Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-695154

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-695154
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 5
  • Element list: ['Na', 'Bi', 'P', 'Pb', 'O']
  • Chemical System: Bi-Na-O-P-Pb
  • Density: 5.516336695832949
  • Atomic Density: 0.06644818743701011
  • Unit Cell Volume: 1203.9455564658765
  • Molar Volume: 9.062912010517547
  • Full Formula: Na7 Bi3 P12 Pb10 O48
  • Reduced Formula: Na7Bi3P12(Pb5O24)2
  • Formula Anonymous: A3B7C10D12E48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -552.90025505
  • Final energy per atom: -6.911253188125
  • 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.