Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-676483

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-676483
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 5
  • Element list: ['Na', 'Li', 'Zn', 'P', 'O']
  • Chemical System: Li-Na-O-P-Zn
  • Density: 2.912762939721465
  • Atomic Density: 0.07816785621072783
  • Unit Cell Volume: 307.0315749136052
  • Molar Volume: 7.704114007892564
  • Full Formula: Na2 Li2 Zn2 P4 O14
  • Reduced Formula: NaLiZnP2O7
  • Formula Anonymous: ABCD2E7
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -162.0097273
  • Final energy per atom: -6.750405304166667
  • 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.