position
listlengths
1
20
node_class
listlengths
1
20
unitcell
listlengths
3
3
labels
dict
[ [ 0.154209, 0.36403, 0.058346 ], [ 0.145089, 0.867035, 0.577004 ], [ 0.861839, 0.649932, 0.927119 ], [ 0.352338, 0.873513, 0.173757 ], [ 0.33478, 0.366196, 0.665 ], [ 0.6227, 0.600117, 0.331185 ], [ 0.652946, 0.1...
[ 3, 3, 3, 27, 27, 27, 27, 27, 8, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]
[ [ 5.029149134013033, 0, 1.4505694249427608 ], [ -2.8911845664297275, 4.805387286843074, 0.40872080995961363 ], [ 0, 0, 9.25053361 ] ]
{ "object": { "material_id": "mp-760970", "formation_energy_per_atom": -2.430491682875, "band_gap": 2.4212, "pretty_formula": "Li3Co5OF11", "e_above_hull": 0.0587057823749939, "elements": "['Co', 'F', 'Li', 'O']", "spacegroup.number": 1 } }
[ [ 0, 0, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0.5, 0 ], [ 0.724222, 0.775778, 0.224222 ], [ 0.275778, 0.224222, 0.775778 ], [ 0.5, 0.770387, 0.770387 ], [ 0.5, ...
[ 60, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 42, 42 ]
[ [ 4.398764335826929, 0, -1.6881356211315128 ], [ 2.212805769954722, 6.138344990702826, -0.8090900180591913 ], [ 0, 0, 6.57498405 ] ]
{ "object": { "material_id": "mp-1220581", "formation_energy_per_atom": 0.0303185915384613, "band_gap": 0, "pretty_formula": "Nd(Fe5Mo)2", "e_above_hull": 0.0319589424786315, "elements": "['Fe', 'Mo', 'Nd']", "spacegroup.number": 71 } }
[ [ 0.962343, 0.287205, 0.583387 ], [ 0.026615, 0.221032, 0.250663 ], [ 0.0066, 0.202635, 0.915839 ], [ 0.526615, 0.778968, 0.749337 ], [ 0.462343, 0.712795, 0.416613 ], [ 0.5066, 0.797365, 0.084161 ], [ 0.822912, ...
[ 26, 26, 26, 26, 26, 26, 8, 8, 8, 8, 8, 8, 9, 9, 9, 9, 9, 9 ]
[ [ 4.766247, 0, 2.9184845662478375e-16 ], [ -2.916601261252037e-16, 4.763171329533852, 0.003989164790351695 ], [ 0, 0, 9.23102724 ] ]
{ "object": { "material_id": "mp-753017", "formation_energy_per_atom": -2.0868732397222223, "band_gap": 1.7642000000000002, "pretty_formula": "FeOF", "e_above_hull": 0.0342433500000005, "elements": "['F', 'Fe', 'O']", "spacegroup.number": 4 } }
[ [ 0.008442, 0.991558, 0.3262 ], [ 0.991558, 0.008442, 0.6738 ], [ 0.485613, 0.514388, 0.168675 ], [ 0.514387, 0.485613, 0.831325 ], [ 0.500005, 0.499996, 0.5 ], [ 0.999999, 0.999997, 0.999998 ], [ 0.198771, 0.801...
[ 73, 73, 73, 73, 24, 24, 7, 7, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 4.772576242338831, 0, -0.02281816642480354 ], [ -0.019787916818990302, 4.772535203144938, 0.022821716550149605 ], [ 0, 0, 9.2177002 ] ]
{ "object": { "material_id": "mp-755086", "formation_energy_per_atom": -2.673316738888889, "band_gap": 1.3251000000000004, "pretty_formula": "Ta2CrNO5", "e_above_hull": 0.0746918350000083, "elements": "['Cr', 'N', 'O', 'Ta']", "spacegroup.number": 12 } }
[ [ 0.250478, 0.749522, 0.25 ], [ 0.749522, 0.250478, 0.75 ], [ 0, 0, 0 ], [ 0, 0, 0.5 ], [ 0.542894, 0.457106, 0.25 ], [ 0.457106, 0.542894, 0.75 ], [ 0.62336, 0.37664, 0.041276 ], [ 0.934777, 0.06...
[ 37, 37, 92, 92, 79, 79, 34, 34, 34, 34, 34, 34 ]
[ [ 8.03493737, 0, 4.919980165759976e-16 ], [ -6.926085943525424, 4.073027380551482, 4.919980165759976e-16 ], [ 0, 0, 10.77095 ] ]
{ "object": { "material_id": "mp-867830", "formation_energy_per_atom": -1.2343432265885417, "band_gap": 0, "pretty_formula": "RbUAuSe3", "e_above_hull": 0, "elements": "['Au', 'Rb', 'Se', 'U']", "spacegroup.number": 63 } }
[ [ 0.867588, 0.867588, 0.952499 ], [ 0.132412, 0.132412, 0.047501 ], [ 0.826673, 0.826673, 0.614855 ], [ 0.173327, 0.173327, 0.385145 ], [ 0.453342, 0.453342, 0.641926 ], [ 0.546658, 0.546658, 0.358074 ], [ 0.852704, ...
[ 57, 57, 57, 57, 15, 15, 15, 15, 79, 79, 8, 8 ]
[ [ 6.2448275821171455, 0, 5.056818369546313 ], [ 4.769313332927094, 4.03131763357031, 5.056818369546313 ], [ 0, 0, 10.14253471 ] ]
{ "object": { "material_id": "mp-1095626", "formation_energy_per_atom": -1.8802314702777776, "band_gap": 0, "pretty_formula": "La2P2AuO", "e_above_hull": 0, "elements": "['Au', 'La', 'O', 'P']", "spacegroup.number": 12 } }
[ [ 0, 0, 0 ], [ 0.75, 0.25, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.5 ], [ 0.651018, 0.625, 0.526018 ], [ 0.375, 0.901018, 0.026018 ], [ 0.875, 0.348982, 0.973982 ], [ 0.098982, 0.125, 0.473982...
[ 30, 30, 50, 50, 51, 51, 51, 51 ]
[ [ 5.837562964865778, 0, -5.24395961484689 ], [ -1.1607754012216331, 5.720991333387185, -5.24395961484689 ], [ 0, 0, 7.84705383 ] ]
{ "object": { "material_id": "mp-4756", "formation_energy_per_atom": -0.1593292724999999, "band_gap": 0, "pretty_formula": "ZnSnSb2", "e_above_hull": 0, "elements": "['Zn', 'Sn', 'Sb']", "spacegroup.number": 122 } }
[ [ 0.914513, 0.392314, 0.527736 ], [ 0.085487, 0.613223, 0.477802 ], [ 0.364578, 0.892314, 0.477802 ], [ 0.635422, 0.113223, 0.527736 ], [ 0, 0.011463, 0.011463 ], [ 0.5, 0.511463, 0.011463 ], [ 0.682967, 0.717095...
[ 63, 63, 63, 63, 27, 27, 27, 27, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 5.358203743651529, 0, -6.783637528014935 ], [ -0.5710290401695973, 5.03956207768815, -7.0003446608280875 ], [ 0, 0, 8.64454079 ] ]
{ "object": { "material_id": "mp-1076123", "formation_energy_per_atom": -2.289716889444446, "band_gap": 0, "pretty_formula": "Eu2Co2O5", "e_above_hull": 0.0424469515277952, "elements": "['Co', 'Eu', 'O']", "spacegroup.number": 46 } }
[ [ 0, 0, 0 ], [ 0.615937, 0.615937, 0 ], [ 0.384063, 0.384063, 0 ], [ 0.75, 0.25, 0.5 ], [ 0.25, 0.75, 0.5 ] ]
[ 93, 32, 32, 46, 46 ]
[ [ 3.94238220194662, 0, -4.604712494099452 ], [ -0.5385537216427219, 3.9054240890241685, -4.604712494099452 ], [ 0, 0, 6.06182766 ] ]
{ "object": { "material_id": "mp-10866", "formation_energy_per_atom": -0.4522316437499995, "band_gap": 0, "pretty_formula": "Np(GePd)2", "e_above_hull": 0, "elements": "['Ge', 'Np', 'Pd']", "spacegroup.number": 139 } }
[ [ 0.3333333333333333, 0.6666666666666666, 0.382924 ], [ 0.6666666666666666, 0.3333333333333333, 0.617076 ], [ 0.6666666666666666, 0.3333333333333333, 0.882924 ], [ 0.3333333333333333, 0.6666666666666666, 0.117076 ], [ 0, 0, 0.25 ], [ ...
[ 65, 65, 65, 65, 28, 28, 33, 33, 33, 33 ]
[ [ 4.1064764, 0, 2.514491589517073e-16 ], [ -2.0532386015888036, 3.556312650583834, 2.514491589517073e-16 ], [ 0, 0, 14.403438 ] ]
{ "object": { "material_id": "mp-1079205", "formation_energy_per_atom": -1.2461017209999994, "band_gap": 0, "pretty_formula": "Tb2NiAs2", "e_above_hull": 0, "elements": "['As', 'Ni', 'Tb']", "spacegroup.number": 194 } }
[ [ 0.868661, 0.131339, 0.75 ], [ 0.131339, 0.868661, 0.25 ], [ 0.599166, 0.400834, 0.25 ], [ 0.400834, 0.599166, 0.75 ], [ 0.240112, 0.375149, 0.221875 ], [ 0.624851, 0.759888, 0.278125 ], [ 0.375149, 0.240112, ...
[ 19, 19, 83, 83, 8, 8, 8, 8 ]
[ [ 5.234327725733228, 0, 2.2728129084241515 ], [ -1.2020725925787348, 5.094429136080962, 2.2728129084241515 ], [ 0, 0, 6.08178429 ] ]
{ "object": { "material_id": "mp-30988", "formation_energy_per_atom": -1.7274063657499994, "band_gap": 2.0739, "pretty_formula": "KBiO2", "e_above_hull": 0, "elements": "['Bi', 'K', 'O']", "spacegroup.number": 15 } }
[ [ 0, 0.58616, 0.5 ], [ 0.41384, 0.41384, 0.5 ], [ 0.58616, 0, 0.5 ], [ 0.247719, 0, 0 ], [ 0, 0.247719, 0 ], [ 0, 0, 0.5 ], [ 0.752281, 0.752281, 0 ], [ 0.6666666666666666, 0.3333333333333333, ...
