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  1. Third-Parties
  2. MatprojStructure
  3. mp-707206

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-707206
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 67
  • Number of elements: 5
  • Element list: ['Te', 'P', 'H', 'N', 'O']
  • Chemical System: H-N-O-P-Te
  • Density: 1.9558891611969822
  • Atomic Density: 0.097223417519862
  • Unit Cell Volume: 689.1343845870509
  • Molar Volume: 6.194125770954023
  • Full Formula: Te1 P6 H30 N6 O24
  • Reduced Formula: TeP6H30(NO4)6
  • Formula Anonymous: AB6C6D24E30
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -404.66338228
  • Final energy per atom: -6.039751974328358
  • 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.