{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density_atomic&page=12159","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density_atomic&page=12157","results":[{"id":"mp-23703","created_at":"2022-09-04T14:39:34.145810Z","structure_string":"Li1 H1\n1.0\n0.000000 2.000087 2.000087\n2.000087 0.000000 2.000087\n2.000087 2.000087 0.000000\nLi H\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 H\n","nsites":2,"nelements":2,"elements":["Li","H"],"chemical_system":"H-Li","density":0.824862688740225,"density_atomic":0.12498368891908461,"volume":16.002088090829318,"volume_molar":4.818341346844691,"formula_full":"Li1 H1","formula_reduced":"LiH","formula_anonymous":"AB","energy":-6.29270928,"energy_per_atom":-3.14635464,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.11370928,"band_gap":2.981,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001272,"is_theoretical":false,"updated_at":"2021-11-28T01:34:37.926000Z","spacegroup":225},{"id":"mp-755894","created_at":"2022-09-04T14:43:12.413347Z","structure_string":"Li8 O4\n1.0\n3.140428 0.000000 0.000000\n0.000000 5.151795 0.000000\n0.000000 0.000000 5.933408\nLi O\n8 4\ndirect\n0.250000 0.012245 0.159061 Li\n0.250000 0.141087 0.579208 Li\n0.750000 0.358913 0.079208 Li\n0.750000 0.487755 0.659061 Li\n0.250000 0.512245 0.340939 Li\n0.250000 0.641087 0.920792 Li\n0.750000 0.858913 0.420792 Li\n0.750000 0.987755 0.840939 Li\n0.750000 0.246067 0.398824 O\n0.250000 0.253933 0.898824 O\n0.750000 0.746067 0.101176 O\n0.250000 0.753933 0.601176 O\n","nsites":12,"nelements":2,"elements":["Li","O"],"chemical_system":"Li-O","density":2.067561339913468,"density_atomic":0.125005643208109,"volume":95.99566621182403,"volume_molar":4.817495118979836,"formula_full":"Li8 O4","formula_reduced":"Li2O","formula_anonymous":"AB2","energy":-58.78483267,"energy_per_atom":-4.898736055833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-56.03683267000001,"band_gap":5.2422,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2.42e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.373000Z","spacegroup":62},{"id":"mp-1017530","created_at":"2022-09-04T14:48:09.493621Z","structure_string":"V2 H2\n1.0\n1.367790 -2.369082 0.000000\n1.367790 2.369082 0.000000\n0.000000 0.000000 4.935968\nV H\n2 2\ndirect\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n","nsites":4,"nelements":2,"elements":["V","H"],"chemical_system":"H-V","density":5.393343919991297,"density_atomic":0.1250426424789256,"volume":31.989087248169362,"volume_molar":4.816069654809924,"formula_full":"V2 H2","formula_reduced":"VH","formula_anonymous":"AB","energy":-24.85464322,"energy_per_atom":-6.213660805,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.49664322,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016556,"is_theoretical":true,"updated_at":"2021-11-28T01:38:23.096000Z","spacegroup":194},{"id":"mp-721875","created_at":"2022-09-04T14:40:33.743790Z","structure_string":"Ca2 B4 H16 O16\n1.0\n5.672246 0.000000 0.000000\n2.439134 7.425495 0.000000\n2.327170 2.906278 7.211469\nCa B H O\n2 4 16 16\ndirect\n0.163812 0.229530 0.821385 Ca\n0.836188 0.770470 0.178615 Ca\n0.827715 0.025029 0.769455 B\n0.172285 0.974971 0.230545 B\n0.397230 0.432575 0.280657 B\n0.602770 0.567425 0.719343 B\n0.436170 0.052325 0.298630 H\n0.563830 0.947675 0.701370 H\n0.633202 0.203578 