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  1. Third-Parties
  2. MatprojStructure
  3. mp-556289

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-556289
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Na', 'Er', 'Mo', 'P', 'O']
  • Chemical System: Er-Mo-Na-O-P
  • Density: 4.07024979751526
  • Atomic Density: 0.06806637297986776
  • Unit Cell Volume: 763.9602012491578
  • Molar Volume: 8.847453590308376
  • Full Formula: Na8 Er4 Mo4 P4 O32
  • Reduced Formula: Na2ErMoPO8
  • Formula Anonymous: ABCD2E8
  • Spacegroup Number: 73
  • Spacegroup Symbol: Ibca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -396.70615864
  • Final energy per atom: -7.62896458923077
  • 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.