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  1. Third-Parties
  2. MatprojStructure
  3. mp-556062

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-556062
  • 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: 54
  • Number of elements: 5
  • Element list: ['Na', 'Nb', 'Tl', 'P', 'O']
  • Chemical System: Na-Nb-O-P-Tl
  • Density: 5.437785456985239
  • Atomic Density: 0.06589925460819912
  • Unit Cell Volume: 819.4326373045404
  • Molar Volume: 9.13840497256661
  • Full Formula: Na2 Nb8 Tl6 P4 O34
  • Reduced Formula: NaNb4Tl3P2O17
  • Formula Anonymous: AB2C3D4E17
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -431.41446215
  • Final energy per atom: -7.989156706481482
  • 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.