{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=12179","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=12177","results":[{"id":"mp-756246","created_at":"2022-09-04T14:48:12.266610Z","structure_string":"Nd4 Zr4 O12\n1.0\n-3.783361 3.783361 5.422088\n3.783361 -3.783361 5.422088\n3.783361 3.783361 -5.422088\nNd Zr O\n4 4 12\ndirect\n0.625293 0.866348 0.758945 Nd\n0.133652 0.374707 0.241055 Nd\n0.133652 0.892598 0.758945 Nd\n0.107402 0.866348 0.241055 Nd\n0.629559 0.374504 0.744945 Zr\n0.115386 0.370441 0.744945 Zr\n0.625496 0.370441 0.255055 Zr\n0.629559 0.884614 0.255055 Zr\n0.971377 0.471377 0.942754 O\n0.292508 0.707492 0.000000 O\n0.284407 0.284407 0.000000 O\n0.000000 0.000000 0.000000 O\n0.715593 0.715593 0.000000 O\n0.707492 0.707492 0.414984 O\n0.528623 0.471377 0.500000 O\n0.707492 0.292508 0.000000 O\n0.528623 0.028623 0.057246 O\n0.250000 0.750000 0.500000 O\n0.971377 0.028623 0.500000 O\n0.292508 0.292508 0.585016 O\n","nsites":20,"nelements":3,"elements":["Nd","Zr","O"],"chemical_system":"Nd-O-Zr","density":6.064921553203231,"density_atomic":0.06442402833297738,"volume":310.4431765214905,"volume_molar":9.347662534969716,"formula_full":"Nd4 Zr4 O12","formula_reduced":"NdZrO3","formula_anonymous":"ABC3","energy":-183.90786422,"energy_per_atom":-9.195393210999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-175.66386422,"band_gap":0.0509000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001205,"is_theoretical":true,"updated_at":"2021-11-28T01:38:38.543000Z","spacegroup":119},{"id":"mp-753409","created_at":"2022-09-04T14:48:12.269040Z","structure_string":"Li2 Fe1 Co1 O4\n1.0\n2.955797 0.000000 0.000000\n0.000000 5.107908 0.000000\n0.000000 1.747098 4.881827\nLi Fe Co O\n2 1 1 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Co\n0.000000 0.238562 0.272776 O\n0.500000 0.742716 0.268387 O\n0.500000 0.257284 0.731613 O\n0.000000 0.761438 0.727224 O\n","nsites":8,"nelements":4,"elements":["Li","Fe","Co","O"],"chemical_system":"Co-Fe-Li-O","density":4.34045869171903,"density_atomic":0.10854002855593972,"volume":73.70552695107256,"volume_molar":5.548313226116657,"formula_full":"Li2 Fe1 Co1 O4","formula_reduced":"Li2FeCoO4","formula_anonymous":"ABC2D4","energy":-53.379660740000006,"energy_per_atom":-6.672457592500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.73766074,"band_gap":0.282,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.9935354,"is_theoretical":true,"updated_at":"2021-11-28T01:38:34.877000Z","spacegroup":10},{"id":"mp-1522455","created_at":"2022-09-04T14:48:12.271266Z","structure_string":"Ba2 Sr2 Ce2 Hf2 O12\n1.0\n6.063665 -0.001390 -0.009869\n-0.002338 6.070832 -0.009323\n-0.014634 -0.013830 8.560227\nBa Sr Ce Hf O\n2 2 2 2 12\ndirect\n0.505110 0.520710 0.249835 Ba\n0.494890 0.479290 0.750165 Ba\n0.995442 0.029013 0.251647 Sr\n0.004558 0.970987 0.748353 Sr\n-0.000000 0.500000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.500000 0.000000 0.000000 Hf\n-0.000000 0.500000 0.500000 Hf\n0.225951 0.206294 0.955582 O\n0.270758 0.712315 0.531670 O\n0.774049 0.793706 0.044418 O\n0.729242 0.287685 0.468330 O\n0.289175 0.728279 0.965689 O\n0.203263 0.222699 0.542197 O\n0.710825 0.271721 0.034311 O\n0.796737 0.777301 0.457803 O\n0.417268 0.995911 0.240213 O\n0.062102 0.466618 0.259502 O\n0.582732 0.004089 0.759787 O\n0.937898 0.533382 0.740498 O\n","nsites":20,"nelements":5,"elements":["Ba","Sr","Ce","Hf","O"],"chemical_system":"Ba-Ce-Hf-O-Sr","density":6.740417818865404,"density_atomic":0.06346928775235702,"volume":315.1130366869017,"volume_molar":9.488275311197828,"formula_full":"Ba2 