0.920337 H\n0.366798 0.796422 0.079663 H\n0.940217 0.253055 0.547135 H\n0.059783 0.746945 0.452865 H\n0.126278 0.792723 0.796228 H\n0.873722 0.207277 0.203772 H\n0.578377 0.165744 0.431796 H\n0.421623 0.834256 0.568204 H\n0.655304 0.543359 0.050457 H\n0.344696 0.456641 0.949543 H\n0.540915 0.599613 0.480689 H\n0.459085 0.400387 0.519311 H\n0.866375 0.634185 0.801426 H\n0.133625 0.365815 0.198574 H\n0.597415 0.068922 0.694419 O\n0.402585 0.931078 0.305581 O\n0.766166 0.082504 0.935238 O\n0.233834 0.917496 0.064762 O\n0.021313 0.129357 0.632172 O\n0.978687 0.870643 0.367828 O\n0.059642 0.186631 0.158586 O\n0.940358 0.813369 0.841414 O\n0.547126 0.232684 0.302820 O\n0.452874 0.767316 0.697180 O\n0.431646 0.426027 0.837566 O\n0.568354 0.573973 0.162434 O\n0.306938 0.452567 0.463450 O\n0.693062 0.547433 0.536550 O\n0.183757 0.482428 0.186965 O\n0.816243 0.517572 0.813035 O\n","nsites":38,"nelements":4,"elements":["Ca","B","H","O"],"chemical_system":"B-Ca-H-O","density":2.1622730085588193,"density_atomic":0.1251063599360914,"volume":303.7415525430657,"volume_molar":4.8136168001980995,"formula_full":"Ca2 B4 H16 O16","formula_reduced":"CaB2(HO)8","formula_anonymous":"AB2C8D8","energy":-237.32521543,"energy_per_atom":-6.245400406052632,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-226.33321543,"band_gap":5.4176,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009481,"is_theoretical":false,"updated_at":"2021-11-28T01:35:01.453000Z","spacegroup":2},{"id":"mp-24135","created_at":"2022-09-04T14:46:14.810347Z","structure_string":"Al4 H72 Ru4 N24 F24\n1.0\n10.074215 0.000000 0.000000\n0.000000 10.074215 0.000000\n0.000000 0.000000 10.074215\nAl H Ru N F\n4 72 4 24 24\ndirect\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.896052 0.242377 0.448109 H\n0.396052 0.257623 0.551891 H\n0.103948 0.742377 0.051891 H\n0.257623 0.551891 0.396052 H\n0.051891 0.103948 0.742377 H\n0.551891 0.396052 0.257623 H\n0.242377 0.448109 0.896052 H\n0.448109 0.896052 0.242377 H\n0.742377 0.051891 0.103948 H\n0.757623 0.948109 0.603948 H\n0.948109 0.603948 0.757623 H\n0.603948 0.757623 0.948109 H\n0.103948 0.757623 0.551891 H\n0.603948 0.742377 0.448109 H\n0.896052 0.257623 0.948109 H\n0.742377 0.448109 0.603948 H\n0.948109 0.896052 0.257623 H\n0.448109 0.603948 0.742377 H\n0.757623 0.551891 0.103948 H\n0.551891 0.103948 0.757623 H\n0.257623 0.948109 0.896052 H\n0.242377 0.051891 0.396052 H\n0.051891 0.396052 0.242377 H\n0.396052 0.242377 0.051891 H\n0.773800 0.132936 0.457264 H\n0.273800 0.367064 0.542736 H\n0.226200 0.632936 0.042736 H\n0.367064 0.542736 0.273800 H\n0.042736 0.226200 0.632936 H\n0.542736 0.273800 0.367064 H\n0.132936 0.457264 0.773800 H\n0.642420 0.178640 0.129451 H\n0.457264 0.773800 0.132936 H\n0.867064 0.957264 0.726200 H\n0.957264 0.726200 0.867064 H\n0.726200 0.867064 0.957264 H\n0.226200 0.867064 0.542736 H\n0.726200 0.632936 0.457264 H\n0.773800 0.367064 0.957264 H\n0.632936 0.457264 0.726200 H\n0.957264 0.773800 0.367064 H\n0.457264 0.726200 0.632936 H\n0.867064 0.542736 0.226200 H\n0.542736 0.226200 0.867064 H\n0.367064 0.957264 0.773800 H\n0.132936 0.042736 0.273800 H\n0.042736 0.273800 0.132936 H\n0.273800 0.132936 0.042736 H\n0.870549 0.142420 0.321360 H\n0.370549 0.357580 0.678640 H\n0.129451 0.642420 0.178640 H\n0.357580 0.678640 0.370549 H\n0.178640 0.129451 0.642420 