[ 72, 72, 72, 29, 29, 29, 29, 14, 14 ]
[ [ 6.29758647, 0, 3.856159556419589e-16 ], [ -3.14879370427676, 5.453869594612077, 3.856159556419589e-16 ], [ 0, 0, 3.969443 ] ]
{ "object": { "material_id": "mp-15987", "formation_energy_per_atom": -0.4833867411111099, "band_gap": 0, "pretty_formula": "Hf3(Cu2Si)2", "e_above_hull": 0, "elements": "['Hf', 'Cu', 'Si']", "spacegroup.number": 189 } }
[ [ 0.855747, 0.144253, 0.5 ], [ 0.362835, 0.637165, 0 ], [ 0.638691, 0.361309, 0 ], [ 0.13538, 0.86462, 0.5 ], [ 0.499821, 0.500179, 0.5 ], [ 0.997314, 0.002686, 0 ], [ 0.179792, 0.820208, 0 ], [ 0.658...
[ 56, 59, 59, 59, 28, 28, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 6.95943281, 0, 4.261423557323785e-16 ], [ -4.833085544901775, 5.007493300301659, 4.261423557323785e-16 ], [ 0, 0, 5.487866 ] ]
{ "object": { "material_id": "mp-1227893", "formation_energy_per_atom": -2.752743868928572, "band_gap": 0.4845000000000001, "pretty_formula": "BaPr3(NiO4)2", "e_above_hull": 0.0383336758035746, "elements": "['Ba', 'Ni', 'O', 'Pr']", "spacegroup.number": 38 } }
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.074609, 0.074609, 0.651261 ], [ 0.651261, 0.074609, 0.074609 ], [ 0.074609, 0.651261, 0.074609 ], [ 0.925391, 0.348739, 0.925391 ], [ 0.348739, 0.925391, 0.925391 ], [ ...
[ 19, 15, 9, 9, 9, 9, 9, 9 ]
[ [ 4.788140034619394, 0, 3.084823692152761 ], [ 1.6821733157922996, 4.482920691553817, 3.084823692152761 ], [ 0, 0, 5.695825 ] ]
{ "object": { "material_id": "mp-675569", "formation_energy_per_atom": -3.0869626289166665, "band_gap": 7.1313, "pretty_formula": "KPF6", "e_above_hull": 0.0059184937500003, "elements": "['F', 'K', 'P']", "spacegroup.number": 166 } }
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0, 0 ] ]
[ 38, 40, 8, 8, 8 ]
[ [ 4.197594, 0, 2.570285028110067e-16 ], [ -2.570285028110067e-16, 4.197594, 2.570285028110067e-16 ], [ 0, 0, 4.197594 ] ]
{ "object": { "material_id": "mp-3323", "formation_energy_per_atom": -3.607315214333333, "band_gap": 3.5794, "pretty_formula": "SrZrO3", "e_above_hull": 0.0549305415000009, "elements": "['Sr', 'Zr', 'O']", "spacegroup.number": 221 } }
[ [ 0.6666666666666666, 0.3333333333333333, 0 ], [ 0, 0, 0 ], [ 0.3333333333333333, 0.6666666666666666, 0 ], [ 0.659871, 0.829936, 0.5 ], [ 0.170064, 0.829936, 0.5 ], [ 0.170064, 0.340129, 0.5 ] ]
[ 39, 13, 27, 27, 27, 27 ]
[ [ 5.04585868, 0, 3.0896973407059447e-16 ], [ -2.5229300225997076, 4.369841406687019, 3.0896973407059447e-16 ], [ 0, 0, 3.871326 ] ]
{ "object": { "material_id": "mp-1215955", "formation_energy_per_atom": -0.2510651194444442, "band_gap": 0, "pretty_formula": "YAlCo4", "e_above_hull": 0.0505101955128219, "elements": "['Al', 'Co', 'Y']", "spacegroup.number": 187 } }
[ [ 0.736956, 0.990188, 0.372864 ], [ 0.263044, 0.009812, 0.627136 ], [ 0.736596, 0.988967, 0.870941 ], [ 0.263404, 0.011033, 0.129059 ], [ 0, 0.5, 0 ], [ 0, 0.5, 0.5 ], [ 0.954562, 0.735715, 0.305851 ], [ ...
[ 22, 22, 22, 22, 26, 27, 16, 16, 16, 16, 16, 16, 16, 16 ]
[ [ 5.796923839900056, 0, 0.0013624149095919306 ], [ -2.8841569142767547, 5.553078125836267, -1.6856395057717903 ], [ 0, 0, 6.74825435 ] ]
{ "object": { "material_id": "mp-1217221", "formation_energy_per_atom": -1.4142099188095238, "band_gap": 0, "pretty_formula": "Ti4FeCoS8", "e_above_hull": 0.0213151874603116, "elements": "['Co', 'Fe', 'S', 'Ti']", "spacegroup.number": 2 } }
[ [ 0, 0, 0 ], [ 0.198802, 0.198802, 0.38834 ], [ 0.801198, 0.801198, 0.61166 ], [ 0.430172, 0.430172, 0.767803 ], [ 0.569828, 0.569828, 0.232197 ], [ 0.301146, 0.729581, 0.689444 ], [ 0.698854, 0.270419, 0.310...
[ 55, 55, 55, 34, 34, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 6.093202339826924, 0, 2.0497326969693748 ], [ 2.6964355737187407, 5.464096444139359, 2.0497326969693748 ], [ 0, 0, 8.62529302 ] ]
{ "object": { "material_id": "mp-1214772", "formation_energy_per_atom": -1.5984149060369697, "band_gap": 0.4225, "pretty_formula": "Cs3(SeO4)2", "e_above_hull": 0, "elements": "['Cs', 'O', 'Se']", "spacegroup.number": 12 } }
[ [ 0, 0, 0 ], [ 0.75, 0.25, 0.5 ], [ 0.25, 0.75, 0.5 ], [ 0.65352, 0.65352, 0 ], [ 0.34648, 0.34648, 0 ] ]
[ 56, 25, 25, 15, 15 ]
[ [ 3.6729326964784867, 0, -5.939991872475809 ], [ -0.29665844381153295, 3.6609327172970616, -5.939991872475809 ], [ 0, 0, 6.98383405 ] ]
{ "object": { "material_id": "mp-19857", "formation_energy_per_atom": -0.7619516825057474, "band_gap": 0, "pretty_formula": "Ba(MnP)2", "e_above_hull": 0, "elements": "['Ba', 'Mn', 'P']", "spacegroup.number": 139 } }
[ [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0.299066 ], [ 0, 0.5, 0.700934 ], [ 0.5, 0, 0.299066 ], [ 0.5, 0, 0.700934 ], [ 0, 0, 0 ] ]
[ 48, 15, 78, 78, 78, 78, 78 ]
[ [ 3.981161, 0, 2.437758037770138e-16 ], [ -2.437758037770138e-16, 3.981161, 2.437758037770138e-16 ], [ 0, 0, 7.151413 ] ]
{ "object": { "material_id": "mp-1025187", "formation_energy_per_atom": -0.3376155261904766, "band_gap": 0, "pretty_formula": "CdPPt5", "e_above_hull": 0, "elements": "['Cd', 'P', 'Pt']", "spacegroup.number": 123 } }
[ [ 0.74506, 0.211749, 0.612291 ], [ 0.254883, 0.788266, 0.38765 ], [ 0.185591, 0.391765, 0.836897 ], [ 0.814306, 0.608224, 0.163189 ], [ 0.745977, 0.082809, 0.081913 ], [ 0.254258, 0.917187, 0.918026 ], [ 0.639411, ...
[ 23, 23, 23, 23, 24, 24, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 5.244479209989977, 0, 1.7468546636907945 ], [ -1.2743826397821336, 6.94447353589676, -0.7930021098260065 ], [ 0, 0, 6.76814225 ] ]
{ "object": { "material_id": "mp-1315222", "formation_energy_per_atom": -2.348136220555556, "band_gap": 1.3683, "pretty_formula": "V2CrO6", "e_above_hull": 0.0537309296527865, "elements": "['Cr', 'O', 'V']", "spacegroup.number": 2 } }
[ [ 0.25, 0.911275, 0.704903 ], [ 0.75, 0.088725, 0.295097 ], [ 0.25, 0.603107, 0.286021 ], [ 0.75, 0.396893, 0.713979 ], [ 0.25, 0.362131, 0.239739 ], [ 0.75, 0.637869, 0.760261 ], [ 0.25, 0.790683, 0.054783 ...
[ 11, 11, 42, 42, 8, 8, 8, 8, 8, 8, 9, 9 ]
[ [ 3.760762, 0, 2.3028025728274994e-16 ], [ -3.833053476778919e-16, 6.259851378287421, 2.267224859980606 ], [ 0, 0, 7.31294839 ] ]
{ "object": { "material_id": "mp-1209982", "formation_energy_per_atom": -2.286658162341954, "band_gap": 3.2544, "pretty_formula": "NaMoO3F", "e_above_hull": 0, "elements": "['F', 'Mo', 'Na', 'O']", "spacegroup.number": 11 } }
[ [ 0.027318, 0.665986, 0.25 ], [ 0.972682, 0.334014, 0.75 ], [ 0.665986, 0.027318, 0.25 ], [ 0.334014, 0.972682, 0.75 ], [ 0.791042, 0.791042, 0.75 ], [ 0.208958, 0.208958, 0.25 ], [ 0.5, 0.5, 0.5 ], [ ...
[ 11, 11, 11, 11, 33, 33, 79, 79 ]
[ [ 5.71730316, 0, 3.500838507324524e-16 ], [ -1.2518861710402698, 5.57856042703708, 3.500838507324524e-16 ], [ 0, 0, 5.836948 ] ]
{ "object": { "material_id": "mp-7773", "formation_energy_per_atom": -0.4894722657758623, "band_gap": 0.5065, "pretty_formula": "Na2AsAu", "e_above_hull": 0, "elements": "['As', 'Au', 'Na']", "spacegroup.number": 63 } }
[ [ 0.36228, 0.75, 0.02778 ], [ 0.13772, 0.75, 0.52778 ], [ 0.63772, 0.25, 0.97222 ], [ 0.86228, 0.25, 0.47222 ], [ 0.638779, 0.75, 0.380328 ], [ 0.861221, 0.75, 0.880328 ], [ 0.361221, 0.25, 0.619672 ], [ ...
