position
listlengths
1
20
node_class
listlengths
1
20
unitcell
listlengths
3
3
labels
dict
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.715806, 0.13959 ], [ 0.5, 0.284194, 0.86041 ], [ 0, 0.784194, 0.63959 ], [ 0, 0.215806, 0.36041 ] ]
[ 28, 28, 51, 51, 51, 51 ]
[ [ 3.803481, 0, 2.328960416133887e-16 ], [ -3.2762669655889354e-16, 5.35055, 3.2762669655889354e-16 ], [ 0, 0, 6.313845 ] ]
{ "object": { "material_id": "mp-19895", "formation_energy_per_atom": -0.3253133566666666, "band_gap": 0, "pretty_formula": "NiSb2", "e_above_hull": 0, "elements": "['Ni', 'Sb']", "spacegroup.number": 58 } }
[ [ 0, 0.209328, 0.415212 ], [ 0, 0.790672, 0.584788 ], [ 0, 0.209328, 0.084788 ], [ 0, 0.790672, 0.915212 ], [ 0.5, 0.2293, 0.75 ], [ 0.5, 0.7707, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0.5, 0.5 ], ...
[ 47, 47, 47, 47, 80, 80, 80, 80, 16, 16, 16, 16, 35, 35, 35, 35 ]
[ [ 4.677544, 0, 2.8641696437354537e-16 ], [ -6.00364417418303e-16, 9.804695, 6.00364417418303e-16 ], [ 0, 0, 9.963082 ] ]
{ "object": { "material_id": "mp-560067", "formation_energy_per_atom": -0.548633564322917, "band_gap": 1.9335, "pretty_formula": "AgHgSBr", "e_above_hull": 0, "elements": "['Ag', 'Br', 'Hg', 'S']", "spacegroup.number": 51 } }
[ [ 0.6666666666666666, 0.3333333333333333, 0 ], [ 0.3333333333333333, 0.6666666666666666, 0 ], [ 0.3333333333333333, 0.6666666666666666, 0.5 ], [ 0.6666666666666666, 0.3333333333333333, 0.5 ], [ 0.737993, 0.737993, 0.75 ], [ 0.262007...
[ 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 50, 50, 50, 50, 50, 50, 33, 33 ]
[ [ 8.70251829, 0, 5.328755584184899e-16 ], [ -4.351259435700124, 7.53660174820291, 5.328755584184899e-16 ], [ 0, 0, 5.96204 ] ]
{ "object": { "material_id": "mp-1188640", "formation_energy_per_atom": -0.7740760138888889, "band_gap": 0, "pretty_formula": "Zr5Sn3As", "e_above_hull": 0, "elements": "['As', 'Sn', 'Zr']", "spacegroup.number": 193 } }
[ [ 0, 0, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0.6666666666666666, 0.3333333333333333, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.3333333333333333, 0.6666666666666666, 0 ] ]
[ 57, 29, 29, 29, 29, 29 ]
[ [ 5.16015088, 0, 3.159681129154699e-16 ], [ -2.5800763166710934, 4.46882124329422, 3.159681129154699e-16 ], [ 0, 0, 4.137562 ] ]
{ "object": { "material_id": "mp-2613", "formation_energy_per_atom": -0.1491183808333337, "band_gap": 0, "pretty_formula": "LaCu5", "e_above_hull": 0, "elements": "['Cu', 'La']", "spacegroup.number": 191 } }
[ [ 0.105148, 0.678694, 0.581924 ], [ 0.321306, 0.894852, 0.918076 ], [ 0.894852, 0.321306, 0.418076 ], [ 0.678694, 0.105148, 0.081924 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0.910407, 0.089593, 0.75 ], [ ...
[ 92, 92, 92, 92, 27, 27, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]
[ [ 7.705697713676542, 0, 0.8680000690726246 ], [ 5.372390288959546, 5.524056465827721, 0.8680000690726246 ], [ 0, 0, 6.92124575 ] ]
{ "object": { "material_id": "mp-1188815", "formation_energy_per_atom": -1.418369464453125, "band_gap": 0, "pretty_formula": "U2CoS5", "e_above_hull": 0.0777077741015599, "elements": "['Co', 'S', 'U']", "spacegroup.number": 15 } }
[ [ 0.25, 0.035213, 0.323195 ], [ 0.25, 0.535213, 0.176805 ], [ 0.75, 0.964787, 0.676805 ], [ 0.75, 0.464787, 0.823195 ], [ 0.25, 0.142225, 0.936577 ], [ 0.25, 0.642225, 0.563423 ], [ 0.75, 0.857775, 0.063423 ...
[ 20, 20, 20, 20, 48, 48, 48, 48, 78, 78, 78, 78 ]
[ [ 4.325469, 0, 2.648585882830551e-16 ], [ -4.478879919526029e-16, 7.314566, 4.478879919526029e-16 ], [ 0, 0, 8.631427 ] ]
{ "object": { "material_id": "mp-1103046", "formation_energy_per_atom": -0.7195754258333332, "band_gap": 0, "pretty_formula": "CaCdPt", "e_above_hull": 0, "elements": "['Ca', 'Cd', 'Pt']", "spacegroup.number": 62 } }
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ] ]
[ 40, 13, 79, 79 ]
[ [ 4.080713962958578, 0, 2.3560013050000004 ], [ 1.3602379876528594, 3.8473340203875206, 2.3560013050000004 ], [ 0, 0, 4.71200261 ] ]
{ "object": { "material_id": "mp-864878", "formation_energy_per_atom": -0.5340977549999995, "band_gap": 0, "pretty_formula": "ZrAlAu2", "e_above_hull": 0, "elements": "['Zr', 'Al', 'Au']", "spacegroup.number": 225 } }
[ [ 0, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ] ]
[ 70, 47, 47, 47 ]
[ [ 4.240223510133922, 0, 2.4480941850000004 ], [ 1.4134078367113074, 3.9977210636830955, 2.4480941850000004 ], [ 0, 0, 4.89618837 ] ]
{ "object": { "material_id": "mp-1187821", "formation_energy_per_atom": -0.2767305900000001, "band_gap": 0, "pretty_formula": "YbAg3", "e_above_hull": 0.03133098125, "elements": "['Ag', 'Yb']", "spacegroup.number": 225 } }
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.342509, 0.342509, 0.002085 ], [ 0.292115, 0.292115, 0.34709 ], [ 0.707885, 0.707885, 0.65291 ], [ 0.657491, 0.657491, 0.997915 ], [ 0.426021, 0.426021, 0.173929 ], [ ...
[ 37, 22, 22, 22, 22, 22, 34, 34, 34, 34, 34, 34, 34, 34 ]
[ [ 9.37758980316337, 0, 2.418771963757122 ], [ 8.668040272839047, 3.578305233603475, 2.418771963757122 ], [ 0, 0, 9.23866926 ] ]
{ "object": { "material_id": "mp-975271", "formation_energy_per_atom": -1.4803727052083329, "band_gap": 0, "pretty_formula": "RbTi5Se8", "e_above_hull": 0, "elements": "['Rb', 'Se', 'Ti']", "spacegroup.number": 12 } }
[ [ 0.500432, 0.003712, 0.499637 ], [ 0.000432, 0.496288, 0.999637 ], [ 0.985226, 0.059079, 0.245383 ], [ 0.485226, 0.440921, 0.745383 ], [ 0.016433, 0.939853, 0.75421 ], [ 0.516433, 0.560147, 0.25421 ], [ 0.000157, ...
[ 20, 20, 20, 20, 60, 60, 44, 44, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 5.61089150810809, 0, -0.00596609527470213 ], [ -3.61321383661274e-16, 5.900826, 3.61321383661274e-16 ], [ 0, 0, 8.11438503 ] ]
{ "object": { "material_id": "mp-1227481", "formation_energy_per_atom": -2.8290860929999995, "band_gap": 0.4992999999999998, "pretty_formula": "Ca2NdRuO6", "e_above_hull": 0, "elements": "['Ca', 'Nd', 'O', 'Ru']", "spacegroup.number": 7 } }
[ [ 0.395844, 0.395844, 0.806623 ], [ 0.604156, 0.604156, 0.193377 ], [ 0.158935, 0.158935, 0.675388 ], [ 0.841065, 0.841065, 0.324612 ], [ 0, 0, 0 ], [ 0.251507, 0.251507, 0.261419 ], [ 0.748493, 0.748493, 0.7...
[ 58, 58, 42, 42, 6, 6, 6 ]
[ [ 5.763419849127417, 0, 2.5630515797942373 ], [ 4.786167700934168, 3.210857688507923, 2.5630515797942373 ], [ 0, 0, 5.78714582 ] ]
{ "object": { "material_id": "mp-13263", "formation_energy_per_atom": -0.2871596857142852, "band_gap": 0, "pretty_formula": "Ce2Mo2C3", "e_above_hull": 0, "elements": "['Ce', 'Mo', 'C']", "spacegroup.number": 12 } }
[ [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.745926, 0.254074, 0.254074 ], [ 0.254074, 0.254074, 0.745926 ], [ 0.254074, 0.745926, 0.745926 ], [ 0.254074, 0.7459...
[ 55, 55, 3, 60, 53, 53, 53, 53, 53, 53 ]
[ [ 7.504997747869515, 0, 4.333012470000001 ], [ 2.5016659159565053, 7.075779733744402, 4.333012470000001 ], [ 0, 0, 8.66602494 ] ]
{ "object": { "material_id": "mp-1113010", "formation_energy_per_atom": -1.6744313839195404, "band_gap": 2.9749, "pretty_formula": "Cs2LiNdI6", "e_above_hull": 0, "elements": "['Cs', 'I', 'Li', 'Nd']", "spacegroup.number": 225 } }
[ [ 0, 0.59671, 0.5 ], [ 0.40329, 0.40329, 0.5 ], [ 0.59671, 0, 0.5 ], [ 0.253, 0, 0 ], [ 0.747, 0.747, 0 ], [ 0, 0.253, 0 ], [ 0.6666666666666666, 0.3333333333333333, 0 ], [ 0.3333333333333333, 0.6...