H\n0.678640 0.370549 0.357580 H\n0.142420 0.321360 0.870549 H\n0.321360 0.870549 0.142420 H\n0.370549 0.142420 0.178640 H\n0.178640 0.370549 0.142420 H\n0.142420 0.178640 0.370549 H\n0.357580 0.821360 0.870549 H\n0.678640 0.129451 0.857580 H\n0.857580 0.678640 0.129451 H\n0.321360 0.629451 0.642420 H\n0.821360 0.870549 0.357580 H\n0.642420 0.321360 0.629451 H\n0.870549 0.357580 0.821360 H\n0.629451 0.642420 0.321360 H\n0.129451 0.857580 0.678640 H\n0.629451 0.857580 0.821360 H\n0.821360 0.629451 0.857580 H\n0.857580 0.821360 0.629451 H\n0.632936 0.042736 0.226200 H\n0.500000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.869655 0.146820 0.423447 N\n0.369655 0.353180 0.576553 N\n0.130345 0.646820 0.076553 N\n0.353180 0.576553 0.369655 N\n0.076553 0.130345 0.646820 N\n0.576553 0.369655 0.353180 N\n0.146820 0.423447 0.869655 N\n0.423447 0.869655 0.146820 N\n0.646820 0.076553 0.130345 N\n0.853180 0.923447 0.630345 N\n0.923447 0.630345 0.853180 N\n0.630345 0.853180 0.923447 N\n0.130345 0.853180 0.576553 N\n0.630345 0.646820 0.423447 N\n0.869655 0.353180 0.923447 N\n0.646820 0.423447 0.630345 N\n0.923447 0.869655 0.353180 N\n0.423447 0.630345 0.646820 N\n0.853180 0.576553 0.130345 N\n0.576553 0.130345 0.853180 N\n0.353180 0.923447 0.869655 N\n0.146820 0.076553 0.369655 N\n0.076553 0.369655 0.146820 N\n0.369655 0.146820 0.076553 N\n0.613880 0.130179 0.560097 F\n0.113880 0.369821 0.439903 F\n0.386120 0.630179 0.939903 F\n0.369821 0.439903 0.113880 F\n0.939903 0.386120 0.630179 F\n0.439903 0.113880 0.369821 F\n0.130179 0.560097 0.613880 F\n0.560097 0.613880 0.130179 F\n0.630179 0.939903 0.386120 F\n0.869821 0.060097 0.886120 F\n0.060097 0.886120 0.869821 F\n0.886120 0.869821 0.060097 F\n0.386120 0.869821 0.439903 F\n0.886120 0.630179 0.560097 F\n0.613880 0.369821 0.060097 F\n0.630179 0.560097 0.886120 F\n0.060097 0.613880 0.369821 F\n0.560097 0.886120 0.630179 F\n0.869821 0.439903 0.386120 F\n0.439903 0.386120 0.869821 F\n0.369821 0.060097 0.613880 F\n0.130179 0.939903 0.113880 F\n0.939903 0.113880 0.130179 F\n0.113880 0.130179 0.939903 F\n","nsites":128,"nelements":5,"elements":["Al","H","Ru","N","F"],"chemical_system":"Al-F-H-N-Ru","density":2.236237623953815,"density_atomic":0.12519192695645448,"volume":1022.430144753042,"volume_molar":4.810326757007808,"formula_full":"Al4 H72 Ru4 N24 F24","formula_reduced":"AlH18Ru(NF)6","formula_anonymous":"ABC6D6E18","energy":-694.65278882,"energy_per_atom":-5.42697491265625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-674.90078882,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9905403,"is_theoretical":false,"updated_at":"2021-11-28T01:37:29.123000Z","spacegroup":205},{"id":"mp-1071690","created_at":"2022-09-04T14:42:47.158410Z","structure_string":"Be5 Co1\n1.0\n0.000000 2.882891 2.882891\n2.882891 0.000000 2.882891\n2.882891 2.882891 0.000000\nBe Co\n5 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.625585 0.625585 0.123245 Be\n0.625585 0.123245 0.625585 Be\n0.123245 0.625585 0.625585 Be\n0.625585 0.625585 0.625585 Be\n0.000000 0.000000 0.000000 Co\n","nsites":6,"nelements":2,"elements":["Be","Co"],"chemical_system":"Be-Co","density":3.6036545832340012,"density_atomic":0.1252093000357315,"volume":47.91976313490895,"volume_molar":4.809659313071342,"formula_full":"Be5 