{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=88","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=86","results":[{"id":"mp-1008999","created_at":"2022-09-04T14:47:36.026100Z","structure_string":"La1 Se1\n1.0\n3.713578 0.000000 0.000000\n0.000000 3.713578 0.000000\n0.000000 0.000000 3.713578\nLa Se\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Se\n","nsites":2,"nelements":2,"elements":["La","Se"],"chemical_system":"La-Se","density":7.064148984319927,"density_atomic":0.039052815067837046,"volume":51.21269738240078,"volume_molar":15.420503616805053,"formula_full":"La1 Se1","formula_reduced":"LaSe","formula_anonymous":"AB","energy":-12.40594027,"energy_per_atom":-6.202970135,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.93394027,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.5226202,"is_theoretical":true,"updated_at":"2021-11-28T01:38:12.338000Z","spacegroup":221},{"id":"mp-1018061","created_at":"2022-09-04T14:48:07.155052Z","structure_string":"Fe1 H3\n1.0\n2.611558 0.000000 0.000000\n0.000000 2.611558 0.000000\n0.000000 0.000000 2.611558\nFe H\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n","nsites":4,"nelements":2,"elements":["Fe","H"],"chemical_system":"Fe-H","density":5.48826915184629,"density_atomic":0.22457477063481782,"volume":17.811439765441953,"volume_molar":2.681574935143821,"formula_full":"Fe1 H3","formula_reduced":"FeH3","formula_anonymous":"AB3","energy":-18.05953845,"energy_per_atom":-4.5148846125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.52253845,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.6534773,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.665000Z","spacegroup":221},{"id":"mp-1183713","created_at":"2022-09-04T14:47:36.529275Z","structure_string":"Ce1 H3\n1.0\n-1.814847 1.814847 3.024474\n1.814847 -1.814847 3.024474\n1.814847 1.814847 -3.024474\nCe H\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.500000 H\n0.250000 0.750000 0.500000 H\n0.500000 0.500000 0.000000 H\n","nsites":4,"nelements":2,"elements":["Ce","H"],"chemical_system":"Ce-H","density":5.965126825277806,"density_atomic":0.10038529713252127,"volume":39.84647268334022,"volume_molar":5.999026682214243,"formula_full":"Ce1 H3","formula_reduced":"CeH3","formula_anonymous":"AB3","energy":-18.51758723,"energy_per_atom":-4.6293968075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.98058723,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9942423,"is_theoretical":true,"updated_at":"2021-11-28T01:38:15.608000Z","spacegroup":139},{"id":"mp-1186721","created_at":"2022-09-04T14:47:29.550178Z","structure_string":"Pr6 Lu2\n1.0\n3.671982 -6.360059 0.000000\n3.671982 6.360059 0.000000\n0.000000 0.000000 5.981635\nPr Lu\n6 2\ndirect\n0.168670 0.337341 0.250000 Pr\n0.662659 0.831330 0.250000 Pr\n0.168670 0.831330 0.250000 Pr\n0.831330 0.662659 0.750000 Pr\n0.337341 0.168670 0.750000 Pr\n0.831330 0.168670 0.750000 Pr\n0.333333 0.666667 0.750000 Lu\n0.666667 0.333333 0.250000 Lu\n","nsites":8,"nelements":2,"elements":["Pr","Lu"],"chemical_system":"Lu-Pr","density":7.104662530920018,"density_atomic":0.0286337609178698,"volume":279.39047276906433,"volume_molar":21.031609425228154,"formula_full":"Pr6 