[ 72, 72, 72, 42, 42, 42, 15, 15, 15 ]
[ [ 6.9314224, 0, 4.244272127849132e-16 ], [ -3.4657116012630134, 6.002787651091176, 4.244272127849132e-16 ], [ 0, 0, 3.41441 ] ]
{ "object": { "material_id": "mp-7032", "formation_energy_per_atom": -0.9682760555555552, "band_gap": 0, "pretty_formula": "HfMoP", "e_above_hull": 0, "elements": "['Hf', 'Mo', 'P']", "spacegroup.number": 189 } }
[ [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.661538, 0.661538, 0.012875 ], [ 0.338462, 0.338462, 0.987125 ], [ 0.705085, 0.705085, 0.66544 ], [ 0.294915, 0.294915, 0.33456 ], [ 0.425228, 0.425228, 0.152411 ], [ 0....
[ 55, 24, 24, 24, 24, 24, 16, 16, 16, 16, 16, 16, 16, 16 ]
[ [ 9.119895113817444, 0, 2.0650880580373885 ], [ 8.443402170467184, 3.4469474429966795, 2.0650880580373885 ], [ 0, 0, 8.91679287 ] ]
{ "object": { "material_id": "mp-1021518", "formation_energy_per_atom": -1.0476787487807877, "band_gap": 0.4197000000000006, "pretty_formula": "CsCr5S8", "e_above_hull": 0.040249105, "elements": "['Cr', 'Cs', 'S']", "spacegroup.number": 12 } }
[ [ 0.956409, 0.740325, 0.748657 ], [ 0.456409, 0.259675, 0.751343 ], [ 0.043591, 0.259675, 0.251343 ], [ 0.543591, 0.740325, 0.248657 ], [ 0.5, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0 ], [ 0, 0.5, ...
[ 38, 38, 38, 38, 62, 62, 41, 41, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 6.03565, 0, 3.6957697266368616e-16 ], [ -2.962309101707286e-16, 4.8378178978130855, 3.367545887167001 ], [ 0, 0, 10.24870961 ] ]
{ "object": { "material_id": "mp-8496", "formation_energy_per_atom": -3.4263266278333333, "band_gap": 3.1476999999999995, "pretty_formula": "Sr2SmNbO6", "e_above_hull": 0.0047544710625011, "elements": "['Nb', 'O', 'Sm', 'Sr']", "spacegroup.number": 14 } }
[ [ 0.570973, 0, 0 ], [ 0, 0.570973, 0 ], [ 0.429027, 0.429027, 0 ], [ 0.244098, 0, 0.5 ], [ 0, 0.244098, 0.5 ], [ 0.755902, 0.755902, 0.5 ], [ 0.3333333333333333, 0.6666666666666666, 0.5 ], [ 0.6666666...
[ 65, 65, 65, 12, 12, 12, 81, 81, 81 ]
[ [ 7.6042736, 0, 4.65627466204036e-16 ], [ -3.8021364000138216, 6.585494345859459, 4.65627466204036e-16 ], [ 0, 0, 4.688895 ] ]
{ "object": { "material_id": "mp-1206540", "formation_energy_per_atom": -0.3321900488888888, "band_gap": 0, "pretty_formula": "TbMgTl", "e_above_hull": 0, "elements": "['Mg', 'Tb', 'Tl']", "spacegroup.number": 189 } }
[ [ 0.220215, 0.244797, 0.25075 ], [ 0.779785, 0.244797, 0.75075 ], [ 0.299066, 0.761463, 0.751071 ], [ 0.700934, 0.761463, 0.251071 ], [ 0.756391, 0.499715, 0.001043 ], [ 0.243609, 0.499715, 0.501043 ], [ 0.752398, ...
[ 38, 38, 59, 59, 12, 12, 44, 44, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 5.678374, 0, 3.4770012717307764e-16 ], [ -2.8049162125251775e-16, 4.580775803240688, 3.2245288316486835 ], [ 0, 0, 9.69145064 ] ]
{ "object": { "material_id": "mp-1218058", "formation_energy_per_atom": -2.772565764666667, "band_gap": 0.3557000000000001, "pretty_formula": "SrPrMgRuO6", "e_above_hull": 0, "elements": "['Mg', 'O', 'Pr', 'Ru', 'Sr']", "spacegroup.number": 7 } }
[ [ 0, 0.5, 0.24939 ], [ 0.5, 0, 0.75061 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.874883 ], [ 0.5, 0, 0.125117 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0 ], [ 0, 0.5, 0.629883 ], ...
[ 38, 38, 13, 13, 13, 13, 79, 79, 79, 79 ]
[ [ 4.529498, 0, 2.7735176137221693e-16 ], [ -2.7735176137221693e-16, 4.529498, 2.7735176137221693e-16 ], [ 0, 0, 10.53904 ] ]
{ "object": { "material_id": "mp-1079278", "formation_energy_per_atom": -0.651976247333333, "band_gap": 0, "pretty_formula": "Sr(AlAu)2", "e_above_hull": 0, "elements": "['Al', 'Au', 'Sr']", "spacegroup.number": 129 } }
[ [ 0.25, 0.486605, 0.176441 ], [ 0.75, 0.513395, 0.823559 ], [ 0.25, 0.986605, 0.323559 ], [ 0.75, 0.013395, 0.676441 ], [ 0.75, 0.649141, 0.419376 ], [ 0.25, 0.350859, 0.580624 ], [ 0.75, 0.149141, 0.080624 ...
[ 67, 67, 67, 67, 67, 67, 67, 67, 79, 79, 79, 79 ]
[ [ 4.948295, 0, 3.029956816493426e-16 ], [ -4.337654875295156e-16, 7.083928, 4.337654875295156e-16 ], [ 0, 0, 8.916713 ] ]
{ "object": { "material_id": "mp-30385", "formation_energy_per_atom": -0.6435962741666668, "band_gap": 0, "pretty_formula": "Ho2Au", "e_above_hull": 0, "elements": "['Au', 'Ho']", "spacegroup.number": 62 } }
[ [ 0.75, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.125, 0.625, 0.125 ], [ 0.125, 0.125, 0.625 ], [ 0.625, 0.125, 0.125 ], [ 0.125, 0.125, 0.125 ] ]
[ 67, 67, 26, 26, 26, 26 ]
[ [ 4.432199821421649, 0, 2.5589317600000006 ], [ 1.4773999404738831, 4.178718065734737, 2.5589317600000006 ], [ 0, 0, 5.11786352 ] ]
{ "object": { "material_id": "mp-1926", "formation_energy_per_atom": -0.0997013450000009, "band_gap": 0, "pretty_formula": "HoFe2", "e_above_hull": 0, "elements": "['Ho', 'Fe']", "spacegroup.number": 227 } }
[ [ 0.903304, 0.096696, 0.75 ], [ 0.096696, 0.903304, 0.25 ], [ 0.692824, 0.307176, 0.75 ], [ 0.307176, 0.692824, 0.25 ], [ 0.041893, 0.958107, 0.75 ], [ 0.958107, 0.041893, 0.25 ], [ 0.457816, 0.542184, 0.75 ...
[ 58, 58, 58, 58, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52 ]
[ [ 21.81827759, 0, 1.3359841906750964e-15 ], [ -21.37111071589174, 4.394640345169742, 1.3359841906750964e-15 ], [ 0, 0, 4.417493 ] ]
{ "object": { "material_id": "mp-1104233", "formation_energy_per_atom": -1.749695362857143, "band_gap": 0, "pretty_formula": "Ce2Te5", "e_above_hull": 0, "elements": "['Ce', 'Te']", "spacegroup.number": 63 } }
[ [ 0.3333333333333333, 0.6666666666666666, 0.75 ], [ 0.6666666666666666, 0.3333333333333333, 0.25 ], [ 0.149882, 0.299763, 0.25 ], [ 0.700237, 0.850118, 0.25 ], [ 0.149882, 0.850118, 0.25 ], [ 0.850118, 0.700237, 0.75 ], ...
[ 56, 56, 81, 81, 81, 81, 81, 81 ]
[ [ 7.79493635, 0, 4.773021925292427e-16 ], [ -3.8974685237484428, 6.75061269863273, 4.773021925292427e-16 ], [ 0, 0, 5.268888 ] ]
{ "object": { "material_id": "mp-984725", "formation_energy_per_atom": -0.296118045, "band_gap": 0, "pretty_formula": "BaTl3", "e_above_hull": 0.0025836468750002, "elements": "['Ba', 'Tl']", "spacegroup.number": 194 } }
[ [ 0.51232, 0.94879, 0.245568 ], [ 0.01232, 0.55121, 0.745568 ], [ 0.999266, 0.99709, 0.499561 ], [ 0.499266, 0.50291, 0.999561 ], [ 0.487284, 0.05224, 0.754348 ], [ 0.987284, 0.44776, 0.254348 ], [ 0.499588, 0.50...
[ 20, 20, 20, 20, 57, 57, 73, 73, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 5.70567175901982, 0, -0.009282612011036556 ], [ -3.635626710007335e-16, 5.937429, 3.635626710007335e-16 ], [ 0, 0, 8.237483 ] ]
{ "object": { "material_id": "mp-1227477", "formation_energy_per_atom": -3.5929732615, "band_gap": 4.0074000000000005, "pretty_formula": "Ca2LaTaO6", "e_above_hull": 0, "elements": "['Ca', 'La', 'O', 'Ta']", "spacegroup.number": 7 } }
[ [ 0, 0.176482, 0.682078 ], [ 0, 0.823518, 0.317922 ], [ 0, 0.321762, 0.173885 ], [ 0, 0.678238, 0.826115 ], [ 0, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0, 0.625808, 0.12651 ], [ 0, 0.374192, 0.87349 ], ...
[ 22, 22, 22, 22, 26, 26, 5, 5, 5, 5, 44, 44, 44, 44, 44, 44, 45, 45, 45, 45 ]
[ [ 2.965445, 0, 1.8158113636487615e-16 ], [ -5.577271665298738e-16, 9.108375850378822, -0.027528379907880558 ], [ 0, 0, 9.15723041 ] ]
{ "object": { "material_id": "mp-1217246", "formation_energy_per_atom": -0.5126813135000006, "band_gap": 0, "pretty_formula": "Ti2FeB2Ru3Rh2", "e_above_hull": 0.0348967207916679, "elements": "['B', 'Fe', 'Rh', 'Ru', 'Ti']", "spacegroup.number": 10 } }
[ [ 0.994001, 0.040281, 0.746144 ], [ 0.494001, 0.459719, 0.253856 ], [ 0.505999, 0.540281, 0.746144 ], [ 0.005999, 0.959719, 0.253856 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, ...
