Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-722988

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-722988
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 110
  • Number of elements: 5
  • Element list: ['Te', 'P', 'H', 'N', 'O']
  • Chemical System: H-N-O-P-Te
  • Density: 1.9800179904362292
  • Atomic Density: 0.10032136261262903
  • Unit Cell Volume: 1096.4763350029755
  • Molar Volume: 6.002849844906212
  • Full Formula: Te2 P8 H52 N8 O40
  • Reduced Formula: TeP4H26(NO5)4
  • Formula Anonymous: AB4C4D20E26
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -649.3953826100001
  • Final energy per atom: -5.903594387363637
  • 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.