Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-744242

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-744242
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 93
  • Number of elements: 6
  • Element list: ['Na', 'Te', 'Mo', 'H', 'N', 'O']
  • Chemical System: H-Mo-N-Na-O-Te
  • Density: 2.2362797811607154
  • Atomic Density: 0.08330187953578833
  • Unit Cell Volume: 1116.421388307873
  • Molar Volume: 7.229297578349064
  • Full Formula: Na4 Te1 Mo6 H40 N2 O40
  • Reduced Formula: Na4TeMo6H40(NO20)2
  • Formula Anonymous: AB2C4D6E40F40
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -514.86652726
  • Final energy per atom: -5.536199217849463
  • 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.