[ 20, 20, 20, 20, 23, 23, 23, 23, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 5.381454, 0, 3.29519020792936e-16 ], [ -3.329461336863441e-16, 5.43742300095267, 0.0431232831179096 ], [ 0, 0, 7.6825386 ] ]
{ "object": { "material_id": "mvc-13158", "formation_energy_per_atom": -2.928685933000001, "band_gap": 0.2587000000000001, "pretty_formula": "CaVO3", "e_above_hull": 0.0088146909107305, "elements": "['Ca', 'V', 'O']", "spacegroup.number": 14 } }
[ [ 0.762724, 0.636355, 0.899704 ], [ 0.237274, 0.363645, 0.100296 ], [ 0.252369, 0.78682, 0.63961 ], [ 0.747629, 0.21318, 0.36039 ], [ 0.654676, 0.124632, 0.83002 ], [ 0.345325, 0.875368, 0.16998 ], [ 0.305876, 0....
[ 26, 26, 26, 26, 5, 5, 5, 5, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 3.2829441809277826, 0, -0.061387465568602244 ], [ -0.22709950299859602, 6.037145422279985, -1.6338464769853547 ], [ 0, 0, 9.53459789 ] ]
{ "object": { "material_id": "mp-19333", "formation_energy_per_atom": -2.284824142592593, "band_gap": 3.2492, "pretty_formula": "Fe2B2O5", "e_above_hull": 0, "elements": "['B', 'Fe', 'O']", "spacegroup.number": 2 } }
[ [ 0.999608, 0.999608, 0 ], [ 0.344288, 0.344288, 0 ], [ 0.66557, 0.66557, 0 ], [ 0.670699, 0.012904, 0.657795 ], [ 0.355109, 0.012904, 0.342205 ], [ 0.223815, 0.723815, 0.5 ], [ 0.185, 0.486775, 0.698225 ],...
[ 58, 49, 49, 49, 49, 49, 49, 49, 29, 29, 29, 29, 29 ]
[ [ 7.239745759277361, 0, -1.0556580642920135 ], [ -1.7926288242375936, 4.777270410950492, -5.243329278888438 ], [ 0, 0, 7.31630594 ] ]
{ "object": { "material_id": "mp-1227242", "formation_energy_per_atom": -0.075449241923077, "band_gap": 0, "pretty_formula": "CeIn7Cu5", "e_above_hull": 0.052314487802199, "elements": "['Ce', 'Cu', 'In']", "spacegroup.number": 44 } }
[ [ 0, 0.5, 0.239923 ], [ 0.5, 0, 0.760077 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0 ], [ 0, 0.5, 0.623116 ], [ 0.5, 0, 0.376884 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.874017 ], ...
[ 59, 59, 28, 28, 28, 28, 51, 51, 51, 51 ]
[ [ 4.475572, 0, 2.7404974620767587e-16 ], [ -2.7404974620767587e-16, 4.475572, 2.7404974620767587e-16 ], [ 0, 0, 10.095003 ] ]
{ "object": { "material_id": "mp-1078736", "formation_energy_per_atom": -0.7255703140000008, "band_gap": 0, "pretty_formula": "Pr(NiSb)2", "e_above_hull": 0, "elements": "['Ni', 'Pr', 'Sb']", "spacegroup.number": 129 } }
[ [ 0, 0.278956, 0.641006 ], [ 0.5, 0.723055, 0.368001 ], [ 0, 0.541501, 0.079356 ], [ 0.5, 0.455247, 0.901664 ], [ 0.5, 0.04524, 0.761025 ], [ 0, 0.955898, 0.246726 ], [ 0.5, 0.486598, 0.647518 ], [ 0,...
[ 41, 41, 41, 26, 34, 34, 34, 34, 34, 34, 34, 34, 16, 16 ]
[ [ 3.5008, 0, 2.143621757227527e-16 ], [ -5.29940759527041e-16, 8.654589386850255, 3.718652778896538 ], [ 0, 0, 10.11270167 ] ]
{ "object": { "material_id": "mp-1220747", "formation_energy_per_atom": -0.9984310910714294, "band_gap": 0, "pretty_formula": "Nb3Fe(Se4S)2", "e_above_hull": 0.0171151215178575, "elements": "['Fe', 'Nb', 'S', 'Se']", "spacegroup.number": 6 } }
[ [ 0.999884, 0.999884, 0.999884 ], [ 0.500006, 0.500006, 0.500006 ], [ 0.125383, 0.125383, 0.125383 ], [ 0.624644, 0.624644, 0.624644 ], [ 0.563982, 0.059663, 0.563982 ], [ 0.06389, 0.560576, 0.06389 ], [ 0.059663, ...
[ 58, 39, 12, 12, 28, 28, 28, 28, 28, 28, 28, 28 ]
[ [ 4.734054614301096, 0, 7.132986208790902 ], [ 2.1516474579225737, 4.21683368275307, 7.132986208790902 ], [ 0, 0, 8.56100266 ] ]
{ "object": { "material_id": "mp-1226870", "formation_energy_per_atom": -0.3939963426388881, "band_gap": 0, "pretty_formula": "CeY(MgNi4)2", "e_above_hull": 0, "elements": "['Ce', 'Mg', 'Ni', 'Y']", "spacegroup.number": 160 } }
[ [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0.5, 0.5 ], [ 0.747401, 0.747401, 0 ], [ 0.25, 0...
[ 56, 56, 56, 56, 12, 83, 83, 83, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 7.052904001905141, 0, -2.493578122780546 ], [ -3.5264519997799315, 6.1079940367798065, -2.493578122780546 ], [ 0, 0, 7.48073437 ] ]
{ "object": { "material_id": "mp-1147558", "formation_energy_per_atom": -2.316352075, "band_gap": 0, "pretty_formula": "Ba4Mg(BiO4)3", "e_above_hull": 0, "elements": "['Ba', 'Bi', 'Mg', 'O']", "spacegroup.number": 229 } }
[ [ 0.25, 0.75, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.25, 0.5 ], [ 0.490535, 0.66935, 0.821185 ], [ 0.33065, 0.151835, 0.821185 ], [ 0.33065, 0.509465, 0.178815 ], [ 0.848165, 0.66935, ...
[ 60, 60, 33, 33, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 5.894570168665167, 0, -1.736710910270796 ], [ -3.296898551706811, 4.886350111593604, -1.736710910270796 ], [ 0, 0, 6.14508928 ] ]
{ "object": { "material_id": "mp-755357", "formation_energy_per_atom": -2.8024053275, "band_gap": 3.7721, "pretty_formula": "NdAsO4", "e_above_hull": 0, "elements": "['As', 'Nd', 'O']", "spacegroup.number": 141 } }
[ [ 0.25, 0.078297, 0.858762 ], [ 0.75, 0.921703, 0.141238 ], [ 0.25, 0.578297, 0.641238 ], [ 0.75, 0.421703, 0.358762 ], [ 0.75, 0.078336, 0.600649 ], [ 0.75, 0.578336, 0.899351 ], [ 0.25, 0.921664, 0.399351 ...
[ 92, 92, 92, 92, 23, 23, 23, 23, 6, 6, 6, 6, 6, 6, 6, 6 ]
[ [ 3.191177, 0, 1.9540323492813267e-16 ], [ -3.4045652505314087e-16, 5.560077, 3.4045652505314087e-16 ], [ 0, 0, 10.778367 ] ]
{ "object": { "material_id": "mp-7810", "formation_energy_per_atom": -0.3856296431250001, "band_gap": 0, "pretty_formula": "UVC2", "e_above_hull": 0, "elements": "['C', 'U', 'V']", "spacegroup.number": 62 } }
[ [ 0.75, 0.25, 0.5 ], [ 0, 0, 0 ], [ 0.25, 0.75, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.375, 0.353448, 0.478448 ], [ 0.646552, 0.125, 0.021552 ], [ 0.103448, 0.625, 0.978448 ], [ 0.875, 0.896552, 0.521552...
[ 30, 30, 50, 50, 15, 15, 15, 15 ]
[ [ 5.210883530053021, 0, -4.6728991986843385 ], [ -1.0385646491686822, 5.1063382803409105, -4.6728991986843385 ], [ 0, 0, 6.99923525 ] ]
{ "object": { "material_id": "mp-4175", "formation_energy_per_atom": -0.1910884966666666, "band_gap": 0.7058999999999997, "pretty_formula": "ZnSnP2", "e_above_hull": 0, "elements": "['Zn', 'Sn', 'P']", "spacegroup.number": 122 } }
[ [ 0.678859, 0.178859, 0.5 ], [ 0.321141, 0.821141, 0.5 ], [ 0.178859, 0.321141, 0.5 ], [ 0.821141, 0.678859, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0 ], [ 0.117715, 0.617715, 0 ], [ 0.882285, 0.382285, ...
[ 58, 58, 58, 58, 49, 49, 29, 29, 29, 29 ]
[ [ 7.655423, 0, 4.687594636534514e-16 ], [ -4.687594636534514e-16, 7.655423, 4.687594636534514e-16 ], [ 0, 0, 3.7989 ] ]
{ "object": { "material_id": "mp-1206783", "formation_energy_per_atom": -0.2446823399999999, "band_gap": 0, "pretty_formula": "Ce2InCu2", "e_above_hull": 0.0208426322666666, "elements": "['Ce', 'Cu', 'In']", "spacegroup.number": 127 } }
[ [ 0.948577, 0.948577, 0.154269 ], [ 0.051423, 0.051423, 0.845731 ], [ 0.852624, 0.852624, 0.442128 ], [ 0.147376, 0.147376, 0.557872 ], [ 0.5, 0.5, 0.5 ], [ 0.7218, 0.7218, 0.8346 ], [ 0.2782, 0.2782, 0.1654 ...
