  • Chemical System: Mo-Na-O-P-Y
  • Density: 3.330417202492844
  • Atomic Density: 0.06688940850315242
  • Unit Cell Volume: 777.4025987619445
  • Molar Volume: 9.00313053256583
  • Full Formula: Na8 Y4 Mo4 P4 O32
  • Reduced Formula: Na2YMoPO8
  • Formula Anonymous: ABCD2E8
  • Spacegroup Number: 73
  • Spacegroup Symbol: Ibca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -403.58240468
  • Final energy per atom: -7.761200090000001
  • 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.