Sr2 Ce2 Hf2 O12","formula_reduced":"BaSrCeHfO6","formula_anonymous":"ABCDE6","energy":-171.82199300000002,"energy_per_atom":-8.59109965,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-163.577993,"band_gap":2.1941000000000006,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:25.174000Z","spacegroup":2},{"id":"mp-1096356","created_at":"2022-09-04T14:48:12.405913Z","structure_string":"Sc2 Tl1 Co1\n1.0\n-5.120027 5.516289 7.736124\n5.120027 -5.516289 7.736124\n5.120027 5.516289 -7.736124\nSc Tl Co\n2 1 1\ndirect\n0.000000 0.205839 0.205839 Sc\n0.000000 0.794161 0.794161 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Co\n","nsites":4,"nelements":3,"elements":["Sc","Tl","Co"],"chemical_system":"Co-Sc-Tl","density":0.6711227118180773,"density_atomic":0.004576751321230353,"volume":873.9823772912996,"volume_molar":131.58112244519086,"formula_full":"Sc2 Tl1 Co1","formula_reduced":"Sc2TlCo","formula_anonymous":"ABC2","energy":-13.84461527,"energy_per_atom":-3.4611538175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.84461527,"band_gap":0.0308000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000109,"is_theoretical":true,"updated_at":"2021-11-28T01:38:40.957000Z","spacegroup":71},{"id":"mp-1212310","created_at":"2022-09-04T14:48:12.279271Z","structure_string":"Ho4 Al24 Pd9\n1.0\n-7.342556 0.016388 -1.415620\n-3.683867 6.558972 -0.717712\n0.068448 0.020109 -13.246795\nHo Al Pd\n4 24 9\ndirect\n0.392859 0.169232 0.808818 Ho\n0.607141 0.830768 0.191182 Ho\n0.734097 0.497813 0.808506 Ho\n0.265903 0.502187 0.191494 Ho\n0.685179 0.833865 0.944918 Al\n0.314821 0.166135 0.055082 Al\n0.145853 0.833339 0.560429 Al\n0.854147 0.166661 0.439571 Al\n0.478815 0.166764 0.558318 Al\n0.521185 0.833236 0.441682 Al\n0.215844 0.165434 0.329241 Al\n0.784156 0.834566 0.670759 Al\n0.437157 0.505842 0.670787 Al\n0.562843 0.494158 0.329213 Al\n0.108744 0.159816 0.669713 Al\n0.891256 0.840184 0.330287 Al\n0.353283 0.499695 0.945114 Al\n0.646717 0.500305 0.054886 Al\n0.015813 0.167333 0.953405 Al\n0.984187 0.832667 0.046595 Al\n0.186971 0.499455 0.441115 Al\n0.813029 0.500545 0.558885 Al\n0.733598 0.163436 0.183118 Al\n0.266402 0.836564 0.816882 Al\n0.061578 0.631190 0.815308 Al\n0.938422 0.368810 0.184692 Al\n0.855012 0.041530 0.816132 Al\n0.144988 0.958470 0.183868 Al\n0.119787 0.493347 0.638091 Pd\n0.880213 0.506653 0.361909 Pd\n0.657343 0.170948 0.999555 Pd\n0.342657 0.829052 0.000445 Pd\n0.538992 0.166720 0.361457 Pd\n0.461008 0.833280 0.638543 Pd\n0.778563 0.174037 0.637211 Pd\n0.221437 0.825963 0.362789 Pd\n0.000000 0.500000 0.000000 Pd\n","nsites":37,"nelements":3,"elements":["Ho","Al","Pd"],"chemical_system":"Al-Ho-Pd","density":5.897224863047438,"density_atomic":0.05801241534681566,"volume":637.7945096545778,"volume_molar":10.380779224581207,"formula_full":"Ho4 Al24 Pd9","formula_reduced":"Ho4(Al8Pd3)3","formula_anonymous":"A4B9C24","energy":-181.09875131,"energy_per_atom":-4.8945608462162165,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-181.09875131,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.005188,"is_theoretical":true,"updated_at":"2021-11-28T01:38:40.673000Z","spacegroup":2},{"id":"mp-1195374","created_at":"2022-09-04T14:48:12.290857Z","structure_string":"Hg4 H36 C12 S4 I12\n1.0\n16.591097 0.000000 0.000000\n0.000000 9.050672 0.000000\n0.000000 7.758873 9.853296\nHg H C S I\n4 36 12 4 12\ndirect\n0.521633 0.686000 0.567874 Hg\n0.978367 