[ 66, 66, 66, 66, 14, 14, 14, 14, 78, 78, 78, 78, 78, 78, 78, 78 ]
[ [ 5.555036, 0, 3.4014785282741584e-16 ], [ -4.2648257424732622e-16, 6.964989, 4.2648257424732622e-16 ], [ 0, 0, 7.36034 ] ]
{ "object": { "material_id": "mp-1188085", "formation_energy_per_atom": -1.1637857718750002, "band_gap": 0, "pretty_formula": "DySiPt2", "e_above_hull": 0, "elements": "['Dy', 'Pt', 'Si']", "spacegroup.number": 62 } }
[ [ 0.749283, 0.250717, 0.25 ], [ 0.250717, 0.749283, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.967899, 0.032101, 0.75 ], [ 0.032101, 0.967899, 0.25 ], [ 0.136052, 0.863948, 0.438848 ], [ 0.863948...
[ 56, 56, 66, 66, 29, 29, 52, 52, 52, 52, 52, 52 ]
[ [ 7.82052388, 0, 4.788689768648719e-16 ], [ -6.560497659362402, 4.25681385770516, 4.788689768648719e-16 ], [ 0, 0, 11.435058 ] ]
{ "object": { "material_id": "mp-9503", "formation_energy_per_atom": -1.4494345983333332, "band_gap": 0.5186000000000002, "pretty_formula": "BaDyCuTe3", "e_above_hull": 0, "elements": "['Ba', 'Dy', 'Cu', 'Te']", "spacegroup.number": 63 } }
[ [ 0.175089, 0.350178, 0.25 ], [ 0.649822, 0.824911, 0.25 ], [ 0.175089, 0.824911, 0.25 ], [ 0.824911, 0.649822, 0.75 ], [ 0.350178, 0.175089, 0.75 ], [ 0.824911, 0.175089, 0.75 ], [ 0.3333333333333333, 0.66666666...
[ 63, 63, 63, 63, 63, 63, 49, 49 ]
[ [ 7.44878249, 0, 4.561063816961676e-16 ], [ -3.724391730255595, 6.450834583442234, 4.561063816961676e-16 ], [ 0, 0, 5.819622 ] ]
{ "object": { "material_id": "mp-1184515", "formation_energy_per_atom": -0.2243352837500012, "band_gap": 0, "pretty_formula": "Eu3In", "e_above_hull": 0.0262110645833359, "elements": "['Eu', 'In']", "spacegroup.number": 194 } }
[ [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.748511, 0.251489, 0.251489 ], [ 0.251489, 0.251489, 0.748511 ], [ 0.251489, 0.748511, 0.748511 ], [ 0.251489, 0.7485...
[ 37, 37, 69, 29, 17, 17, 17, 17, 17, 17 ]
[ [ 6.3429585910476325, 0, 3.662108850000001 ], [ 2.1143195303492113, 5.980198710020334, 3.662108850000001 ], [ 0, 0, 7.3242177 ] ]
{ "object": { "material_id": "mp-1112412", "formation_energy_per_atom": -2.1395627851666665, "band_gap": 2.506, "pretty_formula": "Rb2TmCuCl6", "e_above_hull": 0.0329320717500003, "elements": "['Cl', 'Cu', 'Rb', 'Tm']", "spacegroup.number": 225 } }
[ [ 0.500009, 0.309694, 0.690343 ], [ 0.500005, 0.688779, 0.311213 ], [ 0.907438, 0.212984, 0.217409 ], [ 0.092561, 0.782589, 0.787009 ], [ 0.999997, 0.992065, 0.007931 ], [ 0.724974, 0.077811, 0.37543 ], [ 0.27502, ...
[ 25, 25, 15, 15, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 4.565019547495794, 0, -0.6205593480956159 ], [ -0.9359330486800493, 5.233411812501695, -1.392452497390155 ], [ 0, 0, 5.49571371 ] ]
{ "object": { "material_id": "mp-1221802", "formation_energy_per_atom": -2.5817737015935207, "band_gap": 2.8531000000000004, "pretty_formula": "Mn2P2O7", "e_above_hull": 0.0002342231817866, "elements": "['Mn', 'O', 'P']", "spacegroup.number": 5 } }
[ [ 0.99899, 0.99899, 0 ], [ 0.363577, 0.363577, 0 ], [ 0.754544, 0.254544, 0.5 ], [ 0.254544, 0.754544, 0.5 ], [ 0.628344, 0.628344, 0 ] ]
[ 63, 14, 28, 28, 32 ]
[ [ 3.8126608279698075, 0, -4.301018761457526 ], [ -0.5488706128210604, 3.772946281027183, -4.301018761457526 ], [ 0, 0, 5.74762081 ] ]
{ "object": { "material_id": "mp-1225155", "formation_energy_per_atom": -0.6219961180000005, "band_gap": 0, "pretty_formula": "EuSiNi2Ge", "e_above_hull": 0, "elements": "['Eu', 'Ge', 'Ni', 'Si']", "spacegroup.number": 107 } }
[ [ 0.839809, 0.839809, 0.436671 ], [ 0.164531, 0.164531, 0.933155 ], [ 0.574867, 0.574867, 0.304972 ], [ 0.420291, 0.420291, 0.809318 ], [ 0.090348, 0.090348, 0.56036 ], [ 0.910153, 0.910153, 0.058564 ] ]
[ 80, 80, 53, 35, 35, 35 ]
[ [ 4.4359622893093995, 0, 0.09060298300918636 ], [ 1.439443029078851, 4.195922449022549, 0.09060298300918636 ], [ 0, 0, 13.46992252 ] ]
{ "object": { "material_id": "mp-1223974", "formation_energy_per_atom": -0.7561023129166666, "band_gap": 2.568, "pretty_formula": "Hg2IBr3", "e_above_hull": 0.0086246554687496, "elements": "['Br', 'Hg', 'I']", "spacegroup.number": 8 } }
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
[ 62, 49, 45, 45 ]
[ [ 4.126253657669216, 0, 2.3822936600000006 ], [ 1.3754178858897388, 3.890269256311597, 2.3822936600000006 ], [ 0, 0, 4.76458732 ] ]
{ "object": { "material_id": "mp-867978", "formation_energy_per_atom": -0.65750622875, "band_gap": 0, "pretty_formula": "SmInRh2", "e_above_hull": 0, "elements": "['Sm', 'In', 'Rh']", "spacegroup.number": 225 } }
[ [ 0.75, 0.25, 0.5 ], [ 0.25, 0.75, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
[ 57, 57, 57, 68 ]
[ [ 4.750122711554128, 0, -4.275088415481957 ], [ -0.9421822732897325, 4.655744659957302, -4.275088415481957 ], [ 0, 0, 6.39062178 ] ]
{ "object": { "material_id": "mp-972912", "formation_energy_per_atom": 0.0322711137500002, "band_gap": 0, "pretty_formula": "La3Er", "e_above_hull": 0.0322711137500002, "elements": "['La', 'Er']", "spacegroup.number": 139 } }
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ] ]
[ 70, 61, 79, 79 ]
[ [ 4.463846000483183, 0, 2.5772026900000005 ], [ 1.4879486668277278, 4.208554369485476, 2.5772026900000005 ], [ 0, 0, 5.15440538 ] ]
{ "object": { "material_id": "mp-865894", "formation_energy_per_atom": -0.8926132243749993, "band_gap": 0, "pretty_formula": "YbPmAu2", "e_above_hull": 0, "elements": "['Yb', 'Pm', 'Au']", "spacegroup.number": 225 } }
[ [ 0.3333333333333333, 0.6666666666666666, 0.75 ], [ 0.6666666666666666, 0.3333333333333333, 0.25 ], [ 0, 0, 0 ], [ 0, 0, 0.5 ], [ 0.3333333333333333, 0.6666666666666666, 0.414959 ], [ 0.3333333333333333, 0.6666666666666666, ...
[ 55, 55, 57, 57, 8, 8, 8, 8 ]
[ [ 3.79546825, 0, 2.324054021813953e-16 ], [ -1.8977343785686858, 3.286971777359305, 2.324054021813953e-16 ], [ 0, 0, 13.849947 ] ]
{ "object": { "material_id": "mp-1178449", "formation_energy_per_atom": -2.9175727932327584, "band_gap": 2.9809, "pretty_formula": "CsLaO2", "e_above_hull": 0, "elements": "['Cs', 'La', 'O']", "spacegroup.number": 194 } }
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.294593, 0.294593, 0 ], [ 0.705407, 0.705407, 0 ], [ 0.205407, 0.794593, 0.5 ], [ 0.794593, 0.205407, 0.5 ] ]
[ 94, 94, 35, 35, 35, 35 ]
[ [ 7.23898, 0, 4.4325968430458533e-16 ], [ -4.4325968430458533e-16, 7.23898, 4.4325968430458533e-16 ], [ 0, 0, 4.244123 ] ]
{ "object": { "material_id": "mp-861727", "formation_energy_per_atom": -1.7914737233333329, "band_gap": 0, "pretty_formula": "PuBr2", "e_above_hull": 0, "elements": "['Br', 'Pu']", "spacegroup.number": 136 } }
[ [ 0.973511, 0.596199, 0.71935 ], [ 0.71935, 0.973511, 0.596199 ], [ 0.596199, 0.71935, 0.973511 ], [ 0.026489, 0.403801, 0.28065 ], [ 0.28065, 0.026489, 0.403801 ], [ 0.403801, 0.28065, 0.026489 ], [ 0, 0, 0 ...