[ 58, 58, 58, 58, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27 ]
[ [ 4.787762139658999, 0, 0.9374604198135376 ], [ 2.3021021398791315, 4.197974832215097, 0.9374604382780932 ], [ 0, 0, 12.69466852 ] ]
{ "object": { "material_id": "mp-1188550", "formation_energy_per_atom": -0.1418511122222222, "band_gap": 0, "pretty_formula": "Ce2Co7", "e_above_hull": 0.0288735639743604, "elements": "['Ce', 'Co']", "spacegroup.number": 166 } }
[ [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0.248061 ], [ 0.5, 0, 0.751939 ], [ 0, 0.5, 0.248061 ], [ 0, 0.5, 0.751939 ] ]
[ 57, 58, 49, 49, 49, 49, 49, 49 ]
[ [ 4.743299, 0, 2.904432968874421e-16 ], [ -2.904432968874421e-16, 4.743299, 2.904432968874421e-16 ], [ 0, 0, 9.540744 ] ]
{ "object": { "material_id": "mp-1223179", "formation_energy_per_atom": -0.4427115125000003, "band_gap": 0, "pretty_formula": "LaCeIn6", "e_above_hull": 0, "elements": "['Ce', 'In', 'La']", "spacegroup.number": 123 } }
[ [ 0.5, 0.5, 0.25525 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.74475 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.763147 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0.236853 ] ]
[ 62, 62, 62, 69, 16, 16, 16, 16 ]
[ [ 3.979286, 0, 2.4366099313959375e-16 ], [ -3.4473617575744127e-16, 5.629969, 3.4473617575744127e-16 ], [ 0, 0, 7.924952 ] ]
{ "object": { "material_id": "mp-1219179", "formation_energy_per_atom": -2.2408449730208337, "band_gap": 0, "pretty_formula": "Sm3TmS4", "e_above_hull": 0.0114585050000002, "elements": "['S', 'Sm', 'Tm']", "spacegroup.number": 47 } }
[ [ 0.49998, 0.49998, 0.50755 ], [ 0.493245, 0.493245, 0.84251 ], [ 0.499422, 0.499422, 0.13062 ], [ 0.000306, 0.000306, 0.284304 ], [ 0.0153, 0.0153, 0.997993 ], [ 0.999692, 0.999692, 0.709298 ], [ 0.010163, 0.010...
[ 37, 57, 57, 73, 22, 22, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 3.8775719745980277, 0, 0.026175162166703694 ], [ -0.004389730255549075, 3.877569489829464, 0.026175162166703694 ], [ 0, 0, 15.49236371 ] ]
{ "object": { "material_id": "mp-1219619", "formation_energy_per_atom": -3.5220650715104185, "band_gap": 2.4813, "pretty_formula": "RbLa2TaTi2O10", "e_above_hull": 0.0276170518749996, "elements": "['La', 'O', 'Rb', 'Ta', 'Ti']", "spacegroup.number": 8 } }
[ [ 0, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ] ]
[ 61, 46, 46, 82 ]
[ [ 4.2891190013227005, 0, 2.4763240100000004 ], [ 1.4297063337742337, 4.043820174868472, 2.4763240100000004 ], [ 0, 0, 4.95264802 ] ]
{ "object": { "material_id": "mp-862950", "formation_energy_per_atom": -0.6587898943749995, "band_gap": 0, "pretty_formula": "PmPd2Pb", "e_above_hull": 0, "elements": "['Pb', 'Pd', 'Pm']", "spacegroup.number": 225 } }
[ [ 0.669114, 0.169114, 0.5 ], [ 0.169114, 0.330886, 0.5 ], [ 0.830886, 0.669114, 0.5 ], [ 0.330886, 0.830886, 0.5 ], [ 0.373717, 0.126283, 0 ], [ 0.126283, 0.626283, 0 ], [ 0.626283, 0.873717, 0 ], [ 0...
[ 68, 68, 68, 68, 46, 46, 46, 46, 82, 82 ]
[ [ 7.932744, 0, 4.857404774027685e-16 ], [ -4.857404774027685e-16, 7.932744, 4.857404774027685e-16 ], [ 0, 0, 3.552639 ] ]
{ "object": { "material_id": "mp-31090", "formation_energy_per_atom": -0.8454010420000003, "band_gap": 0, "pretty_formula": "Er2Pd2Pb", "e_above_hull": 0, "elements": "['Er', 'Pb', 'Pd']", "spacegroup.number": 127 } }
[ [ 0.004529, 0, 0.004529 ], [ 0.659762, 0, 0.659762 ], [ 0.338746, 0, 0.338746 ], [ 0.334686, 0.342799, 0.991886 ], [ 0.649087, 0.657201, 0.991886 ], [ 0.775251, 0.5, 0.275251 ], [ 0.793079, 0.288479, 0.5046 ...
[ 67, 13, 13, 13, 13, 13, 13, 13, 26, 26, 26, 26, 26 ]
[ [ 6.529570879723649, 0, -0.9709717682664225 ], [ -1.6430707874206139, 4.338999233607433, -4.695900987710941 ], [ 0, 0, 6.60136971 ] ]
{ "object": { "material_id": "mp-1223779", "formation_energy_per_atom": -0.3979913715384614, "band_gap": 0, "pretty_formula": "HoAl7Fe5", "e_above_hull": 0.0124976257692281, "elements": "['Al', 'Fe', 'Ho']", "spacegroup.number": 44 } }
[ [ 0.75, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.637901, 0.1207, 0.1207 ], [ 0.1207, 0.637901, 0.1207 ], [ 0.1207, 0.1207, 0.637901 ], [ 0.1207, 0.1207, 0.1207 ], [ 0.906109, 0.36463, 0.36463 ], [ 0.36463...
[ 30, 30, 24, 24, 24, 24, 34, 34, 34, 34, 16, 16, 16, 16 ]
[ [ 6.327417799817736, 0, 3.653136370000001 ], [ 2.1091392666059123, 5.965546711535448, 3.653136370000001 ], [ 0, 0, 7.30627274 ] ]
{ "object": { "material_id": "mp-1215673", "formation_energy_per_atom": -0.9417692222767856, "band_gap": 0, "pretty_formula": "ZnCr2(SeS)2", "e_above_hull": 0.0147743135714275, "elements": "['Cr', 'S', 'Se', 'Zn']", "spacegroup.number": 216 } }
[ [ 0.983679, 0.061074, 0.25 ], [ 0.516321, 0.561075, 0.25 ], [ 0.483679, 0.438926, 0.75 ], [ 0.016321, 0.938925, 0.75 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ ...
[ 70, 70, 70, 70, 27, 27, 27, 27, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 5.185925, 0, 3.175463225934119e-16 ], [ -3.299533417802536e-16, 5.388547, 3.299533417802536e-16 ], [ 0, 0, 7.39165 ] ]
{ "object": { "material_id": "mp-687081", "formation_energy_per_atom": -2.179786473, "band_gap": 0, "pretty_formula": "YbCoO3", "e_above_hull": 0, "elements": "['Co', 'O', 'Yb']", "spacegroup.number": 62 } }
[ [ 0.02226, 0.929273, 0.25 ], [ 0.47774, 0.429273, 0.25 ], [ 0.52226, 0.570727, 0.75 ], [ 0.97774, 0.070727, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.5, 0, 0.5 ], [ 0....
[ 69, 69, 69, 69, 23, 23, 23, 23, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 5.262829, 0, 3.222553344654933e-16 ], [ -3.482902844655867e-16, 5.688012, 3.482902844655867e-16 ], [ 0, 0, 7.622399 ] ]
{ "object": { "material_id": "mp-755258", "formation_energy_per_atom": -3.3213546993333347, "band_gap": 1.5817999999999994, "pretty_formula": "TmVO3", "e_above_hull": 0, "elements": "['O', 'Tm', 'V']", "spacegroup.number": 62 } }
[ [ 0.3333333333333333, 0.6666666666666666, 0.918371 ], [ 0.6666666666666666, 0.3333333333333333, 0.749256 ], [ 0.3333333333333333, 0.6666666666666666, 0.250744 ], [ 0.6666666666666666, 0.3333333333333333, 0.081629 ], [ 0.3333333333333333, 0.6666...
[ 58, 58, 58, 58, 12, 12 ]
[ [ 3.25348195, 0, 1.9921831280755943e-16 ], [ -1.6267409204142371, 2.8175980509692367, 1.9921831280755943e-16 ], [ 0, 0, 17.033754 ] ]
{ "object": { "material_id": "mp-1039090", "formation_energy_per_atom": 0.0574258183333338, "band_gap": 0, "pretty_formula": "Ce2Mg", "e_above_hull": 0.0699625733333331, "elements": "['Ce', 'Mg']", "spacegroup.number": 164 } }
[ [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
[ 73, 73, 41, 44 ]
[ [ 3.961914936336019, 0, 2.2874126550000002 ], [ 1.3206383121120064, 3.7353292239566236, 2.2874126550000002 ], [ 0, 0, 4.57482531 ] ]
{ "object": { "material_id": "mp-864651", "formation_energy_per_atom": -0.2639596687499992, "band_gap": 0, "pretty_formula": "Ta2NbRu", "e_above_hull": 0, "elements": "['Ta', 'Nb', 'Ru']", "spacegroup.number": 225 } }
[ [ 0, 0, 0.5 ], [ 0.3333333333333333, 0.6666666666666666, 0 ], [ 0.6666666666666666, 0.3333333333333333, 0 ] ]
[ 56, 47, 47 ]
[ [ 4.93300332, 0, 3.0205933630106335e-16 ], [ -2.466500983719735, 4.272106582523498, 3.0205933630106335e-16 ], [ 0, 0, 4.39321 ] ]
{ "object": { "material_id": "mp-1241", "formation_energy_per_atom": -0.2951153344444446, "band_gap": 0, "pretty_formula": "BaAg2", "e_above_hull": 0, "elements": "['Ag', 'Ba']", "spacegroup.number": 191 } }
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ] ]
[ 3, 50, 46, 46 ]
[ [ 3.893316977499714, 0, 2.2478076050000007 ], [ 1.297772325833238, 3.670654448131681, 2.2478076050000007 ], [ 0, 0, 4.49561521 ] ]
{ "object": { "material_id": "mp-7243", "formation_energy_per_atom": -0.662821757083333, "band_gap": 0, "pretty_formula": "LiSnPd2", "e_above_hull": 0, "elements": "['Li', 'Sn', 'Pd']", "spacegroup.number": 225 } }
[ [ 0.770065, 0.770065, 0.770065 ], [ 0.229935, 0.229935, 0.229935 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
[ 38, 38, 7, 17 ]
[ [ 3.7773260710360934, 0, 6.43069736357318 ], [ 1.7489631288792953, 3.348032290876197, 6.43069736357318 ], [ 0, 0, 7.45801981 ] ]
{ "object": { "material_id": "mp-23033", "formation_energy_per_atom": -1.6650796470833336, "band_gap": 1.9839, "pretty_formula": "Sr2NCl", "e_above_hull": 0, "elements": "['Sr', 'N', 'Cl']", "spacegroup.number": 166 } }
[ [ 0.64954, 0.64954, 0.64954 ], [ 0.35046, 0.35046, 0.35046 ], [ 0.893478, 0.893478, 0.893478 ], [ 0.106522, 0.106522, 0.106522 ], [ 0, 0, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0.5, 0 ], [ 0.711446, 0.288554,...
