{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=28","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=26","results":[{"id":"mp-90","created_at":"2022-09-04T14:44:19.817111Z","structure_string":"Cr2\n1.0\n-1.173244 2.032119 1.659521\n-1.173530 -2.032119 1.659319\n2.346632 0.000247 1.659320\nCr\n2\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n","nsites":2,"nelements":1,"elements":["Cr"],"chemical_system":"Cr","density":7.274080970886649,"density_atomic":0.08424774073719975,"volume":23.73950900640468,"volume_molar":7.148133240492837,"formula_full":"Cr2","formula_reduced":"Cr","formula_anonymous":"A","energy":-19.30609494,"energy_per_atom":-9.65304747,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.30609494,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:36:35.493000Z","spacegroup":229},{"id":"mp-1205417","created_at":"2022-09-04T14:42:02.835197Z","structure_string":"C20\n1.0\n-5.866125 5.866125 3.395937\n5.866125 -5.866125 3.395937\n5.866125 5.866125 -3.395937\nC\n20\ndirect\n0.176967 0.176967 0.353935 C\n0.823033 0.823033 0.646065 C\n0.823033 0.176967 0.000000 C\n0.176967 0.823033 0.000000 C\n0.051530 0.193492 0.245022 C\n0.948470 0.806508 0.754978 C\n0.948470 0.193492 0.141963 C\n0.051530 0.806508 0.858037 C\n0.806508 0.051530 0.858037 C\n0.193492 0.948470 0.141963 C\n0.193492 0.051530 0.245022 C\n0.806508 0.948470 0.754978 C\n0.050764 0.050764 0.457340 C\n0.593424 0.593424 0.542660 C\n0.593424 0.050764 0.000000 C\n0.050764 0.593424 0.000000 C\n0.949236 0.949236 0.542660 C\n0.406576 0.406576 0.457340 C\n0.406576 0.949236 0.000000 C\n0.949236 0.406576 0.000000 C\n","nsites":20,"nelements":1,"elements":["C"],"chemical_system":"C","density":0.8533460260430631,"density_atomic":0.0427865976803506,"volume":467.4360917737761,"volume_molar":14.07482970482979,"formula_full":"C20","formula_reduced":"C","formula_anonymous":"A","energy":-161.20052821,"energy_per_atom":-8.060026410499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-161.20052821,"band_gap":4.1977,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.32e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:39.085000Z","spacegroup":139},{"id":"mp-1007976","created_at":"2022-09-04T14:43:52.654815Z","structure_string":"Cs4\n1.0\n5.443964 0.000000 0.000000\n0.000000 8.237741 0.000000\n0.000000 0.000000 10.367185\nCs\n4\ndirect\n0.839231 0.750000 0.868113 Cs\n0.660769 0.750000 0.368113 Cs\n0.160769 0.250000 0.131887 Cs\n0.339231 0.250000 0.631887 Cs\n","nsites":4,"nelements":1,"elements":["Cs"],"chemical_system":"Cs","density":1.8987494400804725,"density_atomic":0.008603511922664267,"volume":464.92642027528126,"volume_molar":69.99630864851655,"formula_full":"Cs4","formula_reduced":"Cs","formula_anonymous":"A","energy":-3.36194312,"energy_per_atom":-0.84048578,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.36194312,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0342039,"is_theoretical":false,"updated_at":"2021-11-28T01:36:28.015000Z","spacegroup":62},{"id":"mp-1076920","created_at":"2022-09-04T14:44:23.994667Z","structure_string":"U1\n1.0\n1.433069 -2.482148 0.000000\n1.433069 2.482148 0.000000\n0.000000 0.000000 2.832045\nU\n1\ndirect\n0.000000 0.000000 0.000000 U\n","nsites":1,"nelements":1,"elements":["U"],"chemical_system":"U","density":19.617961832382314,"density_atomic":0.04963352040713929,"volume":20.147674228970466,"volume_molar":12.13321301934846,"formula_full":"U1","formula_reduced":"U","formula_anonymous":"A","energy":-10.90615872,"energy_per_atom":-10.90615872,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.90615872,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004642,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.155000Z","spacegroup":191},{"id":"mp-1120774","created_at":"2022-09-04T14:43:38.981899Z","structure_string":"Cu6\n1.0\n-1.270300 -2.200224 0.000000\n-1.270300 2.200224 0.000000\n0.000000 0.000000 -24.743942\nCu\n6\ndirect\n0.666666 0.333334 0.917500 Cu\n0.000000 0.000000 0.001891 Cu\n0.333334 0.666666 0.833621 Cu\n0.666666 0.333334 0.665834 Cu\n0.000000 0.000000 0.749712 Cu\n0.333334 0.666666 0.581442 Cu\n","nsites":6,"nelements":1,"elements":["Cu"],"chemical_system":"Cu","density":4.577374921390166,"density_atomic":0.04337896342402604,"volume":138.31589153826613,"volume_molar":13.882629469805526,"formula_full":"Cu6","formula_reduced":"Cu","formula_anonymous":"A","energy":-23.64053925,"energy_per_atom":-3.940089875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.64053925,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.4e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:23.404000Z","spacegroup":164},{"id":"mp-754514","created_at":"2022-09-04T14:39:38.916775Z","structure_string":"N2\n1.0\n-1.083636 1.692473 3.886485\n1.083636 -1.692473 3.886485\n1.083636 1.692473 -3.886485\nN\n2\ndirect\n0.605821 0.250000 0.355821 N\n0.394179 0.750000 0.644179 N\n","nsites":2,"nelements":1,"elements":["N"],"chemical_system":"N","density":1.6315213420227785,"density_atomic":0.07014679530510878,"volume":28.511637506757776,"volume_molar":8.58505471818954,"formula_full":"N2","formula_reduced":"N","formula_anonymous":"A","energy":-14.59734601,"energy_per_atom":-7.298673005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.59734601,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.24e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:35.763000Z","spacegroup":74},{"id":"mp-639727","created_at":"2022-09-04T14:42:26.535587Z","structure_string":"Cs4\n1.0\n2.737034 -4.740682 0.000000\n2.737034 4.740682 0.000000\n0.000000 0.000000 17.755878\nCs\n4\ndirect\n0.000000 0.000000 0.000000 Cs\n0.333333 0.666667 0.250000 Cs\n0.000000 0.000000 0.500000 Cs\n0.666667 0.333333 0.750000 Cs\n","nsites":4,"nelements":1,"elements":["Cs"],"chemical_system":"Cs","density":1.9158377244386975,"density_atomic":0.008680941442910832,"volume":460.7795164044728,"volume_molar":69.37197767781161,"formula_full":"Cs4","formula_reduced":"Cs","formula_anonymous":"A","energy":-3.47676184,"energy_per_atom":-0.86919046,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.47676184,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0110273,"is_theoretical":false,"updated_at":"2021-11-28T01:35:45.431000Z","spacegroup":194},{"id":"mp-1193227","created_at":"2022-09-04T14:43:08.956862Z","structure_string":"Co28\n1.0\n8.367035 0.000000 0.000000\n0.000000 8.367035 0.000000\n0.000000 0.000000 4.555476\nCo\n28\ndirect\n0.905962 0.094038 0.500000 Co\n0.094038 0.905962 0.500000 Co\n0.405962 0.405962 0.000000 Co\n0.594038 0.594038 0.000000 Co\n0.973270 0.361966 0.500000 Co\n0.026730 0.638034 0.500000 Co\n0.473270 0.138034 0.000000 Co\n0.526730 0.861966 0.000000 Co\n0.361966 0.973270 0.500000 Co\n0.638034 0.026730 0.500000 Co\n0.138034 0.473270 0.000000 Co\n0.861966 0.526730 0.000000 Co\n0.251739 0.444409 0.500000 Co\n0.748261 0.555591 0.500000 Co\n0.751739 0.055591 0.000000 Co\n0.248261 0.944409 0.000000 Co\n0.444409 0.251739 0.500000 Co\n0.555591 0.748261 0.500000 Co\n0.055591 0.751739 0.000000 Co\n0.944409 0.248261 0.000000 Co\n0.686348 0.313652 0.249566 Co\n0.313652 0.686348 0.249566 Co\n0.186348 0.186348 0.749566 Co\n0.813652 0.813652 0.749566 Co\n0.313652 0.686348 0.750434 Co\n0.686348 0.313652 0.750434 Co\n0.813652 0.813652 0.250434 Co\n0.186348 0.186348 0.250434 Co\n","nsites":28,"nelements":1,"elements":["Co"],"chemical_system":"Co","density":8.591919137745206,"density_atomic":0.0877972871891984,"volume":318.91645968128284,"volume_molar":6.859142181719821,"formula_full":"Co28","formula_reduced":"Co","formula_anonymous":"A","energy":-195.49535593,"energy_per_atom":-6.9819769974999994,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-195.49535593,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":46.495207,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.629000Z","spacegroup":136},{"id":"mp-630227","created_at":"2022-09-04T14:43:09.698906Z","structure_string":"C60\n1.0\n-4.564359 