[ 67, 67, 67, 67, 67, 67, 78, 78, 78, 78, 78, 78, 78, 78 ]
[ [ 7.155435061565856, 0, -3.234669242099163 ], [ -5.0120863024071625, 5.106783901587032, -3.234669242099163 ], [ 0, 0, 7.85260028 ] ]
{ "object": { "material_id": "mp-1103863", "formation_energy_per_atom": -1.2413031407142856, "band_gap": 0, "pretty_formula": "Ho3Pt4", "e_above_hull": 0, "elements": "['Ho', 'Pt']", "spacegroup.number": 148 } }
[ [ 0.5, 0.5, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0, 0, 0 ], [ 0.824359, 0.166523, 0.315735 ], [ 0.324359, 0.833477, 0.184265 ], [ 0.158786, 0.336991, 0.850086 ], [ 0.658786, 0.663009, 0.64...
[ 20, 20, 46, 46, 9, 9, 9, 9, 9, 9, 9, 9 ]
[ [ 5.531275, 0, 3.386929111976888e-16 ], [ -3.378545722242043e-16, 5.517583885564912, 0.215405986739936 ], [ 0, 0, 5.5594698 ] ]
{ "object": { "material_id": "mp-1227095", "formation_energy_per_atom": -2.7691164041666667, "band_gap": 0, "pretty_formula": "CaPdF4", "e_above_hull": 0.0672422641666621, "elements": "['Ca', 'F', 'Pd']", "spacegroup.number": 14 } }
[ [ 0.25, 0.75, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.25, 0.5 ], [ 0, 0, 0 ], [ 0.99866, 0.49866, 0.5 ], [ 0.774177, 0.774177, 0 ], [ 0.50134, 0.00134, 0.5 ], [ 0.225823, 0.225823, 0 ] ]
[ 3, 3, 29, 50, 8, 8, 8, 8 ]
[ [ 3.85780620301206, 0, -3.8652182965845574 ], [ -0.6600997294149398, 3.8009126597732616, -3.8652182965845574 ], [ 0, 0, 5.46100551 ] ]
{ "object": { "material_id": "mp-1177995", "formation_energy_per_atom": -1.828305726458333, "band_gap": 0, "pretty_formula": "Li2CuSnO4", "e_above_hull": 0.0759081028124999, "elements": "['Cu', 'Li', 'O', 'Sn']", "spacegroup.number": 119 } }
[ [ 0.17234, 0.506455, 0.498168 ], [ 0.506455, 0.17234, 0.498168 ], [ 0.82766, 0.493545, 0.998168 ], [ 0.493545, 0.82766, 0.998168 ], [ 0.836153, 0.836153, 0.465656 ], [ 0.163847, 0.163847, 0.965656 ], [ 0.10455, 0...
[ 11, 11, 11, 11, 32, 32, 8, 8, 8, 8, 8, 8 ]
[ [ 6.32424899, 0, 3.8724856413071906e-16 ], [ -3.172425080871224, 5.471000310160403, 3.8724856413071906e-16 ], [ 0, 0, 4.999448 ] ]
{ "object": { "material_id": "mp-5784", "formation_energy_per_atom": -2.139358738850575, "band_gap": 2.9833, "pretty_formula": "Na2GeO3", "e_above_hull": 0, "elements": "['Na', 'Ge', 'O']", "spacegroup.number": 36 } }
[ [ 0.74756, 0.74756, 0.75 ], [ 0.25244, 0, 0.75 ], [ 0, 0.25244, 0.75 ], [ 0.25244, 0.25244, 0.25 ], [ 0.74756, 0, 0.25 ], [ 0, 0.74756, 0.25 ], [ 0.6666666666666666, 0.3333333333333333, 0 ], [ 0.33333...
[ 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 29, 29, 82, 82, 82, 82, 82, 82 ]
[ [ 9.7546861, 0, 5.97302255452609e-16 ], [ -4.877343151735001, 8.44780590980622, 5.97302255452609e-16 ], [ 0, 0, 7.134077 ] ]
{ "object": { "material_id": "mp-1188578", "formation_energy_per_atom": -0.5058219011111105, "band_gap": 0, "pretty_formula": "La5CuPb3", "e_above_hull": 0.0191553566666691, "elements": "['Cu', 'La', 'Pb']", "spacegroup.number": 193 } }
[ [ 0, 0, 0 ], [ 0.661951, 0.661951, 0 ], [ 0.338049, 0.338049, 0 ] ]
[ 23, 46, 46 ]
[ [ 3.496632995858965, 0, -3.266478946600452 ], [ -0.34224810271764816, 2.6083891571000186, -3.9969362338699956 ], [ 0, 0, 4.78501066 ] ]
{ "object": { "material_id": "mp-11549", "formation_energy_per_atom": -0.2800535766666669, "band_gap": 0, "pretty_formula": "VPd2", "e_above_hull": 0, "elements": "['V', 'Pd']", "spacegroup.number": 71 } }
[ [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
[ 3, 3, 48, 46 ]
[ [ 3.8549371478148644, 0, 2.2256490000000007 ], [ 1.2849790492716215, 3.6344695976904253, 2.2256490000000007 ], [ 0, 0, 4.451298 ] ]
{ "object": { "material_id": "mp-865582", "formation_energy_per_atom": -0.3831672066666667, "band_gap": 0, "pretty_formula": "Li2CdPd", "e_above_hull": 0, "elements": "['Li', 'Cd', 'Pd']", "spacegroup.number": 225 } }
[ [ 0, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
[ 20, 12 ]
[ [ 4.036242, 0, 2.471485422942055e-16 ], [ -2.471485422942055e-16, 4.036242, 2.471485422942055e-16 ], [ 0, 0, 3.840635 ] ]
{ "object": { "material_id": "mp-1094998", "formation_energy_per_atom": -0.0787535899999998, "band_gap": 0, "pretty_formula": "CaMg", "e_above_hull": 0.0008076968749999, "elements": "['Ca', 'Mg']", "spacegroup.number": 123 } }
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.733731, 0.733731, 0.733731 ], [ 0.266269, 0.266269, 0.266269 ] ]
[ 62, 81, 16, 16 ]
[ [ 3.9864810463708444, 0, 6.822268513364971 ], [ 1.8471256947870887, 3.5327266807285413, 6.822268513364971 ], [ 0, 0, 7.90160646 ] ]
{ "object": { "material_id": "mp-999138", "formation_energy_per_atom": -1.7167817361458333, "band_gap": 1.7766999999999995, "pretty_formula": "SmTlS2", "e_above_hull": 0, "elements": "['S', 'Sm', 'Tl']", "spacegroup.number": 166 } }
[ [ 0.828796, 0.328796, 0.5 ], [ 0.328796, 0.171204, 0.5 ], [ 0.671204, 0.828796, 0.5 ], [ 0.171204, 0.671204, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ], [ 0.378388, 0.878388, 0 ], [ 0.878388, 0.621612, ...
[ 39, 39, 39, 39, 12, 12, 29, 29, 29, 29 ]
[ [ 7.684828, 0, 4.705600006098978e-16 ], [ -4.705600006098978e-16, 7.684828, 4.705600006098978e-16 ], [ 0, 0, 3.676329 ] ]
{ "object": { "material_id": "mp-4901", "formation_energy_per_atom": -0.2384414756666672, "band_gap": 0, "pretty_formula": "Y2MgCu2", "e_above_hull": 0, "elements": "['Y', 'Mg', 'Cu']", "spacegroup.number": 127 } }
[ [ 0, 0, 0.493198 ], [ 0.6666666666666666, 0.3333333333333333, 0.857164 ], [ 0.3333333333333333, 0.6666666666666666, 0.76722 ], [ 0.6666666666666666, 0.3333333333333333, 0.254418 ] ]
[ 68, 29, 34, 34 ]
[ [ 4.11808952, 0, 2.52160257463513e-16 ], [ -2.059044279469344, 3.566370416812925, 2.52160257463513e-16 ], [ 0, 0, 6.22269 ] ]
{ "object": { "material_id": "mp-675180", "formation_energy_per_atom": -1.4314965061718752, "band_gap": 1.0458999999999996, "pretty_formula": "ErCuSe2", "e_above_hull": 0.0177404856249978, "elements": "['Er', 'Cu', 'Se']", "spacegroup.number": 156 } }
[ [ 0.665099, 0.665099, 0.665099 ], [ 0.334901, 0.334901, 0.334901 ], [ 0.351747, 0.351747, 0.838132 ], [ 0.838132, 0.351747, 0.351747 ], [ 0.099798, 0.099798, 0.099798 ], [ 0.900202, 0.900202, 0.900202 ], [ 0, 0, ...
[ 39, 39, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30 ]
[ [ 6.745606736631646, 0, 0.8854486097967844 ], [ 0.7768171276257783, 6.700728721230064, 0.8854486097967844 ], [ 0, 0, 6.8034722 ] ]
{ "object": { "material_id": "mp-17639", "formation_energy_per_atom": -0.2492888375438597, "band_gap": 0, "pretty_formula": "Y2Zn17", "e_above_hull": 0, "elements": "['Y', 'Zn']", "spacegroup.number": 166 } }
[ [ 0.6666666666666666, 0.3333333333333333, 0.5 ], [ 0.3333333333333333, 0.6666666666666666, 0.5 ], [ 0.3333333333333333, 0.6666666666666666, 0 ], [ 0.6666666666666666, 0.3333333333333333, 0 ], [ 0.779004, 0.779004, 0.25 ], [ 0.220996...
[ 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 32, 32, 32, 32, 32, 32, 6, 6 ]
[ [ 8.31437168, 0, 5.091084332416702e-16 ], [ -4.157185520793921, 7.200457275679608, 5.091084332416702e-16 ], [ 0, 0, 6.300197 ] ]
{ "object": { "material_id": "mp-1105603", "formation_energy_per_atom": -0.7444590105555551, "band_gap": 0, "pretty_formula": "Lu5Ge3C", "e_above_hull": 0, "elements": "['C', 'Ge', 'Lu']", "spacegroup.number": 193 } }
[ [ 0.632957, 0.747061, 0.618019 ], [ 0.985062, 0.367043, 0.114104 ], [ 0.129043, 0.014938, 0.381981 ], [ 0.5, 0.5, 0 ], [ 0.252939, 0.870957, 0.885896 ], [ 0.75, 0.25, 0.5 ], [ 0.380116, 0.270967, 0.248758 ]...