[ 62, 62, 31, 31, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27 ]
[ [ 6.306648650102827, 0, 0.7981425006262539 ], [ 0.7034995531435555, 6.2672885344916605, 0.7981425006262539 ], [ 0, 0, 6.35695322 ] ]
{ "object": { "material_id": "mp-1188906", "formation_energy_per_atom": -0.1014661484210527, "band_gap": 0, "pretty_formula": "Sm2Ga2Co15", "e_above_hull": 0.0458038503947326, "elements": "['Co', 'Ga', 'Sm']", "spacegroup.number": 166 } }
[ [ 0, 0, 0 ], [ 0.132403, 0.867597, 0.5 ], [ 0.5, 0.132403, 0.867597 ], [ 0.867597, 0.5, 0.132403 ], [ 0.5, 0.867597, 0.132403 ], [ 0.132403, 0.5, 0.867597 ], [ 0.867597, 0.132403, 0.5 ], [ 0.543495, ...
[ 39, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 5, 5, 5, 5, 5, 5 ]
[ [ 5.783402171222554, 0, -1.440774127624541 ], [ -1.8437388991630164, 5.4816391294771405, -1.440774127624541 ], [ 0, 0, 5.96016513 ] ]
{ "object": { "material_id": "mp-1188251", "formation_energy_per_atom": -0.3481837474561413, "band_gap": 0, "pretty_formula": "Y(Co2B)6", "e_above_hull": 0, "elements": "['B', 'Co', 'Y']", "spacegroup.number": 166 } }
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.65643, 0.83874, 0.250912 ], [ 0.83874, 0.250912, 0.65643 ], [ 0.749088, 0.34357, 0.16126 ], [ 0.16126, 0.749088, 0.34357 ], [ 0.34357, 0.16126, 0.749088 ], [ 0.2509...
[ 12, 51, 9, 9, 9, 9, 9, 9 ]
[ [ 4.7957782031642155, 0, 2.9861816380230914 ], [ 1.6583617356825402, 4.499924991326965, 2.9861816380230914 ], [ 0, 0, 5.64949358 ] ]
{ "object": { "material_id": "mvc-15707", "formation_energy_per_atom": -3.019201613125, "band_gap": 0, "pretty_formula": "MgSbF6", "e_above_hull": 0.0795379720312494, "elements": "['F', 'Mg', 'Sb']", "spacegroup.number": 148 } }
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
[ 29, 78 ]
[ [ 2.6196763782152317, 0, 3.7462828926122773 ], [ 1.1799069362512808, 2.3389151220950684, 3.7462828926122773 ], [ 0, 0, 4.57136116 ] ]
{ "object": { "material_id": "mp-644311", "formation_energy_per_atom": -0.1565724299999997, "band_gap": 0, "pretty_formula": "CuPt", "e_above_hull": 0, "elements": "['Cu', 'Pt']", "spacegroup.number": 166 } }
[ [ 0, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ] ]
[ 73, 74, 74, 74 ]
[ [ 3.9382528619783246, 0, 2.2737513500000004 ], [ 1.312750953992775, 3.713020406309602, 2.2737513500000004 ], [ 0, 0, 4.5475027 ] ]
{ "object": { "material_id": "mp-979289", "formation_energy_per_atom": -0.0902366024999992, "band_gap": 0, "pretty_formula": "TaW3", "e_above_hull": 0, "elements": "['Ta', 'W']", "spacegroup.number": 225 } }
[ [ 0.860957, 0.633359, 0.227598 ], [ 0.139043, 0.366641, 0.772402 ], [ 0.594239, 0.866641, 0.727598 ], [ 0.405761, 0.133359, 0.272402 ], [ 0.5, 0.75, 0.25 ], [ 0.5, 0.25, 0.75 ], [ 0.223882, 0.973882, 0.75 ]...
[ 62, 62, 62, 62, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 77, 77, 77, 77, 77, 77 ]
[ [ 8.15852748377692, 0, -2.1750756371940394 ], [ -1.6896514211493638, 5.426378952474692, -6.244358595580975 ], [ 0, 0, 8.44349008 ] ]
{ "object": { "material_id": "mp-983234", "formation_energy_per_atom": -0.7465528959999993, "band_gap": 0, "pretty_formula": "Sm2Ge5Ir3", "e_above_hull": 0, "elements": "['Ge', 'Ir', 'Sm']", "spacegroup.number": 72 } }
[ [ 0, 0.5, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0, 0 ], [ 0.154169, 0.154169, 0.255885 ], [ 0.345831, 0.654169, 0.755885 ], [ 0.654169, 0.345831, 0.755885 ], [ 0.654169, 0.345831, 0.24...
[ 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 27, 27, 27, 27 ]
[ [ 6.899372, 0, 4.2246469179634362e-16 ], [ -4.2246469179634362e-16, 6.899372, 4.2246469179634362e-16 ], [ 0, 0, 7.144833 ] ]
{ "object": { "material_id": "mp-22236", "formation_energy_per_atom": -0.0131896887500002, "band_gap": 0, "pretty_formula": "In3Co", "e_above_hull": 0, "elements": "['Co', 'In']", "spacegroup.number": 136 } }
[ [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
[ 67, 67, 30, 47 ]
[ [ 4.39944279157468, 0, 2.5400194800000007 ], [ 1.4664809305248936, 4.147834441819642, 2.5400194800000007 ], [ 0, 0, 5.08003896 ] ]
{ "object": { "material_id": "mp-1184634", "formation_energy_per_atom": -0.3336170066666666, "band_gap": 0, "pretty_formula": "Ho2ZnAg", "e_above_hull": 0.0118677100000001, "elements": "['Ag', 'Ho', 'Zn']", "spacegroup.number": 225 } }
[ [ 0.002956, 0.138601, 0.908634 ], [ 0.502956, 0.861399, 0.091366 ], [ 0.015854, 0.610604, 0.346813 ], [ 0.515854, 0.389396, 0.653187 ], [ 0.28915, 0.861083, 0.597601 ], [ 0.78915, 0.138917, 0.402399 ], [ 0.279513, ...
[ 92, 92, 92, 92, 92, 92, 92, 92, 78, 78, 78, 78, 78, 78, 78, 78 ]
[ [ 10.669209, 0, 6.533006325642066e-16 ], [ -3.463079156400826e-16, 5.655637460224379, 1.1593431599779802 ], [ 0, 0, 5.81619554 ] ]
{ "object": { "material_id": "mp-542817", "formation_energy_per_atom": -0.5205230537500007, "band_gap": 0, "pretty_formula": "UPt", "e_above_hull": 0.0235311462499989, "elements": "['Pt', 'U']", "spacegroup.number": 4 } }
[ [ 0, 0, 0.999845 ], [ 0.6666666666666666, 0.3333333333333333, 0.334909 ], [ 0.3333333333333333, 0.6666666666666666, 0.665581 ], [ 0.830596, 0.169404, 0.78868 ], [ 0.499245, 0.500755, 0.128931 ], [ 0.165124, 0.834876, 0.45871...
[ 39, 40, 40, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28 ]
[ [ 4.77708032, 0, 2.9251180615789064e-16 ], [ -2.388540475538218, 4.137072730862603, 2.9251180615789064e-16 ], [ 0, 0, 11.698677 ] ]
{ "object": { "material_id": "mp-1216007", "formation_energy_per_atom": -0.279814519814815, "band_gap": 0, "pretty_formula": "YZr2Ni15", "e_above_hull": 0.0400749788888878, "elements": "['Ni', 'Y', 'Zr']", "spacegroup.number": 156 } }
[ [ 0, 0.5, 0.827361 ], [ 0.5, 0, 0.172639 ], [ 0.5, 0, 0.627851 ], [ 0, 0.5, 0.372149 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0 ] ]
[ 60, 60, 17, 17, 8, 8 ]
[ [ 4.072974, 0, 2.493977286055196e-16 ], [ -2.493977286055196e-16, 4.072974, 2.493977286055196e-16 ], [ 0, 0, 6.84349 ] ]
{ "object": { "material_id": "mp-23058", "formation_energy_per_atom": -3.4712024683333347, "band_gap": 4.769299999999999, "pretty_formula": "NdClO", "e_above_hull": 0, "elements": "['Nd', 'Cl', 'O']", "spacegroup.number": 129 } }
[ [ 0.75, 0.712786, 0.114547 ], [ 0.25, 0.287214, 0.885453 ], [ 0.75, 0.126059, 0.230392 ], [ 0.25, 0.344503, 0.305428 ], [ 0.75, 0.655497, 0.694572 ], [ 0.25, 0.873941, 0.769608 ], [ 0.25, 0.767594, 0.429841 ...
[ 67, 67, 1, 1, 1, 1, 17, 17, 8, 8, 8, 8 ]
[ [ 3.61867, 0, 2.2157963163352762e-16 ], [ -3.621890490283637e-16, 5.914996050788421, 1.8006314506767864 ], [ 0, 0, 6.63808987 ] ]
{ "object": { "material_id": "mp-976713", "formation_energy_per_atom": -2.4291341874999994, "band_gap": 4.897600000000001, "pretty_formula": "HoH2ClO2", "e_above_hull": 0, "elements": "['Cl', 'H', 'Ho', 'O']", "spacegroup.number": 11 } }
[ [ 0, 0.589058, 0.5 ], [ 0.589058, 0, 0.5 ], [ 0.410942, 0.410942, 0.5 ], [ 0.744815, 0.744815, 0 ], [ 0, 0.255185, 0 ], [ 0.255185, 0, 0 ], [ 0, 0, 0.5 ], [ 0.6666666666666666, 0.3333333333333333,...
