Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1210507

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-1210507
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 5
  • Element list: ['Na', 'Zn', 'B', 'P', 'O']
  • Chemical System: B-Na-O-P-Zn
  • Density: 2.5235819106488155
  • Atomic Density: 0.0697236758327227
  • Unit Cell Volume: 1204.755759026938
  • Molar Volume: 8.637153288429598
  • Full Formula: Na6 Zn6 B6 P12 O54
  • Reduced Formula: NaZnBP2O9
  • Formula Anonymous: ABCD2E9
  • Spacegroup Number: 178
  • Spacegroup Symbol: P6_122
  • Crystal System: hexagonal
  • Pointgroup: 622

Thermodynamics:

  • Final energy: -577.6010018899999
  • Final energy per atom: -6.87620240345238
  • 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.