Lu2","formula_reduced":"Pr3Lu","formula_anonymous":"AB3","energy":-37.51647632,"energy_per_atom":-4.68955954,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.51647632,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0297783,"is_theoretical":true,"updated_at":"2021-11-28T01:38:04.696000Z","spacegroup":194},{"id":"mp-27173","created_at":"2022-09-04T14:47:29.719156Z","structure_string":"P12 Ru3\n1.0\n4.745805 0.000000 0.000000\n-1.304652 7.082632 0.000000\n-0.047970 -2.795129 7.045159\nP Ru\n12 3\ndirect\n0.608530 0.831377 0.768562 P\n0.391470 0.168623 0.231438 P\n0.794667 0.295966 0.124626 P\n0.598699 0.368185 0.900764 P\n0.401301 0.631815 0.099236 P\n0.177638 0.162245 0.785501 P\n0.822362 0.837755 0.214499 P\n0.272614 0.427345 0.451347 P\n0.727386 0.572655 0.548653 P\n0.659278 0.085918 0.437352 P\n0.340722 0.914082 0.562648 P\n0.205333 0.704034 0.875374 P\n0.058486 0.626557 0.328462 Ru\n0.941514 0.373443 0.671538 Ru\n0.000000 0.000000 0.000000 Ru\n","nsites":15,"nelements":2,"elements":["P","Ru"],"chemical_system":"P-Ru","density":4.732493595901311,"density_atomic":0.06334260109189307,"volume":236.80745251113126,"volume_molar":9.507252080260319,"formula_full":"P12 Ru3","formula_reduced":"P4Ru","formula_anonymous":"AB4","energy":-99.49047901,"energy_per_atom":-6.632698600666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-99.49047901,"band_gap":1.2586000000000013,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0045022,"is_theoretical":false,"updated_at":"2021-11-28T01:38:12.267000Z","spacegroup":2},{"id":"mp-1185104","created_at":"2022-09-04T14:47:36.711565Z","structure_string":"K1 In3\n1.0\n0.000000 3.911799 3.911799\n3.911799 0.000000 3.911799\n3.911799 3.911799 0.000000\nK In\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.750000 0.750000 In\n0.250000 0.250000 0.250000 In\n0.500000 0.500000 0.500000 In\n","nsites":4,"nelements":2,"elements":["K","In"],"chemical_system":"In-K","density":5.320030218744051,"density_atomic":0.03341184066506905,"volume":119.71803768901201,"volume_molar":18.023971861855387,"formula_full":"K1 In3","formula_reduced":"KIn3","formula_anonymous":"AB3","energy":-9.47632707,"energy_per_atom":-2.3690817675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.47632707,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004027,"is_theoretical":true,"updated_at":"2021-11-28T01:38:15.003000Z","spacegroup":225},{"id":"mp-624668","created_at":"2022-09-04T14:47:29.643499Z","structure_string":"Ba2 Sb4\n1.0\n4.483806 0.000000 0.000000\n0.000000 5.239172 0.000000\n0.000000 1.923195 9.331109\nBa Sb\n2 4\ndirect\n0.250000 0.580869 0.285548 Ba\n0.750000 0.419131 0.714452 Ba\n0.250000 0.960369 0.604289 Sb\n0.750000 0.039631 0.395711 Sb\n0.250000 0.168539 0.022406 Sb\n0.750000 0.831461 0.977594 Sb\n","nsites":6,"nelements":2,"elements":["Ba","Sb"],"chemical_system":"Ba-Sb","density":5.77014729088774,"density_atomic":0.02737212518701764,"volume":219.2011018145477,"volume_molar":22.00099816457163,"formula_full":"Ba2 Sb4","formula_reduced":"BaSb2","formula_anonymous":"AB2","energy":-25.44694376,"energy_per_atom":-4.241157293333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.67894376,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0046961,"is_theoretical":false,"updated_at":"2021-11-28T01:38:16.146000Z","spacegroup":11},{"id":"mp-2755","created_at":"2022-09-04T14:47:29.432448Z","structure_string":"Si1 