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  1. Third-Parties
  2. MatprojStructure
  3. mp-559150

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-559150
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 31
  • Number of elements: 5
  • Element list: ['Na', 'Zr', 'P', 'Cl', 'O']
  • Chemical System: Cl-Na-O-P-Zr
  • Density: 2.749333435225954
  • Atomic Density: 0.07193894545615916
  • Unit Cell Volume: 430.9209678211357
  • Molar Volume: 8.371182982755839
  • Full Formula: Na9 Zr1 P4 Cl1 O16
  • Reduced Formula: Na9ZrP4ClO16
  • Formula Anonymous: ABC4D9E16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -206.79091252
  • Final energy per atom: -6.670674597419355
  • 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.