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Ni\n0.671620 0.327751 0.671620 Ni\n0.034689 0.579125 0.579125 Ni\n0.544997 0.073007 0.073007 Ni\n0.579125 0.579125 0.034689 Ni\n0.073007 0.073007 0.544997 Ni\n0.809037 0.809037 0.809037 Ni\n0.306901 0.306901 0.306901 Ni\n0.579125 0.034689 0.579125 Ni\n0.073007 0.544997 0.073007 Ni\n0.453134 0.928718 0.928718 Ni\n0.952155 0.428124 0.428124 Ni\n0.928718 0.928718 0.453134 Ni\n0.428124 0.428124 0.952155 Ni\n0.690006 0.690006 0.690006 Ni\n0.191057 0.191057 0.191057 Ni\n0.928718 0.453134 0.928718 Ni\n0.428124 0.952155 0.428124 Ni\n0.866779 0.866779 0.400130 B\n0.366495 0.366495 0.901050 B\n0.099172 0.633825 0.633825 B\n0.599564 0.132945 0.132945 B\n0.866779 0.400130 0.866779 B\n0.366495 0.901050 0.366495 B\n0.633825 0.633825 0.099172 B\n0.132945 0.132945 0.599564 B\n0.400130 0.866779 0.866779 B\n0.901050 0.366495 0.366495 B\n0.633825 0.099172 0.633825 B\n0.132945 0.599564 0.132945 B\n","nsites":58,"nelements":4,"elements":["Ta","V","Ni","B"],"chemical_system":"B-Ni-Ta-V","density":9.055715170210766,"density_atomic":0.0996811282249842,"volume":581.8553725544892,"volume_molar":6.041405095664439,"formula_full":"Ta3 V3 Ni40 B12","formula_reduced":"Ta3V3(Ni10B3)4","formula_anonymous":"A3B3C12D40","energy":-393.66734901,"energy_per_atom":-6.787368086379311,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-393.66734901,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0147124,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.630000Z","spacegroup":160},{"id":"mp-755012","created_at":"2022-09-04T14:40:24.650592Z","structure_string":"Li4 Ti3 Mn2 Sn3 O16\n1.0\n6.162554 0.014606 0.006193\n-3.068626 5.315039 -0.000017\n0.008317 0.004775 10.041546\nLi Ti Mn Sn O\n4 3 2 3 16\ndirect\n0.340455 0.670248 0.885953 Li\n0.976715 0.988353 0.996518 Li\n0.984679 0.992352 0.501484 Li\n0.672581 0.336295 0.391417 Li\n0.661284 0.830652 0.218914 Ti\n0.832003 0.169849 0.716056 Ti\n0.831920 0.662254 0.716028 Ti\n0.338863 0.669446 0.501200 Mn\n0.671596 0.335816 0.996668 Mn\n0.168477 0.831431 0.214478 Sn\n0.168483 0.337066 0.214480 Sn\n0.338398 0.169195 0.714543 Sn\n0.145416 0.837868 0.605292 O\n0.033384 0.516708 0.334883 O\n0.346455 0.673231 0.099913 O\n0.989209 0.994614 0.319919 O\n0.988015 0.994023 0.815426 O\n0.145410 0.307547 0.605295 O\n0.497842 0.971391 0.328051 O\n0.497838 0.526475 0.328055 O\n0.305186 0.152596 0.097809 O\n0.689763 0.844854 0.612415 O\n0.529289 0.494973 0.827876 O\n0.529294 0.034328 0.827874 O\n0.684293 0.342156 0.604331 O\n0.833064 0.687322 0.106389 O\n0.967022 0.483510 0.820191 O\n0.833063 0.145745 0.106384 O\n","nsites":28,"nelements":5,"elements":["Li","Ti","Mn","Sn","O"],"chemical_system":"Li-Mn-O-Sn-Ti","density":4.504173943899611,"density_atomic":0.08501525470923568,"volume":329.3526567174797,"volume_molar":7.083600208687937,"formula_full":"Li4 Ti3 Mn2 Sn3 O16","formula_reduced":"Li4Ti3Mn2Sn3O16","formula_anonymous":"A2B3C3D4E16","energy":-212.67718037,"energy_per_atom":-7.595613584642857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-198.34918037,"band_gap":1.348,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0083407,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.144000Z","spacegroup":8}]}