Te2\n1.0\n1.894677 -3.281677 0.000000\n1.894677 3.281677 0.000000\n0.000000 0.000000 7.197909\nSi Te\n1 2\ndirect\n0.000000 0.000000 0.000000 Si\n0.333333 0.666667 0.772740 Te\n0.666667 0.333333 0.227260 Te\n","nsites":3,"nelements":2,"elements":["Si","Te"],"chemical_system":"Si-Te","density":5.255403661801773,"density_atomic":0.03351613190183774,"volume":89.50913574354043,"volume_molar":17.96788715845159,"formula_full":"Si1 Te2","formula_reduced":"SiTe2","formula_anonymous":"AB2","energy":-12.42501398,"energy_per_atom":-4.141671326666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.58101398,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024389,"is_theoretical":false,"updated_at":"2021-11-28T01:38:14.092000Z","spacegroup":164},{"id":"mp-713","created_at":"2022-09-04T14:47:29.507143Z","structure_string":"K8 As8\n1.0\n6.561307 0.000000 0.000000\n0.000000 6.803489 0.000000\n0.000000 0.000000 11.761601\nK As\n8 8\ndirect\n0.833712 0.351951 0.711007 K\n0.333712 0.148049 0.288993 K\n0.166288 0.851951 0.788993 K\n0.666288 0.648049 0.211007 K\n0.099625 0.606331 0.419096 K\n0.599625 0.893669 0.580904 K\n0.900375 0.106331 0.080904 K\n0.400375 0.393669 0.919096 K\n0.592859 0.435150 0.466898 As\n0.092859 0.064850 0.533102 As\n0.407141 0.935150 0.033102 As\n0.907141 0.564850 0.966898 As\n0.332156 0.319479 0.611644 As\n0.832156 0.180521 0.388356 As\n0.667844 0.819479 0.888356 As\n0.167844 0.680521 0.111644 As\n","nsites":16,"nelements":2,"elements":["K","As"],"chemical_system":"As-K","density":2.8849032457710058,"density_atomic":0.03047414255058584,"volume":525.0352810892267,"volume_molar":19.76147729178431,"formula_full":"K8 As8","formula_reduced":"KAs","formula_anonymous":"AB","energy":-53.41267752,"energy_per_atom":-3.338292345,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.41267752,"band_gap":0.6695,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0010839,"is_theoretical":false,"updated_at":"2021-11-28T01:38:11.210000Z","spacegroup":19},{"id":"mp-1102883","created_at":"2022-09-04T14:47:29.591532Z","structure_string":"Y4 O8\n1.0\n5.621322 0.000000 -3.409908\n0.000000 6.167901 0.000000\n-0.363498 0.000000 6.577161\nY O\n4 8\ndirect\n0.248857 0.377378 0.497469 Y\n0.751143 0.877378 0.002531 Y\n0.751143 0.622622 0.502531 Y\n0.248857 0.122622 0.997469 Y\n0.454886 0.130983 0.800843 O\n0.545114 0.630983 0.699157 O\n0.545114 0.869017 0.199157 O\n0.454886 0.369017 0.300843 O\n0.033748 0.356308 0.684288 O\n0.966252 0.856308 0.815712 O\n0.966252 0.643692 0.315712 O\n0.033748 0.143692 0.184288 O\n","nsites":12,"nelements":2,"elements":["Y","O"],"chemical_system":"O-Y","density":3.6437376664027235,"density_atomic":0.05444728832308978,"volume":220.39665095517879,"volume_molar":11.060497125705627,"formula_full":"Y4 O8","formula_reduced":"YO2","formula_anonymous":"AB2","energy":-101.35047656999998,"energy_per_atom":-8.4458730475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.85447657,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9997963,"is_theoretical":false,"updated_at":"2021-11-28T01:38:12.991000Z","spacegroup":14},{"id":"mp-30703","created_at":"2022-09-04T14:47:29.371581Z","structure_string":"Hf22 