[ 65, 65, 65, 49, 49, 49, 28, 28, 28 ]
[ [ 7.49071123, 0, 4.586737765578316e-16 ], [ -3.7453548496188436, 6.487146659486336, 4.586737765578316e-16 ], [ 0, 0, 3.784163 ] ]
{ "object": { "material_id": "mp-582293", "formation_energy_per_atom": -0.4970961677777773, "band_gap": 0, "pretty_formula": "TbInNi", "e_above_hull": 0, "elements": "['In', 'Ni', 'Tb']", "spacegroup.number": 189 } }
[ [ 0, 0, 0 ], [ 0.567425, 0.416517, 0.23325 ], [ 0.432575, 0.583483, 0.76675 ], [ 0.418016, 0.233525, 0.563887 ], [ 0.581984, 0.766475, 0.436113 ], [ 0.241776, 0.563699, 0.419526 ], [ 0.758224, 0.436301, 0.580...
[ 56, 42, 42, 42, 42, 42, 42, 16, 16, 16, 16, 16, 16, 16, 16 ]
[ [ 6.657942699256065, 0, 0.08729844585023937 ], [ 0.24357805902133642, 6.726346951160478, 0.10425578213828933 ], [ 0, 0, 6.79470461 ] ]
{ "object": { "material_id": "mp-5716", "formation_energy_per_atom": -1.1643923116666657, "band_gap": 0, "pretty_formula": "Ba(Mo3S4)2", "e_above_hull": 0, "elements": "['Ba', 'Mo', 'S']", "spacegroup.number": 2 } }
[ [ 0, 0, 0 ], [ 0.6666666666666666, 0.3333333333333333, 0 ], [ 0.3333333333333333, 0.6666666666666666, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ] ]
[ 90, 28, 28, 28, 28, 28 ]
[ [ 4.92299188, 0, 3.014463124035205e-16 ], [ -2.4614958231747357, 4.263436098153608, 3.014463124035205e-16 ], [ 0, 0, 4.000714 ] ]
{ "object": { "material_id": "mp-1567", "formation_energy_per_atom": -0.4083734416666675, "band_gap": 0, "pretty_formula": "ThNi5", "e_above_hull": 0, "elements": "['Th', 'Ni']", "spacegroup.number": 191 } }
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.694591 ], [ 0, 0.5, 0.694591 ], [ 0.5, 0, 0.305409 ], [ 0, 0.5, 0.305409 ], [ 0, 0, 0.5 ] ]
[ 66, 49, 49, 49, 49, 49, 27 ]
[ [ 4.56709, 0, 2.796536074958943e-16 ], [ -2.796536074958943e-16, 4.56709, 2.796536074958943e-16 ], [ 0, 0, 7.473557 ] ]
{ "object": { "material_id": "mp-1078142", "formation_energy_per_atom": -0.2310430078571431, "band_gap": 0, "pretty_formula": "DyIn5Co", "e_above_hull": 0.0061518154761901, "elements": "['Co', 'Dy', 'In']", "spacegroup.number": 123 } }
[ [ 0, 0.5, 0.001556 ], [ 0, 0, 0.49856 ], [ 0.5, 0, 0.832251 ], [ 0.5, 0, 0.166874 ], [ 0.5, 0.5, 0.66596 ], [ 0.5, 0.5, 0.334799 ] ]
[ 59, 59, 13, 13, 13, 32 ]
[ [ 4.329695, 0, 2.6511735615171497e-16 ], [ -2.671781305529802e-16, 4.36335, 2.671781305529802e-16 ], [ 0, 0, 7.544752 ] ]
{ "object": { "material_id": "mp-1219929", "formation_energy_per_atom": -0.5809161741666671, "band_gap": 0, "pretty_formula": "Pr2Al3Ge", "e_above_hull": 0.0058803983333337, "elements": "['Al', 'Ge', 'Pr']", "spacegroup.number": 25 } }
[ [ 0.323721, 0.798829, 0.798829 ], [ 0.798829, 0.798829, 0.323721 ], [ 0.798829, 0.323721, 0.798829 ], [ 0.201171, 0.676279, 0.201171 ], [ 0.676279, 0.201171, 0.201171 ], [ 0.201171, 0.201171, 0.676279 ], [ 0.666837, ...
[ 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 8, 8 ]
[ [ 4.596116202943579, 0, 2.331116296870982 ], [ 1.431483817504294, 4.36750938535727, 2.331116296870982 ], [ 0, 0, 5.15348366 ] ]
{ "object": { "material_id": "mp-1346", "formation_energy_per_atom": -0.805272605, "band_gap": 2.2093, "pretty_formula": "B6O", "e_above_hull": 0, "elements": "['B', 'O']", "spacegroup.number": 166 } }
[ [ 0, 0, 0 ], [ 0.015937, 0.349725, 0.317855 ], [ 0.5, 0.5, 0 ], [ 0.984063, 0.650275, 0.682145 ], [ 0.650275, 0.984063, 0.682145 ], [ 0.349725, 0.015937, 0.317855 ], [ 0.831869, 0.581364, 0.058132 ], [ ...
[ 55, 80, 80, 80, 80, 80, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17 ]
[ [ 9.19387567348539, 0, 3.148512002108523 ], [ -2.8583970594077486, 8.738244454710316, 3.148512002108523 ], [ 0, 0, 6.9409454 ] ]
{ "object": { "material_id": "mp-568628", "formation_energy_per_atom": -1.1759142878194726, "band_gap": 2.7167, "pretty_formula": "CsHg5Cl11", "e_above_hull": 0.0028675288235291, "elements": "['Cl', 'Cs', 'Hg']", "spacegroup.number": 12 } }
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ] ]
[ 68, 31, 45, 45 ]
[ [ 3.93966132239377, 0, 2.2745645250000006 ], [ 1.3132204407979235, 3.7143483155239947, 2.2745645250000006 ], [ 0, 0, 4.54912905 ] ]
{ "object": { "material_id": "mp-863711", "formation_energy_per_atom": -0.8602678368749999, "band_gap": 0, "pretty_formula": "ErGaRh2", "e_above_hull": 0, "elements": "['Er', 'Ga', 'Rh']", "spacegroup.number": 225 } }
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ] ]
[ 3, 13, 46, 46 ]
[ [ 3.7020963339985675, 0, 2.1374063150000002 ], [ 1.234032111332856, 3.49036989650166, 2.1374063150000002 ], [ 0, 0, 4.27481263 ] ]
{ "object": { "material_id": "mp-867820", "formation_energy_per_atom": -0.815358588333333, "band_gap": 0, "pretty_formula": "LiAlPd2", "e_above_hull": 0, "elements": "['Li', 'Al', 'Pd']", "spacegroup.number": 225 } }
[ [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
[ 67, 67, 44, 45 ]
[ [ 4.155583842313918, 0, 2.3992274500000006 ], [ 1.3851946141046396, 3.9179220195858937, 2.3992274500000006 ], [ 0, 0, 4.7984549 ] ]
{ "object": { "material_id": "mp-861965", "formation_energy_per_atom": -0.6563306862499996, "band_gap": 0, "pretty_formula": "Ho2RuRh", "e_above_hull": 0, "elements": "['Ho', 'Rh', 'Ru']", "spacegroup.number": 225 } }
[ [ 0, 0, 0 ], [ 0.75, 0.25, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.5 ], [ 0.482532, 0.982532, 0.5 ], [ 0.267468, 0.267468, 0 ], [ 0.732532, 0.732532, 0 ], [ 0.017468, 0.517468, 0.5 ] ]
[ 3, 3, 30, 30, 8, 8, 8, 8 ]
[ [ 3.837251541041823, 0, -3.5252782991050666 ], [ -0.7403398259308568, 3.7651555520812834, -3.5252782991050666 ], [ 0, 0, 5.2107664 ] ]
{ "object": { "material_id": "mp-760408", "formation_energy_per_atom": -1.6407475195833334, "band_gap": 0, "pretty_formula": "LiZnO2", "e_above_hull": 0.0797856449999994, "elements": "['Li', 'Zn', 'O']", "spacegroup.number": 141 } }
[ [ 0.3333333333333333, 0.6666666666666666, 0.00076 ], [ 0.6666666666666666, 0.3333333333333333, 0.50076 ], [ 0.3333333333333333, 0.6666666666666666, 0.37524 ], [ 0.6666666666666666, 0.3333333333333333, 0.87524 ] ]
[ 13, 13, 33, 33 ]
[ [ 4.04552935, 0, 2.4771722846670863e-16 ], [ -2.022764023772119, 3.503531564842059, 2.4771722846670863e-16 ], [ 0, 0, 6.649241 ] ]
{ "object": { "material_id": "mp-8881", "formation_energy_per_atom": -0.4782204924999993, "band_gap": 1.6862000000000004, "pretty_formula": "AlAs", "e_above_hull": 0.0069216700000005, "elements": "['Al', 'As']", "spacegroup.number": 186 } }
[ [ 0.653688, 0.153688, 0.807376 ], [ 0.846312, 0.653688, 0.5 ], [ 0.153688, 0.346312, 0.5 ], [ 0.346312, 0.846312, 0.192624 ], [ 0.75, 0.75, 0 ], [ 0.25, 0.25, 0 ] ]
[ 72, 72, 72, 72, 31, 31 ]
[ [ 5.278860998480602, 0, -1.2882436302242533 ], [ -3.2555235960257676, 4.155471039124094, -1.2882436302242533 ], [ 0, 0, 5.43377816 ] ]
{ "object": { "material_id": "mp-30572", "formation_energy_per_atom": -0.3981106324999999, "band_gap": 0, "pretty_formula": "Hf2Ga", "e_above_hull": 0, "elements": "['Hf', 'Ga']", "spacegroup.number": 140 } }
[ [ 0, 0, 0.751478 ], [ 0, 0, 0.251478 ], [ 0.6666666666666666, 0.3333333333333333, 0.952248 ], [ 0.3333333333333333, 0.6666666666666666, 0.452248 ], [ 0.6666666666666666, 0.3333333333333333, 0.543274 ], [ 0.3333333333333333, 0.66...
[ 63, 63, 48, 48, 82, 82 ]
[ [ 5.09413944, 0, 3.119260779803145e-16 ], [ -2.54706915637542, 4.4116544908689885, 3.119260779803145e-16 ], [ 0, 0, 7.984335 ] ]
{ "object": { "material_id": "mp-1018696", "formation_energy_per_atom": -0.4296691966666668, "band_gap": 0, "pretty_formula": "EuCdPb", "e_above_hull": 0, "elements": "['Cd', 'Eu', 'Pb']", "spacegroup.number": 186 } }
[ [ 0.255028, 0.255028, 0.113514 ], [ 0.748951, 0.748951, 0.37771 ], [ 0.251049, 0.251049, 0.62229 ], [ 0.744972, 0.744972, 0.886486 ], [ 0.509326, 0.509326, 0.241738 ], [ 0, 0, 0.5 ], [ 0.490674, 0.490674, 0.7...