Co1","formula_reduced":"Be5Co","formula_anonymous":"AB5","energy":-26.9565204,"energy_per_atom":-4.4927534,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.9565204,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.1097801,"is_theoretical":false,"updated_at":"2021-11-28T01:36:09.495000Z","spacegroup":216},{"id":"mp-1201129","created_at":"2022-09-04T14:41:49.876635Z","structure_string":"Dy2 Al2 B28\n1.0\n-2.956223 4.127025 5.236322\n2.956223 -4.127025 5.236322\n2.956223 4.127025 -5.236322\nDy Al B\n2 2 28\ndirect\n0.598456 0.250000 0.348456 Dy\n0.401544 0.750000 0.651544 Dy\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.633739 0.667433 0.966307 B\n0.366261 0.332567 0.033693 B\n0.201126 0.167433 0.033693 B\n0.798874 0.832567 0.966307 B\n0.769867 0.143740 0.626127 B\n0.230133 0.856260 0.373873 B\n0.017613 0.643740 0.373873 B\n0.982387 0.356260 0.626127 B\n0.923391 0.090154 0.833237 B\n0.076609 0.909846 0.166763 B\n0.756917 0.590154 0.166763 B\n0.243083 0.409846 0.833237 B\n0.398418 0.398297 0.675622 B\n0.601582 0.277204 0.999879 B\n0.222675 0.898297 0.999879 B\n0.777325 0.777204 0.675622 B\n0.601582 0.601703 0.324378 B\n0.398418 0.722796 0.000121 B\n0.777325 0.101703 0.000121 B\n0.222675 0.222796 0.324378 B\n0.031521 0.831938 0.703947 B\n0.968479 0.672427 0.800417 B\n0.627990 0.331938 0.800417 B\n0.372010 0.172427 0.703947 B\n0.968479 0.168062 0.296053 B\n0.031521 0.327573 0.199583 B\n0.372010 0.668062 0.199583 B\n0.627990 0.827573 0.296053 B\n","nsites":32,"nelements":3,"elements":["Dy","Al","B"],"chemical_system":"Al-B-Dy","density":4.429588035671672,"density_atomic":0.12522451281185842,"volume":255.54102213260666,"volume_molar":4.809075016365102,"formula_full":"Dy2 Al2 B28","formula_reduced":"DyAlB14","formula_anonymous":"ABC14","energy":-208.93304339,"energy_per_atom":-6.5291576059375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-208.93304339,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.74e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:29.174000Z","spacegroup":74},{"id":"mp-31043","created_at":"2022-09-04T14:46:18.300816Z","structure_string":"H20 N4 F8\n1.0\n3.688130 0.000000 0.000000\n0.000000 8.194199 0.000000\n0.000000 0.000000 8.451510\nH N F\n20 4 8\ndirect\n0.389338 0.796302 0.340132 H\n0.389338 0.703698 0.159868 H\n0.610662 0.296302 0.159868 H\n0.610662 0.203698 0.340132 H\n0.610662 0.203698 0.659868 H\n0.610662 0.296302 0.840132 H\n0.389338 0.703698 0.840132 H\n0.389338 0.796302 0.659868 H\n0.715164 0.842917 0.205690 H\n0.715164 0.657083 0.294310 H\n0.284836 0.342917 0.294310 H\n0.284836 0.157083 0.205690 H\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.500000 H\n0.000000 0.000000 0.500000 H\n0.000000 0.500000 0.000000 H\n0.715164 0.842917 0.794310 H\n0.715164 0.657083 0.705690 H\n0.284836 0.342917 0.705690 H\n0.284836 0.157083 0.794310 H\n0.551744 0.750000 0.750000 N\n0.448256 0.250000 0.750000 N\n0.448256 0.250000 0.250000 N\n0.551744 0.750000 0.250000 N\n0.000000 0.500000 0.363966 F\n0.000000 0.000000 0.136034 F\n0.000000 0.500000 0.636034 F\n0.000000 0.000000 0.863966 F\n0.122570 0.629436 0.000000 F\n0.122570 0.870564 0.500000 F\n0.877430 0.129436 0.500000 F\n0.877430 0.370564 0.000000 F\n","nsites":32,"nelements":3,"elements":["H","N","F"],"chemical_system":"F-H-N","density":1.4834263217193575,"density_atomic":0.12528611462584557,"volume":255.4153754034499,"volume_molar":4.806710446711929,"formula_full":"H20 