[ 62, 62, 62, 62, 62, 47, 16, 16, 16, 16, 16, 16, 16, 16 ]
[ [ 6.925717902000266, 0, -2.4772270279871145 ], [ -3.436001796566223, 6.013273660168864, -2.4772270279871145 ], [ 0, 0, 7.35542128 ] ]
{ "object": { "material_id": "mp-37923", "formation_energy_per_atom": -2.115449554047619, "band_gap": 1.6500000000000004, "pretty_formula": "Sm5AgS8", "e_above_hull": 0.0220682625892845, "elements": "['Ag', 'S', 'Sm']", "spacegroup.number": 82 } }
[ [ 0.335584, 0.642872, 0.648292 ], [ 0.5, 0, 0 ], [ 0.664416, 0.357128, 0.351708 ], [ 0.887889, 0.793029, 0.792956 ], [ 0.112111, 0.206971, 0.207044 ], [ 0.269416, 0.658978, 0.91082 ], [ 0.465223, 0.036089, 0....
[ 41, 41, 41, 77, 77, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34 ]
[ [ 5.5474635285656255, 0, -1.6861740572085726 ], [ -0.9721466709462107, 7.040852405847649, -3.11147885769146 ], [ 0, 0, 9.25785619 ] ]
{ "object": { "material_id": "mp-1220701", "formation_energy_per_atom": -0.9062717228958328, "band_gap": 0, "pretty_formula": "Nb3(IrSe5)2", "e_above_hull": 0.0499536091666668, "elements": "['Ir', 'Nb', 'Se']", "spacegroup.number": 2 } }
[ [ 0, 0, 0 ], [ 0, 0.316488, 0.683512 ], [ 0, 0.683512, 0.316488 ], [ 0, 0.330851, 0.04828 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.301499, 0.698501 ], [ 0.5, 0.698501, 0.301499 ], [ 0, 0.04828, 0.330851 ...
[ 73, 73, 73, 8, 8, 8, 8, 8, 8, 8, 9 ]
[ [ 3.94206, 0, 2.413815580523408e-16 ], [ -3.452499522583877e-16, 5.638359607011004, -2.5997989260947563 ], [ 0, 0, 6.20886867 ] ]
{ "object": { "material_id": "mp-1173127", "formation_energy_per_atom": -3.321449731590909, "band_gap": 2.0355, "pretty_formula": "Ta3O7F", "e_above_hull": 0.0547744536363659, "elements": "['F', 'O', 'Ta']", "spacegroup.number": 65 } }
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
[ 38, 12 ]
[ [ 4.195784, 0, 2.569176722756839e-16 ], [ -2.569176722756839e-16, 4.195784, 2.569176722756839e-16 ], [ 0, 0, 4.195784 ] ]
{ "object": { "material_id": "mp-2564", "formation_energy_per_atom": -0.0578280183333332, "band_gap": 0, "pretty_formula": "SrMg", "e_above_hull": 0.0114813908333333, "elements": "['Sr', 'Mg']", "spacegroup.number": 221 } }
[ [ 0.109329, 0.109329, 0.07997 ], [ 0.698488, 0.698488, 0.70042 ], [ 0.306353, 0.306353, 0.297894 ], [ 0.887789, 0.887789, 0.918569 ], [ 0.989441, 0.989441, 0.493743 ], [ 0.508353, 0.508353, 0.985365 ], [ 0.740416, ...
[ 72, 72, 72, 72, 72, 7, 7, 7, 7, 7, 8, 8 ]
[ [ 5.214553455749226, 0, 1.4118852091757492 ], [ 4.311347389756066, 2.9332322491936695, 1.4118852091757492 ], [ 0, 0, 9.16992847 ] ]
{ "object": { "material_id": "mp-761034", "formation_energy_per_atom": -2.360834127083334, "band_gap": 0, "pretty_formula": "Hf5N5O2", "e_above_hull": 0.072467053958336, "elements": "['Hf', 'N', 'O']", "spacegroup.number": 8 } }
[ [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ] ]
[ 3, 3, 3, 80 ]
[ [ 4.010940253393079, 0, 2.3157174350000003 ], [ 1.3369800844643598, 3.781550736144447, 2.3157174350000003 ], [ 0, 0, 4.63143487 ] ]
{ "object": { "material_id": "mp-1646", "formation_energy_per_atom": -0.2799295562500001, "band_gap": 0, "pretty_formula": "Li3Hg", "e_above_hull": 0, "elements": "['Li', 'Hg']", "spacegroup.number": 225 } }
[ [ 0.576352, 0.326124, 0.250227 ], [ 0.924103, 0.673876, 0.250227 ], [ 0.755984, 0.802174, 0.95381 ], [ 0.151636, 0.197826, 0.95381 ], [ 0.592432, 0.5, 0.092432 ] ]
[ 32, 32, 7, 7, 8 ]
[ [ 4.355618538905182, 0, -3.303636993057369 ], [ -0.43739322391520763, 2.9432036557254704, -4.586029834938815 ], [ 0, 0, 5.46675683 ] ]
{ "object": { "material_id": "mp-1178197", "formation_energy_per_atom": -0.7903305569999993, "band_gap": 2.512900000000001, "pretty_formula": "Ge2N2O", "e_above_hull": 0.0283095049999975, "elements": "['Ge', 'N', 'O']", "spacegroup.number": 44 } }
[ [ 0.500005, 0.250009, 0.999995 ], [ 0.999986, 0.749993, 0.500014 ], [ 0.500009, 0.000767, 0.500001 ], [ 0.999998, 0.499231, 0.999992 ], [ 0.499984, 0.750012, 0.000016 ], [ 0.99996, 0.249988, 0.500039 ], [ 0.000025, ...
[ 3, 3, 3, 3, 26, 26, 28, 28, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 4.792325508001056, 0, 1.9276762456541654 ], [ -0.00011554630530335174, 5.782318996092382, -0.00017843552636462244 ], [ 0, 0, 5.16552338 ] ]
{ "object": { "material_id": "mp-753050", "formation_energy_per_atom": -1.7177550545833338, "band_gap": 0, "pretty_formula": "Li2FeNiO4", "e_above_hull": 0.0036536559374988, "elements": "['Fe', 'Li', 'Ni', 'O']", "spacegroup.number": 119 } }
[ [ 0.626154, 0.626154, 0.626154 ], [ 0.001938, 0.001938, 0.001938 ], [ 0.625767, 0.119014, 0.625767 ], [ 0.119014, 0.625767, 0.625767 ], [ 0.625767, 0.625767, 0.119014 ], [ 0.246526, 0.246526, 0.246526 ], [ 0.865742, ...
[ 12, 30, 26, 26, 26, 26, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 5.204386794003507, 0, 3.0565431783846346 ], [ 1.749585638721351, 4.901488752856433, 3.0565431783846346 ], [ 0, 0, 6.0355687 ] ]
{ "object": { "material_id": "mp-1221978", "formation_energy_per_atom": -1.8864922757142848, "band_gap": 1.7325000000000004, "pretty_formula": "MgZn(FeO2)4", "e_above_hull": 0.0399398567857147, "elements": "['Fe', 'Mg', 'O', 'Zn']", "spacegroup.number": 160 } }
[ [ 0, 0, 0 ], [ 0.3333333333333333, 0.6666666666666666, 0.5 ] ]
[ 3, 46 ]
[ [ 2.79987039, 0, 1.7144261555704757e-16 ], [ -1.399935586883423, 2.424758658789802, 1.7144261555704757e-16 ], [ 0, 0, 4.19543 ] ]
{ "object": { "material_id": "mp-2744", "formation_energy_per_atom": -0.4377072416666663, "band_gap": 0, "pretty_formula": "LiPd", "e_above_hull": 0, "elements": "['Li', 'Pd']", "spacegroup.number": 187 } }
[ [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
[ 3, 3, 12, 80 ]
[ [ 4.054064741816626, 0, 2.3406153700000005 ], [ 1.3513549139388756, 3.8222088937437686, 2.3406153700000005 ], [ 0, 0, 4.68123074 ] ]
{ "object": { "material_id": "mp-973343", "formation_energy_per_atom": -0.2564132479166667, "band_gap": 0, "pretty_formula": "Li2MgHg", "e_above_hull": 0.0223121849999998, "elements": "['Li', 'Mg', 'Hg']", "spacegroup.number": 225 } }
[ [ 0, 0.5, 0.752471 ], [ 0.5, 0, 0.247529 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.628026 ], [ 0, 0.5, 0.371974 ] ]
[ 72, 72, 14, 14, 34, 34 ]
[ [ 3.588297, 0, 2.197198217720025e-16 ], [ -2.197198217720025e-16, 3.588297, 2.197198217720025e-16 ], [ 0, 0, 8.595715 ] ]
{ "object": { "material_id": "mp-13962", "formation_energy_per_atom": -1.1331585907812496, "band_gap": 0, "pretty_formula": "HfSiSe", "e_above_hull": 0, "elements": "['Hf', 'Si', 'Se']", "spacegroup.number": 129 } }
[ [ 0.994641, 0.005359, 0 ], [ 0.614335, 0.385665, 0.5 ], [ 0.450179, 0.844155, 0.5 ], [ 0.155845, 0.549821, 0.5 ] ]
[ 70, 28, 6, 6 ]
[ [ 3.7575675, 0, 2.300846505727561e-16 ], [ -1.045660257185654, 3.609142300270063, 2.300846505727561e-16 ], [ 0, 0, 3.549466 ] ]
{ "object": { "material_id": "mp-1064469", "formation_energy_per_atom": -0.3124690824999989, "band_gap": 0, "pretty_formula": "YbNiC2", "e_above_hull": 0, "elements": "['C', 'Ni', 'Yb']", "spacegroup.number": 38 } }
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
[ 31, 27, 27, 28 ]
[ [ 3.515963, 0, 2.1529064169352627e-16 ], [ -2.1529064169352627e-16, 3.515963, 2.1529064169352627e-16 ], [ 0, 0, 3.749195 ] ]
{ "object": { "material_id": "mp-20551", "formation_energy_per_atom": -0.1284631193749996, "band_gap": 0, "pretty_formula": "GaCo2Ni", "e_above_hull": 0.0796497619230764, "elements": "['Ga', 'Co', 'Ni']", "spacegroup.number": 123 } }
[ [ 0.778208, 0.778208, 0.112692 ], [ 0.221792, 0.221792, 0.887308 ], [ 0.362164, 0.362164, 0.269006 ], [ 0.637836, 0.637836, 0.730994 ], [ 0.010487, 0.010487, 0.232521 ], [ 0.989513, 0.989513, 0.767479 ], [ 0.109887, ...