0.686000 0.067874 Hg\n0.478367 0.314000 0.432126 Hg\n0.021633 0.314000 0.932126 Hg\n0.268238 0.174981 0.787071 H\n0.231762 0.174981 0.287071 H\n0.731762 0.825019 0.212929 H\n0.768238 0.825019 0.712929 H\n0.305969 0.950427 0.928777 H\n0.194031 0.950427 0.428777 H\n0.694031 0.049573 0.071223 H\n0.805969 0.049573 0.571223 H\n0.229371 0.066156 0.956332 H\n0.270629 0.066156 0.456332 H\n0.770629 0.933844 0.043668 H\n0.729371 0.933844 0.543668 H\n0.415815 0.921682 0.113581 H\n0.084185 0.921682 0.613581 H\n0.584185 0.078318 0.886419 H\n0.915815 0.078318 0.386419 H\n0.422318 0.118536 0.115083 H\n0.077682 0.118536 0.615083 H\n0.577682 0.881464 0.884917 H\n0.922318 0.881464 0.384917 H\n0.327492 0.996573 0.151787 H\n0.172508 0.996573 0.651787 H\n0.672508 0.003427 0.848213 H\n0.827492 0.003427 0.348213 H\n0.302964 0.500618 0.785103 H\n0.197036 0.500618 0.285103 H\n0.697036 0.499382 0.214897 H\n0.802964 0.499382 0.714897 H\n0.258538 0.347676 0.953492 H\n0.241462 0.347676 0.453492 H\n0.741462 0.652324 0.046508 H\n0.758538 0.652324 0.546508 H\n0.358098 0.446953 0.928311 H\n0.141902 0.446953 0.428311 H\n0.641902 0.553047 0.071689 H\n0.858098 0.553047 0.571689 H\n0.282198 0.085647 0.895953 C\n0.217802 0.085647 0.395953 C\n0.717802 0.914353 0.104047 C\n0.782198 0.914353 0.604047 C\n0.383264 0.042714 0.092824 C\n0.116736 0.042714 0.592824 C\n0.616736 0.957286 0.907176 C\n0.883264 0.957286 0.407176 C\n0.314437 0.393320 0.894254 C\n0.185563 0.393320 0.394254 C\n0.685563 0.606680 0.105746 C\n0.814437 0.606680 0.605746 C\n0.362988 0.200796 0.913809 S\n0.137012 0.200796 0.413809 S\n0.637012 0.799204 0.086191 S\n0.862988 0.799204 0.586191 S\n0.375476 0.602329 0.505896 I\n0.124524 0.602329 0.005896 I\n0.624524 0.397671 0.494104 I\n0.875476 0.397671 0.994104 I\n0.591038 0.014882 0.344883 I\n0.908962 0.014882 0.844883 I\n0.408962 0.985118 0.655117 I\n0.091038 0.985118 0.155117 I\n0.581875 0.489586 0.827593 I\n0.918125 0.489586 0.327593 I\n0.418125 0.510414 0.172407 I\n0.081875 0.510414 0.672407 I\n","nsites":68,"nelements":5,"elements":["Hg","H","C","S","I"],"chemical_system":"C-H-Hg-I-S","density":2.956030584865266,"density_atomic":0.0459590935578147,"volume":1479.5766133737761,"volume_molar":13.103262692560262,"formula_full":"Hg4 H36 C12 S4 I12","formula_reduced":"HgH9C3SI3","formula_anonymous":"ABC3D3E9","energy":-289.48637399,"energy_per_atom":-4.257152558676471,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-282.92637399,"band_gap":2.3803,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012521,"is_theoretical":false,"updated_at":"2021-11-28T01:38:38.049000Z","spacegroup":14},{"id":"mp-1213608","created_at":"2022-09-04T14:48:12.360147Z","structure_string":"In4 H16 S8 N4 O32\n1.0\n10.649151 0.000000 0.000000\n0.000000 9.256641 0.000000\n0.000000 1.235489 10.125911\nIn H S N O\n4 16 8 4 32\ndirect\n0.245210 0.626966 0.224286 In\n0.745210 0.373034 0.775714 In\n0.996259 0.877148 0.870761 In\n0.496259 0.122852 0.129239 In\n0.183069 0.253509 0.400388 H\n0.683069 0.746491 0.599612 H\n0.183716 0.589618 0.573711 H\n0.683716 0.410382 0.426289 H\n0.178160 0.913821 0.699856 H\n0.678160 0.086179 0.300144 H\n0.409081 0.274661 0.120138 H\n0.909081 0.725339 0.879862 H\n0.204844 0.981878 0.362661 H\n0.704844 0.018122 0.637339 H\n0.657950 0.694636 0.019290 H\n0.157950 0.305364 0.980710 H\n0.857883 0.665416 0.442784 H\n0.357883 0.334584 0.557216 H\n0.148016 0.530151 0.332932 H\n0.648016 0.469849 0.667068 H\n0.231014 0.982462 0.045147 S\n0.731014 0.017538 0.954853 