[ 3, 3, 3, 3, 25, 25, 25, 27, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ [ 5.117581632291654, 0, 0.44761444663629335 ], [ 4.320496041755782, 2.7428007066393887, 0.44761444663629335 ], [ 0, 0, 10.90929229 ] ]
{ "object": { "material_id": "mp-1174169", "formation_energy_per_atom": -2.0047527301329024, "band_gap": 0.5448999999999997, "pretty_formula": "Li4Mn3CoO8", "e_above_hull": 0.0532721017187505, "elements": "['Co', 'Li', 'Mn', 'O']", "spacegroup.number": 12 } }
[ [ 0, 0.678894, 0.5 ], [ 0, 0.321106, 0 ], [ 0.678894, 0.678894, 0 ], [ 0.678894, 0, 0.5 ], [ 0.321106, 0.321106, 0.5 ], [ 0.321106, 0, 0 ], [ 0.6666666666666666, 0.3333333333333333, 0.75 ], [ 0.333333...
[ 26, 26, 26, 26, 26, 26, 6, 6 ]
[ [ 4.66170975, 0, 2.854473961945754e-16 ], [ -2.3308546283839813, 4.037159210953419, 2.854473961945754e-16 ], [ 0, 0, 4.320303 ] ]
{ "object": { "material_id": "mp-13154", "formation_energy_per_atom": 0.055299538749999, "band_gap": 0, "pretty_formula": "Fe3C", "e_above_hull": 0.055299538749999, "elements": "['Fe', 'C']", "spacegroup.number": 182 } }
[ [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.762085, 0.762085, 0.5 ], [ 0.237915, 0.237915, 0.5 ], [ 0.75863, 0.24137, 0 ], [ 0.24137, 0.75863, 0 ] ]
[ 3, 3, 12, 35, 35, 35, 35 ]
[ [ 6.81632801, 0, 4.173797139692474e-16 ], [ -2.283911501160539, 6.422310783104254, 4.173797139692474e-16 ], [ 0, 0, 3.890538 ] ]
{ "object": { "material_id": "mp-29009", "formation_energy_per_atom": -1.833252202380952, "band_gap": 4.527699999999999, "pretty_formula": "Li2MgBr4", "e_above_hull": 0.0145932442857152, "elements": "['Li', 'Mg', 'Br']", "spacegroup.number": 65 } }
[ [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ] ]
[ 43, 43, 43, 7, 7, 7 ]
[ [ 4.054436, 0, 2.482626034873899e-16 ], [ -2.482626034873899e-16, 4.054436, 2.482626034873899e-16 ], [ 0, 0, 4.054436 ] ]
{ "object": { "material_id": "mp-1019319", "formation_energy_per_atom": -0.1728046608333322, "band_gap": 0, "pretty_formula": "TcN", "e_above_hull": 0, "elements": "['Tc', 'N']", "spacegroup.number": 221 } }
[ [ 0.75, 0.75, 0.675995 ], [ 0.25, 0.25, 0.324005 ], [ 0.25, 0.75, 0.251413 ], [ 0.75, 0.25, 0.748587 ], [ 0.75, 0.75, 0.98789 ], [ 0.25, 0.25, 0.01211 ], [ 0.75, 0.94994, 0.415686 ], [ 0.75, 0.550...
[ 58, 58, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 28, 28, 28, 28, 28, 28 ]
[ [ 4.411097, 0, 2.7010179108892463e-16 ], [ -4.717903420166611e-16, 7.704921, 4.717903420166611e-16 ], [ 0, 0, 11.870646 ] ]
{ "object": { "material_id": "mp-1189631", "formation_energy_per_atom": -0.2494430799999996, "band_gap": 0, "pretty_formula": "Ce(In2Ni)3", "e_above_hull": 0.0168360794999991, "elements": "['Ce', 'In', 'Ni']", "spacegroup.number": 59 } }
[ [ 0, 0, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.270408 ], [ 0.5, 0.5, 0.729592 ], [ 0.5, 0, 0.228449 ], [ 0.5, 0, 0.771551 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.228449 ], [ 0, 0.5, 0.771...
[ 19, 19, 45, 45, 8, 8, 8, 8, 8 ]
[ [ 3.890935, 0, 2.382510546720203e-16 ], [ -2.382510546720203e-16, 3.890935, 2.382510546720203e-16 ], [ 0, 0, 8.72043 ] ]
{ "object": { "material_id": "mp-867920", "formation_energy_per_atom": -1.234061690111112, "band_gap": 0, "pretty_formula": "K2Rh2O5", "e_above_hull": 0, "elements": "['K', 'Rh', 'O']", "spacegroup.number": 123 } }
[ [ 0, 0, 0 ], [ 0.75, 0.25, 0.5 ], [ 0.25, 0.75, 0.5 ], [ 0.353284, 0.353284, 0 ], [ 0.646716, 0.646716, 0 ] ]
[ 68, 27, 27, 5, 5 ]
[ [ 3.33162958678041, 0, -4.052115881816238 ], [ -0.42775014723045707, 3.3040559188753034, -4.052115881816238 ], [ 0, 0, 5.24589352 ] ]
{ "object": { "material_id": "mp-568509", "formation_energy_per_atom": -0.5797635876666675, "band_gap": 0, "pretty_formula": "Er(CoB)2", "e_above_hull": 0, "elements": "['Er', 'Co', 'B']", "spacegroup.number": 139 } }
[ [ 0, 0, 0 ], [ 0.882996, 0.530617, 0 ], [ 0.530617, 0.882996, 0 ], [ 0.117004, 0.117004, 0.647621 ], [ 0, 0.5, 0.5 ], [ 0.469383, 0.469383, 0.352379 ], [ 0.5, 0, 0.5 ], [ 0.249699, 0.59575, 0 ...
[ 39, 50, 50, 50, 50, 50, 50, 44, 44, 44, 44 ]
[ [ 6.001230946574818, 0, -3.5233597041921554 ], [ -1.966962246766918, 5.669729481546798, -3.5233597041921554 ], [ 0, 0, 6.95908302 ] ]
{ "object": { "material_id": "mp-639910", "formation_energy_per_atom": -0.3240539115151506, "band_gap": 0, "pretty_formula": "Y(Sn3Ru2)2", "e_above_hull": 0, "elements": "['Y', 'Sn', 'Ru']", "spacegroup.number": 121 } }
[ [ 0, 0, 0 ], [ 0.786206, 0.786206, 0.786206 ], [ 0.213794, 0.213794, 0.213794 ], [ 0.5, 0.5, 0.5 ], [ 0.620861, 0.620861, 0.620861 ], [ 0.379139, 0.379139, 0.379139 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, ...
[ 55, 55, 55, 12, 12, 12, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ [ 5.79456831189661, 0, 5.928626868472466 ], [ 2.4160980901795055, 5.266829401059737, 5.928626868472466 ], [ 0, 0, 8.29009302 ] ]
{ "object": { "material_id": "mp-23751", "formation_energy_per_atom": -0.3269623065862068, "band_gap": 2.7741, "pretty_formula": "CsMgH3", "e_above_hull": 0.0041036469999999, "elements": "['Cs', 'H', 'Mg']", "spacegroup.number": 166 } }
[ [ 0.6666666666666666, 0.3333333333333333, 0 ], [ 0, 0, 0 ], [ 0.3333333333333333, 0.6666666666666666, 0 ], [ 0.662391, 0.831196, 0.5 ], [ 0.168804, 0.831196, 0.5 ], [ 0.168804, 0.337609, 0.5 ] ]
[ 58, 13, 28, 28, 28, 28 ]
[ [ 5.1146179, 0, 3.1318002200483787e-16 ], [ -2.5573088471811283, 4.429389091413119, 3.1318002200483787e-16 ], [ 0, 0, 3.899712 ] ]
{ "object": { "material_id": "mp-1226683", "formation_energy_per_atom": -0.4323395274999993, "band_gap": 0, "pretty_formula": "CeAlNi4", "e_above_hull": 0.0679796266666663, "elements": "['Al', 'Ce', 'Ni']", "spacegroup.number": 187 } }
[ [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.75594, 0.24406, 0.24406 ], [ 0.24406, 0.24406, 0.75594 ], [ 0.24406, 0.75594, 0.75594 ], [ 0.24406, 0.75594, 0.2...
[ 37, 37, 11, 81, 35, 35, 35, 35, 35, 35 ]
[ [ 6.975967978075328, 0, 4.027576990000001 ], [ 2.325322659358443, 6.577005683516364, 4.027576990000001 ], [ 0, 0, 8.05515398 ] ]
{ "object": { "material_id": "mp-1114462", "formation_energy_per_atom": -1.5317146869885057, "band_gap": 1.0394, "pretty_formula": "Rb2NaTlBr6", "e_above_hull": 0, "elements": "['Br', 'Na', 'Rb', 'Tl']", "spacegroup.number": 225 } }
[ [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.219013, 0.219013, 0.780987 ], [ 0.219013, 0.780987, 0.780987 ], [ 0.780987, 0.780987, 0.219013 ], [ 0.219013, 0.7809...
[ 19, 19, 81, 44, 9, 9, 9, 9, 9, 9 ]
[ [ 5.6638681741499015, 0, 3.270035815000001 ], [ 1.8879560580499675, 5.33994612491742, 3.270035815000001 ], [ 0, 0, 6.54007163 ] ]
{ "object": { "material_id": "mp-1111570", "formation_energy_per_atom": -2.354857702933333, "band_gap": 0, "pretty_formula": "K2TlRuF6", "e_above_hull": 0.0394258165961538, "elements": "['F', 'K', 'Ru', 'Tl']", "spacegroup.number": 225 } }
[ [ 0.75, 0.981348, 0.68246 ], [ 0.25, 0.018652, 0.31754 ], [ 0.75, 0.481348, 0.81754 ], [ 0.25, 0.518652, 0.18246 ], [ 0.75, 0.337584, 0.42502 ], [ 0.25, 0.162416, 0.92502 ], [ 0.25, 0.662416, 0.57498 ], [...