[ 66, 66, 42, 42, 17, 17, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 6.137719152061447, 0, 1.5298739823165681 ], [ 1.76107659680558, 5.879643323345861, 1.5298739823165681 ], [ 0, 0, 6.92707238 ] ]
{ "object": { "material_id": "mp-555683", "formation_energy_per_atom": -2.688517430714287, "band_gap": 2.8909, "pretty_formula": "DyMoClO4", "e_above_hull": 0, "elements": "['Cl', 'Dy', 'Mo', 'O']", "spacegroup.number": 12 } }
[ [ 0.25, 0.264586, 0.921312 ], [ 0.25, 0.235414, 0.421312 ], [ 0.75, 0.735414, 0.078688 ], [ 0.75, 0.764586, 0.578688 ], [ 0.25, 0.464969, 0.666411 ], [ 0.25, 0.035031, 0.166411 ], [ 0.75, 0.535031, 0.333589 ...
[ 67, 67, 67, 67, 34, 34, 34, 34, 9, 9, 9, 9 ]
[ [ 4.10105, 0, 2.511168877821626e-16 ], [ -3.875001071955873e-16, 6.328357, 3.875001071955873e-16 ], [ 0, 0, 9.976747 ] ]
{ "object": { "material_id": "mp-1095263", "formation_energy_per_atom": -3.183647514114584, "band_gap": 0.0786, "pretty_formula": "HoSeF", "e_above_hull": 0.0020506013888867, "elements": "['F', 'Ho', 'Se']", "spacegroup.number": 62 } }
[ [ 0.25, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0.625352, 0.625352, 0.123943 ], [ 0.625352, 0.123943, 0.625352 ], [ 0.123943, 0.625352, 0.625352 ], [ 0.625352, 0.625352, 0.625352 ] ]
[ 20, 66, 13, 13, 13, 13 ]
[ [ 4.849824351740881, 0, 2.8000473950000004 ], [ 1.6166081172469604, 4.572458248906171, 2.8000473950000004 ], [ 0, 0, 5.60009479 ] ]
{ "object": { "material_id": "mp-1227230", "formation_energy_per_atom": -0.4015619916666668, "band_gap": 0, "pretty_formula": "CaDyAl4", "e_above_hull": 0.0207862033333325, "elements": "['Al', 'Ca', 'Dy']", "spacegroup.number": 216 } }
[ [ 0, 0, 0 ], [ 0.624224, 0.624224, 0.127327 ], [ 0.624224, 0.127327, 0.624224 ], [ 0.127327, 0.624224, 0.624224 ], [ 0.624224, 0.624224, 0.624224 ], [ 0.25, 0.25, 0.25 ] ]
[ 68, 29, 29, 29, 29, 47 ]
[ [ 4.354440768735981, 0, 2.5140375500000003 ], [ 1.451480256245327, 4.105406127797833, 2.5140375500000003 ], [ 0, 0, 5.0280751 ] ]
{ "object": { "material_id": "mp-1077498", "formation_energy_per_atom": -0.2440599094444445, "band_gap": 0, "pretty_formula": "ErCu4Ag", "e_above_hull": 0, "elements": "['Ag', 'Cu', 'Er']", "spacegroup.number": 216 } }
[ [ 0.75, 0.749498, 0.386157 ], [ 0.25, 0.750502, 0.886157 ], [ 0.25, 0.250502, 0.613843 ], [ 0.75, 0.249498, 0.113843 ], [ 0.25, 0.527557, 0.167329 ], [ 0.25, 0.142728, 0.929389 ], [ 0.75, 0.472443, 0.832671 ...
[ 56, 56, 56, 56, 9, 9, 9, 9, 9, 9, 9, 9 ]
[ [ 4.110461, 0, 2.5169314533350143e-16 ], [ -4.163531531775387e-16, 6.799563, 4.163531531775387e-16 ], [ 0, 0, 8.045577 ] ]
{ "object": { "material_id": "mp-555585", "formation_energy_per_atom": -4.123802876666666, "band_gap": 6.855300000000001, "pretty_formula": "BaF2", "e_above_hull": 0.0401731783333332, "elements": "['Ba', 'F']", "spacegroup.number": 62 } }
[ [ 0.457899, 0.542101, 0.25 ], [ 0.542101, 0.457899, 0.75 ], [ 0, 0, 0 ], [ 0, 0, 0.5 ], [ 0.21039, 0.252198, 0.380545 ], [ 0.747802, 0.78961, 0.119455 ], [ 0.78961, 0.747802, 0.619455 ], [ 0.252198, ...
[ 20, 20, 24, 24, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]
[ [ 5.269345641564016, 0, 1.929779941030146 ], [ 1.1668846295656232, 5.138519607002895, 1.929779941030146 ], [ 0, 0, 7.68024469 ] ]
{ "object": { "material_id": "mp-556748", "formation_energy_per_atom": -3.563615006071428, "band_gap": 3.244, "pretty_formula": "CaCrF5", "e_above_hull": 0, "elements": "['Ca', 'Cr', 'F']", "spacegroup.number": 15 } }
[ [ 0, 0, 0 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
[ 69, 1, 1 ]
[ [ 3.114477217658341, 0, 1.7981442600000004 ], [ 1.0381590725527805, 2.936357280609632, 1.7981442600000004 ], [ 0, 0, 3.59628852 ] ]
{ "object": { "material_id": "mp-24727", "formation_energy_per_atom": -0.8041063322222227, "band_gap": 0, "pretty_formula": "TmH2", "e_above_hull": 0, "elements": "['H', 'Tm']", "spacegroup.number": 225 } }
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.473506, 0.75, 0.026494 ], [ 0.75, 0.026494, 0.473506 ], [ 0.973506, 0.526494, 0.25 ], [ 0.526494, 0.25, 0.973506...
[ 12, 12, 6, 6, 8, 8, 8, 8, 8, 8 ]
[ [ 4.283030845690086, 0, 3.8286505608353036 ], [ 1.7128828355681247, 3.92560640114987, 3.8286505608353036 ], [ 0, 0, 5.74481614 ] ]
{ "object": { "material_id": "mp-5348", "formation_energy_per_atom": -2.4489090569999994, "band_gap": 4.9978, "pretty_formula": "MgCO3", "e_above_hull": 0, "elements": "['Mg', 'C', 'O']", "spacegroup.number": 167 } }
[ [ 0, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ] ]
[ 3, 3, 31, 31 ]
[ [ 3.8324937011041045, 0, 2.2126912700000005 ], [ 1.277497900368035, 3.6133097132072556, 2.2126912700000005 ], [ 0, 0, 4.42538254 ] ]
{ "object": { "material_id": "mp-1307", "formation_energy_per_atom": -0.3152172379166669, "band_gap": 0, "pretty_formula": "LiGa", "e_above_hull": 0, "elements": "['Li', 'Ga']", "spacegroup.number": 227 } }
[ [ 0.25, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0.625, 0.625, 0.125 ], [ 0.625, 0.125, 0.625 ], [ 0.125, 0.625, 0.625 ], [ 0.625, 0.625, 0.625 ] ]
[ 66, 66, 28, 28, 28, 28 ]
[ [ 4.390993276158592, 0, 2.5351411500000003 ], [ 1.4636644253861975, 4.139868162288367, 2.5351411500000003 ], [ 0, 0, 5.0702823 ] ]
{ "object": { "material_id": "mp-421", "formation_energy_per_atom": -0.4493358683333331, "band_gap": 0, "pretty_formula": "DyNi2", "e_above_hull": 0, "elements": "['Dy', 'Ni']", "spacegroup.number": 227 } }
[ [ 0.510054, 0.510054, 0.749354 ], [ 0.490238, 0.490238, 0.250465 ], [ 0.135289, 0.135289, 0.932813 ], [ 0.864786, 0.864786, 0.067126 ], [ 0.315878, 0.684074, 0.00008 ], [ 0.684074, 0.315878, 0.00008 ], [ 0.996936, ...
[ 57, 57, 57, 57, 5, 5, 5, 5, 53, 53, 53, 53, 53 ]
[ [ 9.51222371825541, 0, 3.077461521755628 ], [ 8.512630103322607, 4.244705972166564, 3.077461521755628 ], [ 0, 0, 10.4551073 ] ]
{ "object": { "material_id": "mp-1223076", "formation_energy_per_atom": -1.2836859985897429, "band_gap": 0, "pretty_formula": "La4B4I5", "e_above_hull": 0, "elements": "['B', 'I', 'La']", "spacegroup.number": 8 } }
[ [ 0.580085, 0.919915, 0.25 ], [ 0.25, 0.580085, 0.919915 ], [ 0.919915, 0.25, 0.580085 ], [ 0.080085, 0.75, 0.419915 ], [ 0.75, 0.419915, 0.080085 ], [ 0.419915, 0.080085, 0.75 ], [ 0.837732, 0.837732, 0.8377...
[ 22, 22, 22, 22, 22, 22, 8, 8, 8, 8 ]
[ [ 4.598348286979676, 0, 3.5205016331947756 ], [ 1.7384992871727079, 4.25704442035421, 3.5205016331947756 ], [ 0, 0, 5.79126436 ] ]
{ "object": { "material_id": "mp-978968", "formation_energy_per_atom": -2.3526132520000003, "band_gap": 0, "pretty_formula": "Ti3O2", "e_above_hull": 0.0318909239999918, "elements": "['O', 'Ti']", "spacegroup.number": 167 } }
[ [ 0.493471, 0.052137, 0.25 ], [ 0.50653, 0.947863, 0.749999 ], [ 0.010822, 0.551017, 0.25 ], [ 0.989178, 0.448983, 0.750001 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ],...