S\n0.666430 0.459327 0.038965 S\n0.166430 0.540673 0.961035 S\n0.386834 0.884031 0.411013 S\n0.886834 0.115969 0.588987 S\n0.487526 0.392035 0.401548 S\n0.987526 0.607965 0.598452 S\n0.459592 0.749588 0.833322 N\n0.959592 0.250412 0.166678 N\n0.903277 0.758480 0.192077 N\n0.403277 0.241520 0.807923 N\n0.060566 0.552070 0.049571 O\n0.560566 0.447930 0.950429 O\n0.343144 0.736230 0.386899 O\n0.843144 0.263770 0.613101 O\n0.156577 0.992152 0.916559 O\n0.656577 0.007848 0.083441 O\n0.366575 0.985228 0.009324 O\n0.866575 0.014772 0.990676 O\n0.168845 0.642320 0.841079 O\n0.668845 0.357680 0.158921 O\n0.664530 0.614437 0.092478 O\n0.164530 0.385563 0.907522 O\n0.423846 0.472604 0.291430 O\n0.923846 0.527396 0.708570 O\n0.415756 0.416705 0.534203 O\n0.915756 0.583295 0.465797 O\n0.011047 0.760146 0.599845 O\n0.511047 0.239854 0.400155 O\n0.195983 0.102299 0.118474 O\n0.695983 0.897701 0.881526 O\n0.444130 0.954625 0.287620 O\n0.944130 0.045375 0.712380 O\n0.262518 0.973618 0.438439 O\n0.762518 0.026382 0.561561 O\n0.196954 0.838349 0.123091 O\n0.696954 0.161651 0.876909 O\n0.111848 0.522632 0.575491 O\n0.611848 0.477368 0.424509 O\n0.287881 0.544408 0.039331 O\n0.787881 0.455592 0.960669 O\n0.460271 0.886420 0.527994 O\n0.960271 0.113580 0.472006 O\n","nsites":64,"nelements":5,"elements":["In","H","S","N","O"],"chemical_system":"H-In-N-O-S","density":2.1625463753964347,"density_atomic":0.06411763015631422,"volume":998.1654007481649,"volume_molar":9.392332101667591,"formula_full":"In4 H16 S8 N4 O32","formula_reduced":"InH4S2NO8","formula_anonymous":"ABC2D4E8","energy":-341.24315905,"energy_per_atom":-5.33192436015625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-319.25915905,"band_gap":2.458,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.999778,"is_theoretical":true,"updated_at":"2021-11-28T01:38:48.481000Z","spacegroup":4},{"id":"mp-973334","created_at":"2022-09-04T14:48:12.373812Z","structure_string":"Na2 Mg2\n1.0\n3.290952 0.000000 0.000000\n0.000000 5.530791 0.000000\n0.000000 0.000000 6.202480\nNa Mg\n2 2\ndirect\n0.500000 0.750000 0.349190 Na\n0.500000 0.250000 0.650810 Na\n0.000000 0.250000 0.134950 Mg\n0.000000 0.750000 0.865050 Mg\n","nsites":4,"nelements":2,"elements":["Na","Mg"],"chemical_system":"Mg-Na","density":1.3912911939665598,"density_atomic":0.03543119688990069,"volume":112.89485964670192,"volume_molar":16.996718396822068,"formula_full":"Na2 Mg2","formula_reduced":"NaMg","formula_anonymous":"AB","energy":-5.40005619,"energy_per_atom":-1.3500140475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.40005619,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0044096,"is_theoretical":true,"updated_at":"2021-11-28T01:38:43.792000Z","spacegroup":51},{"id":"mp-9186","created_at":"2022-09-04T14:48:12.387793Z","structure_string":"Cd4 Se4 O12\n1.0\n5.377569 0.000000 0.000000\n0.000000 6.424399 0.000000\n0.000000 0.000000 8.316446\nCd Se O\n4 4 12\ndirect\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Cd\n0.483553 0.968162 0.750000 Se\n0.983553 0.531838 0.250000 Se\n0.016447 0.468162 0.750000 Se\n0.516447 0.031838 0.250000 Se\n0.632057 0.176264 0.412017 O\n0.132057 0.323736 0.587983 O\n0.867943 0.676264 0.087983 O\n0.367943 0.823736 0.912017 O\n0.367943 0.823736 0.587983 O\n0.867943 0.676264 0.412017 O\n0.132057 0.323736 0.912017 O\n0.632057 0.176264 0.087983 O\n0.201733 0.092337 0.250000 O\n0.701733 0.407663 0.750000 O\n0.298267 0.592337 0.250000 O\n0.798267 0.907663 0.750000 