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O\n0.580362 0.253740 0.586869 O\n0.608032 0.761935 0.113720 O\n0.612155 0.761414 0.610473 O\n0.390948 0.177907 0.357218 O\n0.391164 0.180499 0.853253 O\n0.397382 0.728824 0.404172 O\n0.390360 0.728077 0.908922 O\n0.917067 0.241333 0.420900 O\n0.929939 0.243192 0.920377 O\n0.898602 0.729495 0.390233 O\n0.894202 0.733072 0.895466 O\n0.171275 0.253054 0.290315 O\n0.173809 0.252332 0.786053 O\n0.149739 0.736665 0.356718 O\n0.147002 0.734347 0.860249 O\n0.659218 0.225985 0.351816 O\n0.661880 0.225778 0.854164 O\n0.643734 0.728335 0.356803 O\n0.643610 0.726306 0.860968 O\n0.352191 0.762433 0.154078 O\n0.351473 0.767839 0.650723 O\n0.855565 0.272646 0.162539 O\n0.856709 0.270556 0.660773 O\n0.860509 0.771210 0.144156 O\n0.861785 0.772550 0.643928 O\n0.356312 0.486900 0.147446 O\n0.353640 0.486764 0.648855 O\n0.364011 0.035967 0.108103 O\n0.365678 0.035856 0.608128 O\n0.862131 0.479429 0.143484 O\n0.859895 0.478026 0.645939 O\n0.861430 0.979219 0.148954 O\n0.860472 0.979257 0.647733 O\n0.167733 0.014701 0.352008 O\n0.170407 0.016323 0.855055 O\n0.151214 0.516094 0.354975 O\n0.146920 0.516806 0.859020 O\n0.635728 0.028090 0.346510 O\n0.634241 0.030029 0.845420 O\n0.641899 0.519358 0.360477 O\n0.640002 0.521861 0.862982 O\n0.393410 0.518005 0.403978 O\n0.388245 0.517628 0.903508 O\n0.896012 0.013105 0.396181 O\n0.894286 0.014921 0.895748 O\n0.901094 0.518088 0.389307 O\n0.896395 0.514237 0.889362 O\n0.113469 0.468504 0.105239 O\n0.108628 0.476301 0.603295 O\n0.109179 0.984777 0.108586 O\n0.109618 0.983925 0.609005 O\n0.606287 0.486031 0.121186 O\n0.605372 0.488222 0.620885 O\n0.602164 0.982480 0.082325 O\n0.602602 0.981331 0.582016 O\n0.013283 0.376286 0.293065 O\n0.016410 0.376233 0.784589 O\n0.014622 0.876165 0.294602 O\n0.017515 0.879669 0.797474 O\n0.492300 0.377733 0.286967 O\n0.497150 0.379034 0.783645 O\n0.498097 0.870464 0.281506 O\n0.500712 0.869609 0.781449 O\n0.487511 0.624849 0.215549 O\n0.481868 0.625348 0.715714 O\n0.998590 0.130420 0.231719 O\n0.999748 0.128444 0.730833 O\n0.999513 0.624872 0.210059 O\n0.993626 0.622203 0.717005 O\n0.185222 0.167613 0.028989 O\n0.184053 0.158637 0.526684 O\n0.226698 0.624798 0.048507 O\n0.229828 0.631569 0.540545 O\n0.756723 0.127014 0.041444 O\n0.755370 0.125671 0.538046 O\n0.753403 0.623687 0.041530 O\n0.750761 0.624571 0.540439 O\n0.290488 0.340905 0.491932 O\n0.286203 0.350220 0.977964 O\n0.281290 0.882660 0.474296 O\n0.281790 0.879868 0.976084 O\n0.746300 0.376592 0.470180 O\n0.745176 0.376697 0.970576 O\n0.752003 0.869745 0.458763 O\n0.748854 0.870380 0.960600 O\n","nsites":152,"nelements":4,"elements":["Ca","Ti","Mn","O"],"chemical_system":"Ca-Mn-O-Ti","density":3.8813204095470413,"density_atomic":0.08141946553478661,"volume":1866.8754333084848,"volume_molar":7.396438579453742,"formula_full":"Ca32 Ti12 Mn20 O88","formula_reduced":"Ca8Ti3Mn5O22","formula_anonymous":"A3B5C8D22","energy":-1222.26313622,"energy_per_atom":-8.04120484355263,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1128.44713622,"band_gap":0.1391999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":75.9999988,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.764000Z","spacegroup":1},{"id":"mp-1120779","created_at":"2022-09-04T14:45:59.818014Z","structure_string":"K2 In2 Se4\n1.0\n-3.772217 3.772217 4.868791\n3.772217 -3.772217 4.868791\n3.772217 3.772217 -4.868791\nK In Se\n2 2 4\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 K\n0.500000 0.500000 0.000000 In\n0.250000 0.750000 0.500000 In\n0.375000 0.444427 0.569427 Se\n0.875000 0.805573 0.430573 Se\n0.555573 0.125000 0.930573 Se\n0.194427 0.625000 0.069427 Se\n","nsites":8,"nelements":3,"elements":["K","In","Se"],"chemical_system":"In-K-Se","density":3.737070599782652,"density_atomic":0.028867922290927724,"volume":277.1242044847179,"volume_molar":20.86101209262493,"formula_full":"K2 In2 Se4","formula_reduced":"KInSe2","formula_anonymous":"ABC2","energy":-30.61473343,"energy_per_atom":-3.82684167875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.72673343,"band_gap":1.5869,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":3.6e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:37:14.321000Z","spacegroup":122},{"id":"mp-1205832","created_at":"2022-09-04T14:45:59.819056Z","structure_string":"Ba2 Zr1 U1 O6\n1.0\n0.000000 4.349630 4.349630\n4.349630 0.000000 4.349630\n4.349630 4.349630 0.000000\nBa Zr U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 U\n0.754330 0.245670 0.245670 O\n0.245670 0.754330 0.754330 O\n0.245670 0.754330 0.245670 O\n0.754330 0.245670 0.754330 O\n0.245670 0.245670 0.754330 O\n0.754330 0.754330 0.245670 O\n","nsites":10,"nelements":4,"elements":["Ba","Zr","U","O"],"chemical_system":"Ba-O-U-Zr","density":7.061552674587531,"density_atomic":0.06075934146563267,"volume":164.58374562298874,"volume_molar":9.911464829496722,"formula_full":"Ba2 Zr1 U1 O6","formula_reduced":"Ba2ZrUO6","formula_anonymous":"ABC2D6","energy":-88.77011573000001,"energy_per_atom":-8.877011573,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.64811573,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0003779,"is_theoretical":true,"updated_at":"2021-11-28T01:37:21.364000Z","spacegroup":225}]}