[ 25, 25, 25, 25, 23, 23, 23, 23, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 5.191411319699313, 0, -0.00005587475457817308 ], [ -0.017858137238014635, 5.314784505481036, -0.000151458325694703 ], [ 0, 0, 7.602011 ] ]
{ "object": { "material_id": "mp-1106224", "formation_energy_per_atom": -2.2847561460862083, "band_gap": 0.3158000000000003, "pretty_formula": "MnVO3", "e_above_hull": 0.0340148151071382, "elements": "['Mn', 'O', 'V']", "spacegroup.number": 62 } }
[ [ 0.260822, 0.739178, 0.25 ], [ 0.739178, 0.260822, 0.75 ], [ 0.657809, 0.342191, 0.431015 ], [ 0.342191, 0.657809, 0.568985 ], [ 0.095262, 0.904738, 0.75 ], [ 0.904738, 0.095262, 0.25 ], [ 0.657809, 0.342191, ...
[ 94, 94, 53, 53, 53, 53, 53, 53 ]
[ [ 8.18202611, 0, 5.010046043075785e-16 ], [ -7.080760823489195, 4.099802120256826, 5.010046043075785e-16 ], [ 0, 0, 10.010618 ] ]
{ "object": { "material_id": "mp-27978", "formation_energy_per_atom": -1.3924140850000004, "band_gap": 0, "pretty_formula": "PuI3", "e_above_hull": 0, "elements": "['I', 'Pu']", "spacegroup.number": 63 } }
[ [ 0, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ] ]
[ 62, 47, 47, 47 ]
[ [ 4.312003358887035, 0, 2.4895363000000006 ], [ 1.437334452962345, 4.065395754090923, 2.4895363000000006 ], [ 0, 0, 4.9790726 ] ]
{ "object": { "material_id": "mp-862736", "formation_energy_per_atom": -0.2061999537499996, "band_gap": 0, "pretty_formula": "SmAg3", "e_above_hull": 0.0336277024324327, "elements": "['Ag', 'Sm']", "spacegroup.number": 225 } }
[ [ 0.065719, 0.243688, 0.026068 ], [ 0.594795, 0.405205, 0.25 ], [ 0.243688, 0.065719, 0.526068 ], [ 0.756312, 0.934281, 0.473932 ], [ 0.934281, 0.756312, 0.973932 ], [ 0.405205, 0.594795, 0.75 ], [ 0.731825, 0.26...
[ 19, 19, 19, 19, 19, 19, 3, 3, 77, 77, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 7.2006126868549645, 0, 1.3136289334709805 ], [ 0.46820085922709537, 7.185374800350757, 1.3136289334709805 ], [ 0, 0, 5.99232187 ] ]
{ "object": { "material_id": "mp-561288", "formation_energy_per_atom": -1.6526840547037038, "band_gap": 0, "pretty_formula": "K3LiIrO4", "e_above_hull": 0, "elements": "['Ir', 'K', 'Li', 'O']", "spacegroup.number": 15 } }
[ [ 0.498295, 0.007505, 0.24934 ], [ 0.000409, 0.508552, 0.745417 ], [ 0.997983, 0.499548, 0.251493 ], [ 0.508675, 0.582482, 0.967037 ], [ 0.496467, 0.567289, 0.474818 ], [ 0.999243, 0.065051, 0.465689 ], [ 0.001137, ...
[ 3, 3, 3, 41, 41, 41, 52, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 5.208198780299961, 0, -0.020721063727551933 ], [ -0.002652025206859837, 5.490199618013515, -0.44916352831856293 ], [ 0, 0, 7.64053817 ] ]
{ "object": { "material_id": "mp-756755", "formation_energy_per_atom": -2.580738767368421, "band_gap": 2.1375, "pretty_formula": "Li3Nb3TeO12", "e_above_hull": 0.0201300448684271, "elements": "['Li', 'Nb', 'O', 'Te']", "spacegroup.number": 1 } }
[ [ 0, 0.5, 0.5 ], [ 0.086334, 0.956833, 0.776663 ], [ 0.913666, 0.043167, 0.223337 ], [ 0.641625, 0.679187, 0.424309 ], [ 0.358375, 0.320813, 0.575691 ], [ 0.803808, 0.598097, 0.971329 ], [ 0.196192, 0.401903, ...
[ 25, 25, 25, 25, 25, 25, 25, 25, 25, 26, 26, 7, 7, 7, 7, 7, 7, 7, 7 ]
[ [ 7.142738965325528, 0, 2.143168800121116 ], [ 1.1664029375188039, 3.911794976046719, -4.702113920494456e-8 ], [ 0, 0, 6.49437502 ] ]
{ "object": { "material_id": "mp-1246116", "formation_energy_per_atom": -0.3517046111252284, "band_gap": 0, "pretty_formula": "Mn9(FeN4)2", "e_above_hull": 0.0643925548684212, "elements": "['Fe', 'Mn', 'N']", "spacegroup.number": 12 } }
[ [ 0, 0, 0.5 ], [ 0.6666666666666666, 0.3333333333333333, 0.5 ], [ 0.3333333333333333, 0.6666666666666666, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0 ] ]
[ 65, 5, 5, 77, 77, 77 ]
[ [ 5.47488792, 0, 3.352401983459255e-16 ], [ -2.737443881384744, 4.741392066981083, 3.352401983459255e-16 ], [ 0, 0, 3.159543 ] ]
{ "object": { "material_id": "mp-1025075", "formation_energy_per_atom": -0.6916555047222227, "band_gap": 0, "pretty_formula": "TbB2Ir3", "e_above_hull": 0, "elements": "['Tb', 'B', 'Ir']", "spacegroup.number": 191 } }
[ [ 0.25, 0.201371, 0.394004 ], [ 0.75, 0.798629, 0.605996 ], [ 0, 0, 0 ], [ 0.5, 0, 0 ], [ 0.972688, 0.279386, 0.697582 ], [ 0.472688, 0.720614, 0.302418 ], [ 0.527312, 0.279386, 0.697582 ], [ 0.027312...
[ 37, 37, 34, 34, 35, 35, 35, 35, 35, 35 ]
[ [ 9.228333, 0, 5.650724234957945e-16 ], [ -3.4753542091308176e-16, 5.6756841426450375, 0.6894579875356134 ], [ 0, 0, 7.49085663 ] ]
{ "object": { "material_id": "mp-998299", "formation_energy_per_atom": -1.0957971964687498, "band_gap": 1.3016, "pretty_formula": "RbSeBr3", "e_above_hull": 0.0507242068906252, "elements": "['Br', 'Rb', 'Se']", "spacegroup.number": 11 } }
[ [ 0, 0.75, 0.195064 ], [ 0, 0.25, 0.804936 ], [ 0.5, 0.75, 0.68681 ], [ 0.5, 0.25, 0.31319 ] ]
[ 41, 41, 45, 45 ]
[ [ 2.840017, 0, 1.7390088642870344e-16 ], [ -2.8172754685025027e-16, 4.60096, 2.8172754685025027e-16 ], [ 0, 0, 4.939123 ] ]
{ "object": { "material_id": "mp-11515", "formation_energy_per_atom": -0.3779667025000002, "band_gap": 0, "pretty_formula": "NbRh", "e_above_hull": 0.0233463374999995, "elements": "['Nb', 'Rh']", "spacegroup.number": 51 } }
[ [ 0, 0, 0 ], [ 0, 0, 0.5 ], [ 0.3333333333333333, 0.6666666666666666, 0.266347 ], [ 0.6666666666666666, 0.3333333333333333, 0.733653 ], [ 0.168428, 0.831572, 0.336504 ], [ 0.831572, 0.168428, 0.663496 ], [ 0.168428, ...
[ 37, 69, 74, 74, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 6.0895572, 0, 3.728778366602359e-16 ], [ -3.0447777982999935, 5.273711695860069, 3.728778366602359e-16 ], [ 0, 0, 8.062671 ] ]
{ "object": { "material_id": "mp-1209122", "formation_energy_per_atom": -2.642876993680556, "band_gap": 4.7609, "pretty_formula": "RbTm(WO4)2", "e_above_hull": 0.0353826020833327, "elements": "['O', 'Rb', 'Tm', 'W']", "spacegroup.number": 164 } }
[ [ 0.25, 0.582664, 0.858558 ], [ 0.75, 0.417336, 0.141442 ], [ 0.75, 0.917336, 0.358558 ], [ 0.25, 0.082664, 0.641442 ], [ 0.25, 0.918438, 0.097397 ], [ 0.75, 0.081562, 0.902603 ], [ 0.75, 0.581562, 0.597397 ...
[ 92, 92, 92, 92, 25, 25, 25, 25, 6, 6, 6, 6, 6, 6, 6, 6 ]
[ [ 3.187135, 0, 1.9515573381002497e-16 ], [ -3.3162075962963273e-16, 5.415778, 3.3162075962963273e-16 ], [ 0, 0, 10.591579 ] ]
{ "object": { "material_id": "mp-1207882", "formation_energy_per_atom": -0.1358790194827595, "band_gap": 0, "pretty_formula": "UMnC2", "e_above_hull": 0, "elements": "['C', 'Mn', 'U']", "spacegroup.number": 62 } }
[ [ 0.004451, 0.004451, 0.004451 ], [ 0.501816, 0.501816, 0.501816 ], [ 0.436303, 0.867127, 0.436303 ], [ 0.867127, 0.436303, 0.436303 ], [ 0.436303, 0.436303, 0.867127 ] ]
[ 81, 35, 8, 8, 8 ]
[ [ 4.609616949131774, 0, 0.43440097409689077 ], [ 0.3953883164921111, 4.5926284954157195, 0.43440097409689077 ], [ 0, 0, 4.63004077 ] ]
{ "object": { "material_id": "mp-29798", "formation_energy_per_atom": -0.6440469971666672, "band_gap": 3.659, "pretty_formula": "TlBrO3", "e_above_hull": 0.0072877472500003, "elements": "['Br', 'O', 'Tl']", "spacegroup.number": 160 } }
[ [ 0.3333333333333333, 0.6666666666666666, 0.75 ], [ 0.6666666666666666, 0.3333333333333333, 0.25 ], [ 0.167426, 0.334852, 0.25 ], [ 0.665148, 0.832574, 0.25 ], [ 0.167426, 0.832574, 0.25 ], [ 0.832574, 0.665148, 0.75 ], ...