O\n","nsites":20,"nelements":3,"elements":["Cd","Se","O"],"chemical_system":"Cd-O-Se","density":5.533769786068349,"density_atomic":0.06961033540792871,"volume":287.31365655396587,"volume_molar":8.651216410191397,"formula_full":"Cd4 Se4 O12","formula_reduced":"CdSeO3","formula_anonymous":"ABC3","energy":-105.17879702,"energy_per_atom":-5.258939851,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.93479702000002,"band_gap":3.0904000000000007,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:38:36.240000Z","spacegroup":62},{"id":"mp-567465","created_at":"2022-09-04T14:48:12.394937Z","structure_string":"Tl1 C1\n1.0\n0.000000 2.516256 2.516256\n2.516256 0.000000 2.516256\n2.516256 2.516256 0.000000\nTl C\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 C\n","nsites":2,"nelements":2,"elements":["Tl","C"],"chemical_system":"C-Tl","density":11.277162700134701,"density_atomic":0.06276760092895552,"volume":31.863572454581004,"volume_molar":9.594345921897276,"formula_full":"Tl1 C1","formula_reduced":"TlC","formula_anonymous":"AB","energy":-7.37525324,"energy_per_atom":-3.68762662,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.37525324,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010691,"is_theoretical":false,"updated_at":"2021-11-28T01:38:37.645000Z","spacegroup":225},{"id":"mp-561172","created_at":"2022-09-04T14:48:12.407939Z","structure_string":"Ba1 Bi4 Br2 O6\n1.0\n-2.013883 2.013883 16.871032\n2.013883 -2.013883 16.871032\n2.013883 2.013883 -16.871032\nBa Bi Br O\n1 4 2 6\ndirect\n0.500000 0.500000 0.000000 Ba\n0.083693 0.083693 0.000000 Bi\n0.916307 0.916307 0.000000 Bi\n0.786250 0.786250 0.000000 Bi\n0.213750 0.213750 0.000000 Bi\n0.333141 0.333141 0.000000 Br\n0.666859 0.666859 0.000000 Br\n0.444324 0.944324 0.500000 O\n0.555676 0.055676 0.500000 O\n0.055676 0.555676 0.500000 O\n0.944324 0.444324 0.500000 O\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n","nsites":13,"nelements":4,"elements":["Ba","Bi","Br","O"],"chemical_system":"Ba-Bi-Br-O","density":7.456750232873219,"density_atomic":0.04749777217830056,"volume":273.69704733097086,"volume_molar":12.678785727872992,"formula_full":"Ba1 Bi4 Br2 O6","formula_reduced":"BaBi4(BrO3)2","formula_anonymous":"AB2C4D6","energy":-73.4393221,"energy_per_atom":-5.6491786230769225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.2493221,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015114,"is_theoretical":false,"updated_at":"2021-11-28T01:38:39.354000Z","spacegroup":139},{"id":"mp-1078340","created_at":"2022-09-04T14:48:13.072740Z","structure_string":"Ce2 Al4 Pd4\n1.0\n4.308653 0.000000 0.000000\n0.000000 4.308653 0.000000\n0.000000 0.000000 10.383390\nCe Al Pd\n2 4 4\ndirect\n0.000000 0.500000 0.249233 Ce\n0.500000 0.000000 0.750767 Ce\n0.000000 0.500000 0.625499 Al\n0.500000 0.000000 0.374501 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.867514 Pd\n0.500000 0.000000 0.132486 Pd\n0.000000 0.000000 0.500000 Pd\n0.500000 0.500000 0.500000 Pd\n","nsites":10,"nelements":3,"elements":["Ce","Al","Pd"],"chemical_system":"Al-Ce-Pd","density":7.010757399143294,"density_atomic":0.051877351385140054,"volume":192.76234682375164,"volume_molar":11.608419858005714,"formula_full":"Ce2 Al4 Pd4","formula_reduced":"Ce(AlPd)2","formula_anonymous":"AB2C2","energy":-55.71701775,"energy_per_atom":-5.571701774999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-55.71701775,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.992462,"is_theoretical":false,"updated_at":"2021-11-28T01:38:34.911000Z","spacegroup":129}]}