Ga20\n1.0\n-5.182037 5.182037 7.382499\n5.182037 -5.182037 7.382499\n5.182037 5.182037 -7.382499\nHf Ga\n22 20\ndirect\n0.321367 0.321367 0.000000 Hf\n0.678633 0.678633 0.000000 Hf\n0.174818 0.174818 0.349636 Hf\n0.174818 0.825182 0.000000 Hf\n0.825182 0.174818 0.000000 Hf\n0.825182 0.825182 0.650364 Hf\n0.438844 0.188086 0.250758 Hf\n0.188086 0.937328 0.749242 Hf\n0.188086 0.438844 0.250758 Hf\n0.561156 0.811914 0.749242 Hf\n0.062672 0.811914 0.250758 Hf\n0.811914 0.062672 0.250758 Hf\n0.811914 0.561156 0.749242 Hf\n0.937328 0.188086 0.749242 Hf\n0.729922 0.396371 0.333551 Hf\n0.396371 0.062820 0.666449 Hf\n0.396371 0.729922 0.333551 Hf\n0.270078 0.603629 0.666449 Hf\n0.937180 0.603629 0.333551 Hf\n0.603629 0.937180 0.333551 Hf\n0.603629 0.270078 0.666449 Hf\n0.062820 0.396371 0.666449 Hf\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.107566 0.107566 0.000000 Ga\n0.892434 0.892434 0.000000 Ga\n0.372563 0.372563 0.745126 Ga\n0.372563 0.627437 0.000000 Ga\n0.627437 0.372563 0.000000 Ga\n0.627437 0.627437 0.254874 Ga\n0.000000 0.356836 0.356836 Ga\n0.356836 0.000000 0.356836 Ga\n0.643164 0.000000 0.643164 Ga\n0.000000 0.643164 0.643164 Ga\n0.533147 0.533147 0.412786 Ga\n0.533147 0.120361 0.000000 Ga\n0.120361 0.533147 0.000000 Ga\n0.466853 0.879639 0.000000 Ga\n0.879639 0.466853 0.000000 Ga\n0.879639 0.879639 0.412786 Ga\n0.466853 0.466853 0.587214 Ga\n0.120361 0.120361 0.587214 Ga\n","nsites":42,"nelements":2,"elements":["Hf","Ga"],"chemical_system":"Ga-Hf","density":11.142882148421224,"density_atomic":0.052964500780064205,"volume":792.9839681564367,"volume_molar":11.370145420622427,"formula_full":"Hf22 Ga20","formula_reduced":"Hf11Ga10","formula_anonymous":"A10B11","energy":-300.31283807,"energy_per_atom":-7.150305668333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-300.31283807,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0041369,"is_theoretical":false,"updated_at":"2021-11-28T01:38:14.258000Z","spacegroup":139},{"id":"mp-540943","created_at":"2022-09-04T14:47:29.409914Z","structure_string":"Se8 Br8\n1.0\n15.241087 0.000000 0.000000\n0.000000 5.318246 0.000000\n0.000000 0.746611 7.665692\nSe Br\n8 8\ndirect\n0.862237 0.954426 0.398281 Se\n0.362237 0.545574 0.601719 Se\n0.137763 0.045574 0.601719 Se\n0.637763 0.454426 0.398281 Se\n0.948656 0.187962 0.210446 Se\n0.448656 0.312038 0.789554 Se\n0.051344 0.812038 0.789554 Se\n0.551344 0.687962 0.210446 Se\n0.860126 0.159889 0.665727 Br\n0.360126 0.340111 0.334273 Br\n0.139874 0.840111 0.334273 Br\n0.639874 0.659889 0.665727 Br\n0.856504 0.508926 0.054592 Br\n0.356504 0.991074 0.945408 Br\n0.143496 0.491074 0.945408 Br\n0.643496 0.008926 0.054592 Br\n","nsites":16,"nelements":2,"elements":["Se","Br"],"chemical_system":"Br-Se","density":3.396478327777847,"density_atomic":0.025750416186469064,"volume":621.349180694308,"volume_molar":23.386576420323735,"formula_full":"Se8 Br8","formula_reduced":"SeBr","formula_anonymous":"AB","energy":-46.78001279,"energy_per_atom":-2.923750799375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.50801279,"band_gap":1.7553,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001007,"is_theoretical":false,"updated_at":"2021-11-28T01:38:11.523000Z","spacegroup":14}]}