N4 F8","formula_reduced":"H5NF2","formula_anonymous":"AB2C5","energy":-157.32010254,"energy_per_atom":-4.916253204375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-152.18010254,"band_gap":6.9008,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0112641,"is_theoretical":false,"updated_at":"2021-11-28T01:37:25.741000Z","spacegroup":53},{"id":"mp-28551","created_at":"2022-09-04T14:43:11.128872Z","structure_string":"H32 C4 N24\n1.0\n10.456981 0.000000 0.000000\n0.000000 6.447628 0.000000\n0.000000 2.557959 7.102340\nH C N\n32 4 24\ndirect\n0.644656 0.332337 0.938479 H\n0.144656 0.167663 0.061521 H\n0.355344 0.667663 0.061521 H\n0.855344 0.832337 0.938479 H\n0.711565 0.089990 0.050692 H\n0.211565 0.410010 0.949308 H\n0.288435 0.910010 0.949308 H\n0.788435 0.589990 0.050692 H\n0.456859 0.074150 0.144289 H\n0.956859 0.425850 0.855711 H\n0.543141 0.925850 0.855711 H\n0.043141 0.574150 0.144289 H\n0.342307 0.041903 0.494601 H\n0.842307 0.458097 0.505399 H\n0.690801 0.707649 0.270218 H\n0.657693 0.958097 0.505399 H\n0.246361 0.217946 0.343955 H\n0.746361 0.282054 0.656045 H\n0.753639 0.782054 0.656045 H\n0.253639 0.717946 0.343955 H\n0.433702 0.385415 0.435730 H\n0.933702 0.114585 0.564270 H\n0.566298 0.614585 0.564270 H\n0.066298 0.885415 0.435730 H\n0.537172 0.704213 0.235608 H\n0.037172 0.795787 0.764392 H\n0.462828 0.295787 0.764392 H\n0.962828 0.204213 0.235608 H\n0.809199 0.207649 0.270218 H\n0.309199 0.292351 0.729782 H\n0.190801 0.792351 0.729782 H\n0.157693 0.541903 0.494601 H\n0.961889 0.805316 0.235894 C\n0.461889 0.694684 0.764106 C\n0.038111 0.194684 0.764106 C\n0.538111 0.305316 0.235894 C\n0.543967 0.139841 0.157936 N\n0.043967 0.360159 0.842064 N\n0.456033 0.860159 0.842064 N\n0.956033 0.639841 0.157936 N\n0.335237 0.148110 0.358600 N\n0.835237 0.351890 0.641400 N\n0.664763 0.851890 0.641400 N\n0.164763 0.648110 0.358600 N\n0.426188 0.320031 0.328169 N\n0.926188 0.179969 0.671831 N\n0.573812 0.679969 0.671831 N\n0.073812 0.820031 0.328169 N\n0.612363 0.605488 0.303409 N\n0.112363 0.894512 0.696591 N\n0.387637 0.394512 0.696591 N\n0.887637 0.105488 0.303409 N\n0.634390 0.441232 0.216174 N\n0.134390 0.058768 0.783826 N\n0.365610 0.558768 0.783826 N\n0.865610 0.941232 0.216174 N\n0.874294 0.666892 0.000965 N\n0.374294 0.833108 0.999035 N\n0.125706 0.333108 0.999035 N\n0.625706 0.166892 0.000965 N\n","nsites":60,"nelements":3,"elements":["H","C","N"],"chemical_system":"C-H-N","density":1.4441497271725987,"density_atomic":0.12529781569000395,"volume":478.85910595955187,"volume_molar":4.806261567160294,"formula_full":"H32 C4 N24","formula_reduced":"H8CN6","formula_anonymous":"AB6C8","energy":-353.70356548,"energy_per_atom":-5.895059424666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-345.03956548,"band_gap":3.6266,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002811,"is_theoretical":false,"updated_at":"2021-11-28T01:36:03.193000Z","spacegroup":14},{"id":"mp-699284","created_at":"2022-09-04T14:47:18.695295Z","structure_string":"Li16 H8 N8\n1.0\n-3.550015 3.564940 5.044472\n3.550015 -3.564940 5.044472\n3.550015 3.564940 -5.044472\nLi H N\n16 8 8\ndirect\n0.367211 0.117211 0.250000 Li\n0.632789 0.882789 0.750000 Li\n0.873563 0.623563 0.250000 Li\n0.126437 0.376437 0.750000 Li\n0.644131 0.394131 0.250000 Li\n0.355869 