[ 38, 38, 38, 38, 50, 50, 50, 50, 78, 78, 78, 78 ]
[ [ 4.770256, 0, 2.920939370756728e-16 ], [ -4.734785788616258e-16, 7.732492, 4.734785788616258e-16 ], [ 0, 0, 8.11176 ] ]
{ "object": { "material_id": "mp-20001", "formation_energy_per_atom": -0.8544068722222224, "band_gap": 0, "pretty_formula": "SrSnPt", "e_above_hull": 0, "elements": "['Sr', 'Sn', 'Pt']", "spacegroup.number": 62 } }
[ [ 0, 0, 0 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0, 0, 0.5 ], [ 0.257239, 0.742761, 0.742761 ], [ 0.257239, 0.257239, 0.257239 ], [ 0.742761, 0.257239, 0.742761 ], [ 0.742761, 0.742761, 0.257239 ...
[ 73, 29, 29, 29, 52, 52, 52, 52 ]
[ [ 5.987645, 0, 3.666375141840327e-16 ], [ -3.666375141840327e-16, 5.987645, 3.666375141840327e-16 ], [ 0, 0, 5.987645 ] ]
{ "object": { "material_id": "mp-9295", "formation_energy_per_atom": -0.4756568775000005, "band_gap": 1.58, "pretty_formula": "TaCu3Te4", "e_above_hull": 0, "elements": "['Ta', 'Cu', 'Te']", "spacegroup.number": 215 } }
[ [ 0.3333333333333333, 0.6666666666666666, 0 ], [ 0.6666666666666666, 0.3333333333333333, 0.5 ], [ 0.6666666666666666, 0.3333333333333333, 0 ], [ 0.3333333333333333, 0.6666666666666666, 0.5 ], [ 0.269716, 0, 0.25 ], [ 0.269716, 0...
[ 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 13, 13, 50, 50, 50, 50, 50, 50 ]
[ [ 8.74469027, 0, 5.354578474345252e-16 ], [ -4.3723454046389305, 7.573123766370486, 5.354578474345252e-16 ], [ 0, 0, 5.917358 ] ]
{ "object": { "material_id": "mp-510321", "formation_energy_per_atom": -0.6012462788888892, "band_gap": 0, "pretty_formula": "Zr5AlSn3", "e_above_hull": 0, "elements": "['Al', 'Sn', 'Zr']", "spacegroup.number": 193 } }
[ [ 0.241243, 0, 0.241243 ], [ 0.758757, 0, 0.758757 ], [ 0.202873, 0.202873, 0 ], [ 0.797127, 0.797127, 0 ], [ 0.074261, 0.574261, 0.5 ], [ 0.574331, 0.574331, 0 ], [ 0.54776, 0.198002, 0.349758 ], [ 0...
[ 62, 62, 62, 62, 32, 32, 32, 32, 32, 32, 32, 32, 78, 78, 78, 78 ]
[ [ 7.832698121658309, 0, -5.568633745365424 ], [ -0.5226190152600784, 4.2623790553278065, -8.597664555485029 ], [ 0, 0, 9.61045481 ] ]
{ "object": { "material_id": "mp-1005755", "formation_energy_per_atom": -0.8952534968750001, "band_gap": 0, "pretty_formula": "SmGe2Pt", "e_above_hull": 0, "elements": "['Ge', 'Pt', 'Sm']", "spacegroup.number": 71 } }
[ [ 0.778902, 0.5, 0.557803 ], [ 0.110909, 0.5, 0.221818 ], [ 0.556351, 0, 0.112702 ], [ 0.5002, 0.5, 0.0004 ], [ 0.38783, 0.5, 0.77566 ], [ 0.997235, 0, 0.99447 ], [ 0.884036, 0, 0.768071 ], [ 0.661555...
[ 70, 70, 28, 32, 32, 32, 32, 32, 32 ]
[ [ 3.85809195845035, 0, -0.6849220583611987 ], [ -2.525968122065923e-16, 4.125219, 2.525968122065923e-16 ], [ 0, 0, 11.20856576 ] ]
{ "object": { "material_id": "mp-1207033", "formation_energy_per_atom": -0.4047023311111112, "band_gap": 0, "pretty_formula": "Yb2NiGe6", "e_above_hull": 0.0447907306481472, "elements": "['Ge', 'Ni', 'Yb']", "spacegroup.number": 38 } }
[ [ 0.906626, 0.906626, 0.906443 ], [ 0.249918, 0.249918, 0.656664 ], [ 0.093374, 0.093374, 0.093557 ], [ 0.750082, 0.750082, 0.343336 ], [ 0.089837, 0.089837, 0.843736 ], [ 0.654852, 0.654852, 0.146904 ], [ 0.345148, ...
[ 13, 13, 13, 13, 8, 8, 8, 8, 8, 8 ]
[ [ 5.1612971309127476, 0, 1.5016098460557474 ], [ 4.169521628077883, 3.0420515226667226, 1.5016098460557474 ], [ 0, 0, 7.26821141 ] ]
{ "object": { "material_id": "mp-754812", "formation_energy_per_atom": -3.3737164299999995, "band_gap": 4.3996, "pretty_formula": "Al2O3", "e_above_hull": 0.0528345780000005, "elements": "['Al', 'O']", "spacegroup.number": 12 } }
[ [ 0.999995, 0, 0 ], [ 0.499988, 0, 0.250722 ], [ 0.500004, 0.499987, 0.250633 ], [ 0.000016, 0.500013, 0.250633 ], [ 0.499988, 0, 0.749278 ], [ 0.500004, 0.499987, 0.749367 ], [ 0.000016, 0.500013, 0.749367 ...
[ 70, 25, 25, 25, 25, 25, 25, 32, 32, 32, 32, 32, 32 ]
[ [ 5.18551996, 0, 3.1752152104643553e-16 ], [ -2.5927600119931817, 4.491999901901641, 3.1758557680958835e-16 ], [ 0, 0, 8.131878 ] ]
{ "object": { "material_id": "mp-1104772", "formation_energy_per_atom": -0.284124950583554, "band_gap": 0, "pretty_formula": "Yb(MnGe)6", "e_above_hull": 0, "elements": "['Ge', 'Mn', 'Yb']", "spacegroup.number": 191 } }
[ [ 0.75, 0.988737, 0.811786 ], [ 0.25, 0.511263, 0.311786 ], [ 0.25, 0.011263, 0.188214 ], [ 0.75, 0.488737, 0.688214 ], [ 0.75, 0.353557, 0.06691 ], [ 0.25, 0.646443, 0.93309 ], [ 0.75, 0.853557, 0.43309 ],...
[ 38, 38, 38, 38, 12, 12, 12, 12, 50, 50, 50, 50 ]
[ [ 4.902729, 0, 3.002055688468452e-16 ], [ -5.042649135130511e-16, 8.235271, 5.042649135130511e-16 ], [ 0, 0, 8.941866 ] ]
{ "object": { "material_id": "mp-30780", "formation_energy_per_atom": -0.5629632363888888, "band_gap": 0, "pretty_formula": "SrMgSn", "e_above_hull": 0, "elements": "['Sr', 'Mg', 'Sn']", "spacegroup.number": 62 } }
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.370752, 0.766674, 0.091742 ], [ 0.766674, 0.091742, 0.370752 ], [ 0.908258, 0.629248, 0.233326 ], [ 0.233326, 0.908258, 0.629248 ], [ 0.629248, 0.233326, 0.908258 ], [ ...
[ 11, 83, 9, 9, 9, 9, 9, 9 ]
[ [ 4.913853564670664, 0, 3.6180020697722157 ], [ 1.8290234529587335, 4.560770775159995, 3.6180020697722157 ], [ 0, 0, 6.10212232 ] ]
{ "object": { "material_id": "mp-27420", "formation_energy_per_atom": -2.4838149101939657, "band_gap": 2.7358, "pretty_formula": "NaBiF6", "e_above_hull": 0, "elements": "['Bi', 'F', 'Na']", "spacegroup.number": 148 } }
[ [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.3333333333333333, 0.6666666666666666, 0.236895 ], [ 0.6666666666666666, 0.3333333333333333, 0.763105 ] ]
[ 3, 22, 34, 34 ]
[ [ 3.66105197, 0, 2.241747788286306e-16 ], [ -1.8305259534580354, 3.1705640288058263, 2.241747788286306e-16 ], [ 0, 0, 6.497813 ] ]
{ "object": { "material_id": "mp-1206595", "formation_energy_per_atom": -1.4605108353385416, "band_gap": 0, "pretty_formula": "LiTiSe2", "e_above_hull": 0, "elements": "['Li', 'Se', 'Ti']", "spacegroup.number": 164 } }
[ [ 0.004955, 0.004955, 0.004955 ], [ 0.625146, 0.625146, 0.625146 ], [ 0.488626, 0.003588, 0.003588 ], [ 0.003588, 0.003588, 0.488626 ], [ 0.003588, 0.488626, 0.003588 ], [ 0.374914, 0.374914, 0.374914 ], [ 0.22527, ...
[ 13, 13, 24, 24, 24, 29, 16, 16, 16, 16, 16, 16, 16, 16 ]
[ [ 6.108511181949963, 0, 3.520280000350047 ], [ 2.034300892728525, 5.759820200132263, 3.520280000350047 ], [ 0, 0, 7.05026754 ] ]
{ "object": { "material_id": "mp-1228975", "formation_energy_per_atom": -1.109612782500001, "band_gap": 0.1888999999999994, "pretty_formula": "Al2Cr3CuS8", "e_above_hull": 0, "elements": "['Al', 'Cr', 'Cu', 'S']", "spacegroup.number": 160 } }
[ [ 0.3333333333333333, 0.6666666666666666, 0.250012 ], [ 0, 0, 0.416628 ], [ 0, 0, 0.083316 ], [ 0, 0, 0.583372 ], [ 0, 0, 0.916684 ], [ 0.6666666666666666, 0.3333333333333333, 0.749988 ], [ 0.6666666666666666, 0....
[ 48, 48, 48, 48, 48, 48, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53 ]
[ [ 4.33201608, 0, 2.652594813113432e-16 ], [ -2.166008121847999, 3.7516359276277154, 2.652594813113432e-16 ], [ 0, 0, 44.456566 ] ]
{ "object": { "material_id": "mp-567402", "formation_energy_per_atom": -0.8379120044444446, "band_gap": 2.4173, "pretty_formula": "CdI2", "e_above_hull": 0.0011963072222225, "elements": "['Cd', 'I']", "spacegroup.number": 164 } }