Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1667394

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-1667394
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 6
  • Element list: ['Na', 'Li', 'Mn', 'P', 'C', 'O']
  • Chemical System: C-Li-Mn-Na-O-P
  • Density: 2.7224305979892134
  • Atomic Density: 0.0863621369229314
  • Unit Cell Volume: 602.1157170578608
  • Molar Volume: 6.973126157559174
  • Full Formula: Na4 Li8 Mn4 P4 C4 O28
  • Reduced Formula: NaLi2MnPCO7
  • Formula Anonymous: ABCDE2F7
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -379.63180803
  • Final energy per atom: -7.300611692884615
  • 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.