0.605869 0.750000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.892009 0.151154 0.274271 Li\n0.107991 0.382261 0.259145 Li\n0.376884 0.151154 0.759145 Li\n0.623116 0.382261 0.774271 Li\n0.623116 0.848846 0.240855 Li\n0.376884 0.617739 0.225729 Li\n0.107991 0.848846 0.725729 Li\n0.892009 0.617739 0.740855 Li\n0.199479 0.808520 0.109041 H\n0.800521 0.909563 0.609041 H\n0.199479 0.090437 0.390959 H\n0.800521 0.191480 0.890959 H\n0.887295 0.805432 0.081863 H\n0.112705 0.194568 0.918137 H\n0.223569 0.805432 0.418137 H\n0.776431 0.194568 0.581863 H\n0.741299 0.731119 0.489821 N\n0.258701 0.748522 0.989821 N\n0.741299 0.251478 0.010179 N\n0.258701 0.268881 0.510179 N\n0.728605 0.259384 0.469221 N\n0.271395 0.740616 0.530779 N\n0.290163 0.259384 0.030779 N\n0.709837 0.740616 0.969221 N\n","nsites":32,"nelements":3,"elements":["Li","H","N"],"chemical_system":"H-Li-N","density":1.5032399599199135,"density_atomic":0.1253117682584952,"volume":255.36308716025673,"volume_molar":4.805726424335046,"formula_full":"Li16 H8 N8","formula_reduced":"Li2HN","formula_anonymous":"ABC2","energy":-142.78602644,"energy_per_atom":-4.46206332625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-139.89802644,"band_gap":2.6355,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002708,"is_theoretical":true,"updated_at":"2021-11-28T01:38:02.733000Z","spacegroup":74},{"id":"mp-24154","created_at":"2022-09-04T14:40:37.364899Z","structure_string":"Nb1 H2\n1.0\n0.000000 2.287516 2.287516\n2.287516 0.000000 2.287516\n2.287516 2.287516 0.000000\nNb H\n1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.750000 0.750000 0.750000 H\n0.250000 0.250000 0.250000 H\n","nsites":3,"nelements":2,"elements":["Nb","H"],"chemical_system":"H-Nb","density":6.584074711740193,"density_atomic":0.1253137821481225,"volume":23.939904682263613,"volume_molar":4.805649192585818,"formula_full":"Nb1 H2","formula_reduced":"NbH2","formula_anonymous":"AB2","energy":-17.907383720000002,"energy_per_atom":-5.969127906666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.54938372,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.002957,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.563000Z","spacegroup":225},{"id":"mp-1104289","created_at":"2022-09-04T14:45:54.962776Z","structure_string":"Lu1 B12\n1.0\n0.000000 3.728995 3.728995\n3.728995 0.000000 3.728995\n3.728995 3.728995 0.000000\nLu B\n1 12\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.838086 B\n0.161914 0.500000 0.838086 B\n0.500000 0.161914 0.838086 B\n0.161914 0.838086 0.500000 B\n0.500000 0.838086 0.500000 B\n0.500000 0.838086 0.161914 B\n0.838086 0.161914 0.500000 B\n0.838086 0.500000 0.161914 B\n0.838086 0.500000 0.500000 B\n0.500000 0.500000 0.161914 B\n0.500000 0.161914 0.500000 B\n0.161914 0.500000 0.500000 B\n","nsites":13,"nelements":2,"elements":["Lu","B"],"chemical_system":"B-Lu","density":4.8788192372896875,"density_atomic":0.12535392981145355,"volume":103.70636181532933,"volume_molar":4.804110065841557,"formula_full":"Lu1 B12","formula_reduced":"LuB12","formula_anonymous":"AB12","energy":-87.87639773,"energy_per_atom":-6.759722902307692,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.87639773,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.72e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:10.312000Z","spacegroup":225}]}