[ 75, 75, 77, 77, 77, 77, 77, 77 ]
[ [ 5.53935462, 0, 3.3918764523625514e-16 ], [ -2.7696779295821132, 4.797221463774743, 3.3918764523625514e-16 ], [ 0, 0, 4.398325 ] ]
{ "object": { "material_id": "mp-867792", "formation_energy_per_atom": -0.1522747200000012, "band_gap": 0, "pretty_formula": "ReIr3", "e_above_hull": 0, "elements": "['Re', 'Ir']", "spacegroup.number": 194 } }
[ [ 0.5, 0.372267, 0.291013 ], [ 0, 0.873419, 0.785676 ], [ 0, 0.126581, 0.214324 ], [ 0.5, 0.627733, 0.708987 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0.857607, 0.33183 ], [...
[ 28, 28, 28, 28, 28, 28, 28, 50, 50, 50, 50, 50, 50, 50, 50 ]
[ [ 4.088433, 0, 2.5034431934892056e-16 ], [ -3.161874984227025e-16, 5.163733717229238, 0.9915250566221402 ], [ 0, 0, 12.462159 ] ]
{ "object": { "material_id": "mp-1219822", "formation_energy_per_atom": -0.227432516666667, "band_gap": 0, "pretty_formula": "Ni7Sn8", "e_above_hull": 0.0048707257142863, "elements": "['Ni', 'Sn']", "spacegroup.number": 10 } }
[ [ 0.397078, 0.602922, 0.922549 ], [ 0.602922, 0.397078, 0.422549 ], [ 0.299189, 0.08772, 0.967835 ], [ 0.700811, 0.91228, 0.467835 ], [ 0.91228, 0.700811, 0.967835 ], [ 0.08772, 0.299189, 0.467835 ], [ 0.192519, ...
[ 64, 64, 64, 64, 64, 64, 31, 31, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 7.26250884, 0, 4.447004102342679e-16 ], [ -1.6166542888610633, 7.080286968858344, 4.447004102342679e-16 ], [ 0, 0, 5.518642 ] ]
{ "object": { "material_id": "mp-3594", "formation_energy_per_atom": -3.51432022075, "band_gap": 2.9703000000000004, "pretty_formula": "Gd3GaO6", "e_above_hull": 0, "elements": "['Ga', 'Gd', 'O']", "spacegroup.number": 36 } }
[ [ 0, 0, 0.311931 ], [ 0, 0, 0.688069 ], [ 0, 0.5, 0.125362 ], [ 0, 0.5, 0.874638 ], [ 0.5, 0, 0.125362 ], [ 0.5, 0, 0.874638 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0....
[ 21, 21, 31, 31, 31, 31, 31, 31, 31, 31, 28 ]
[ [ 4.190535, 0, 2.5659626372324766e-16 ], [ -2.5659626372324766e-16, 4.190535, 2.5659626372324766e-16 ], [ 0, 0, 10.595381 ] ]
{ "object": { "material_id": "mp-1208973", "formation_energy_per_atom": -0.4660835309090911, "band_gap": 0, "pretty_formula": "Sc2Ga8Ni", "e_above_hull": 0.0026552854545434, "elements": "['Ga', 'Ni', 'Sc']", "spacegroup.number": 123 } }
[ [ 0.917328, 0.302272, 0.245254 ], [ 0.302272, 0.917328, 0.754746 ], [ 0.917328, 0.302272, 0.754746 ], [ 0.302272, 0.917328, 0.245254 ], [ 0.624993, 0.624993, 0.5 ], [ 0.561186, 0.561186, 0 ], [ 0.602366, 0.921906...
[ 3, 3, 3, 3, 3, 15, 16, 16, 16, 16, 17, 17 ]
[ [ 6.05015523, 0, 3.704651618382059e-16 ], [ -3.0512499885818136, 5.224390090170893, 3.704651618382059e-16 ], [ 0, 0, 7.21209 ] ]
{ "object": { "material_id": "mp-1040450", "formation_energy_per_atom": -1.4856022960416666, "band_gap": 2.7793, "pretty_formula": "Li5P(S2Cl)2", "e_above_hull": 0.0189315122916662, "elements": "['Cl', 'Li', 'P', 'S']", "spacegroup.number": 38 } }
[ [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
[ 12, 12, 45, 79 ]
[ [ 3.9200923525622353, 0, 2.2632663750000006 ], [ 1.3066974508540785, 3.695898513832377, 2.2632663750000006 ], [ 0, 0, 4.52653275 ] ]
{ "object": { "material_id": "mp-864965", "formation_energy_per_atom": -0.5519820700000002, "band_gap": 0, "pretty_formula": "Mg2RhAu", "e_above_hull": 0, "elements": "['Mg', 'Rh', 'Au']", "spacegroup.number": 225 } }
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
[ 67, 71, 48, 48 ]
[ [ 4.539161692395882, 0, 2.6206862250000005 ], [ 1.513053897465294, 4.279562684793778, 2.6206862250000005 ], [ 0, 0, 5.24137245 ] ]
{ "object": { "material_id": "mp-973276", "formation_energy_per_atom": -0.3058559399999994, "band_gap": 0, "pretty_formula": "HoLuCd2", "e_above_hull": 0.0054094275, "elements": "['Ho', 'Lu', 'Cd']", "spacegroup.number": 225 } }
[ [ 0.29218, 0.29218, 0.30766 ], [ 0.597631, 0.597631, 0.296292 ], [ 0.398357, 0.398357, 0.719574 ], [ 0.699845, 0.699845, 0.722294 ], [ 0.867631, 0.867631, 0.68966 ], [ 0.756937, 0.756937, 0.3566 ], [ 0.640126, 0....
[ 25, 23, 23, 23, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 6.068635064524684, 0, 1.728432950895761 ], [ 4.8737497190332375, 3.615922458046073, 1.728432950895761 ], [ 0, 0, 6.63740217 ] ]
{ "object": { "material_id": "mp-756087", "formation_energy_per_atom": -2.3127409456609187, "band_gap": 0, "pretty_formula": "MnV3O8", "e_above_hull": 0.0565945466666679, "elements": "['Mn', 'O', 'V']", "spacegroup.number": 8 } }
[ [ 0.381411, 0.381411, 0.381411 ], [ 0.870894, 0.870894, 0.870894 ], [ 0.627573, 0.627573, 0.627573 ], [ 0.498898, 0.498898, 0.498898 ], [ 0.249745, 0.249745, 0.249745 ], [ 0.000026, 0.000026, 0.000026 ], [ 0.746452, ...
[ 32, 51, 51, 52, 52, 52, 52 ]
[ [ 4.238450074397549, 0, 14.45340301227751 ], [ 2.0755241130728774, 3.695491670835375, 14.45340301227751 ], [ 0, 0, 15.06204967 ] ]
{ "object": { "material_id": "mp-1224348", "formation_energy_per_atom": -0.3496500435714281, "band_gap": 0.2354000000000002, "pretty_formula": "Ge(SbTe2)2", "e_above_hull": 0.010701081428571, "elements": "['Ge', 'Sb', 'Te']", "spacegroup.number": 160 } }
[ [ 0.743279, 0.2548, 0.494308 ], [ 0.434957, 0.587422, 0.496192 ], [ 0.587422, 0.434957, 0.996192 ], [ 0.2548, 0.743279, 0.994308 ], [ 0.099699, 0.918893, 0.489487 ], [ 0.918893, 0.099699, 0.989487 ], [ 0.687827, ...
[ 3, 3, 3, 3, 83, 83, 8, 8, 8, 8, 8, 8 ]
[ [ 5.439188924742555, 0, 1.0047738092540293 ], [ -2.9376607500641723, 4.5776550193930605, 1.0047738092540293 ], [ 0, 0, 5.66549313 ] ]
{ "object": { "material_id": "mp-769002", "formation_energy_per_atom": -1.8385283244444448, "band_gap": 0, "pretty_formula": "Li2BiO3", "e_above_hull": 0.0319680377083306, "elements": "['Bi', 'Li', 'O']", "spacegroup.number": 9 } }
[ [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
[ 57, 57, 12, 81 ]
[ [ 4.870588670456497, 0, 2.8120356800000006 ], [ 1.6235295568188326, 4.592035036333546, 2.8120356800000006 ], [ 0, 0, 5.62407136 ] ]
{ "object": { "material_id": "mp-977187", "formation_energy_per_atom": -0.2752516808333332, "band_gap": 0, "pretty_formula": "La2MgTl", "e_above_hull": 0.0105679086111107, "elements": "['La', 'Mg', 'Tl']", "spacegroup.number": 225 } }
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ] ]
[ 31, 26, 77, 77 ]
[ [ 3.679474070362435, 0, 2.1243453450000005 ], [ 1.2264913567874784, 3.469041421804461, 2.1243453450000005 ], [ 0, 0, 4.24869069 ] ]
{ "object": { "material_id": "mp-865247", "formation_energy_per_atom": -0.2279867968750002, "band_gap": 0, "pretty_formula": "GaFeIr2", "e_above_hull": 0, "elements": "['Fe', 'Ga', 'Ir']", "spacegroup.number": 225 } }
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ] ]
[ 70, 62, 46, 46 ]
[ [ 4.327356759540059, 0, 2.4984005900000006 ], [ 1.44245225318002, 4.079871079045627, 2.4984005900000006 ], [ 0, 0, 4.99680118 ] ]
{ "object": { "material_id": "mp-980068", "formation_energy_per_atom": -0.8524450662499996, "band_gap": 0, "pretty_formula": "YbSmPd2", "e_above_hull": 0.0050133912500003, "elements": "['Yb', 'Sm', 'Pd']", "spacegroup.number": 225 } }
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ] ]
[ 89, 59, 12, 12 ]
[ [ 4.910250815296476, 0, 2.8349346300000002 ], [ 1.6367502717654923, 4.629428865097216, 2.8349346300000002 ], [ 0, 0, 5.66986926 ] ]
{ "object": { "material_id": "mp-1183181", "formation_energy_per_atom": -0.0759924193749999, "band_gap": 0, "pretty_formula": "AcPrMg2", "e_above_hull": 0.0178661049999999, "elements": "['Ac', 'Mg', 'Pr']", "spacegroup.number": 225 } }