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  1. Third-Parties
  2. MatprojStructure
  3. mp-561062

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-561062
  • 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: 128
  • Number of elements: 4
  • Element list: ['Na', 'Sb', 'P', 'O']
  • Chemical System: Na-O-P-Sb
  • Density: 3.926492895511281
  • Atomic Density: 0.062000538314469576
  • Unit Cell Volume: 2064.4982040442637
  • Molar Volume: 9.713045924626371
  • Full Formula: Na8 Sb24 P16 O80
  • Reduced Formula: NaSb3(PO5)2
  • Formula Anonymous: AB2C3D10
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -886.10853434
  • Final energy per atom: -6.92272292453125
  • 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.