4.585472 7.585401\n4.564359 -4.585472 7.585401\n4.564359 4.585472 -7.585401\nC\n60\ndirect\n0.235781 0.701088 0.034030 C\n0.332942 0.798249 0.034030 C\n0.360268 0.947356 0.412913 C\n0.917051 0.089496 0.669185 C\n0.082128 0.590078 0.826883 C\n0.917872 0.409922 0.173117 C\n0.579689 0.752134 0.669185 C\n0.323510 0.352175 0.282972 C\n0.667058 0.701088 0.465307 C\n0.764219 0.798249 0.465307 C\n0.069203 0.040537 0.717028 C\n0.930797 0.647825 0.971334 C\n0.769908 0.566097 0.635304 C\n0.639732 0.052644 0.587087 C\n0.465557 0.052644 0.412913 C\n0.774653 0.698435 0.923782 C\n0.082128 0.255244 0.492050 C\n0.917051 0.247866 0.827555 C\n0.930797 0.959463 0.282972 C\n0.667058 0.201751 0.965970 C\n0.534443 0.947356 0.587087 C\n0.676490 0.647825 0.717028 C\n0.239268 0.033940 0.463442 C\n0.911650 0.587976 0.499626 C\n0.323510 0.040537 0.971334 C\n0.088350 0.412024 0.500374 C\n0.930793 0.134604 0.364696 C\n0.069203 0.352175 0.028666 C\n0.676490 0.959463 0.028666 C\n0.760732 0.966060 0.536558 C\n0.429503 0.966060 0.205328 C\n0.239268 0.775826 0.205328 C\n0.420311 0.247866 0.330815 C\n0.082949 0.910504 0.330815 C\n0.760732 0.224174 0.794672 C\n0.917872 0.744756 0.507950 C\n0.236806 0.744756 0.826883 C\n0.069207 0.865396 0.635304 C\n0.088350 0.587976 0.676325 C\n0.332942 0.298912 0.534693 C\n0.930793 0.566097 0.796190 C\n0.420311 0.089496 0.172445 C\n0.429503 0.224174 0.463442 C\n0.570497 0.775826 0.536558 C\n0.236806 0.409922 0.492050 C\n0.763194 0.255244 0.173117 C\n0.230092 0.865396 0.796190 C\n0.570497 0.033940 0.794672 C\n0.230092 0.433903 0.364696 C\n0.579689 0.910504 0.827555 C\n0.769908 0.134604 0.203810 C\n0.774653 0.850871 0.076218 C\n0.763194 0.590078 0.507950 C\n0.225347 0.301565 0.076218 C\n0.069207 0.433903 0.203810 C\n0.764219 0.298912 0.965970 C\n0.911650 0.412024 0.323675 C\n0.082949 0.752134 0.172445 C\n0.235781 0.201751 0.534693 C\n0.225347 0.149129 0.923782 C\n","nsites":60,"nelements":1,"elements":["C"],"chemical_system":"C","density":1.884370470376474,"density_atomic":0.09448195542737846,"volume":635.0418948104617,"volume_molar":6.373852798409523,"formula_full":"C60","formula_reduced":"C","formula_anonymous":"A","energy":-529.98739764,"energy_per_atom":-8.833123294,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-529.98739764,"band_gap":0.8110999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005625,"is_theoretical":false,"updated_at":"2021-11-28T01:36:01.783000Z","spacegroup":71},{"id":"mp-11698","created_at":"2022-09-04T14:43:21.295787Z","structure_string":"Tb3\n1.0\n8.716770 -1.791541 0.000000\n8.716770 1.791541 0.000000\n8.348557 0.000000 3.081117\nTb\n3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.777736 0.777736 0.777736 Tb\n0.222264 0.222264 0.222264 Tb\n","nsites":3,"nelements":1,"elements":["Tb"],"chemical_system":"Tb","density":8.227028549557538,"density_atomic":0.031174588559405778,"volume":96.23222434141351,"volume_molar":19.31746668772968,"formula_full":"Tb3","formula_reduced":"Tb","formula_anonymous":"A","energy":-13.9030983,"energy_per_atom":-4.6343661,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.9030983,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0155498,"is_theoretical":false,"updated_at":"2021-11-28T01:36:13.248000Z","spacegroup":166},{"id":"mp-561203","created_at":"2022-09-04T14:41:25.209730Z","structure_string":"F4\n1.0\n1.827742 3.051473 0.000000\n-1.827742 3.051473 0.000000\n0.000000 0.808542 6.840318\nF\n4\ndirect\n0.085916 0.423979 0.905352 F\n0.576021 0.914084 0.594648 F\n0.914084 0.576021 0.094648 F\n0.423979 0.085916 0.405352 F\n","nsites":4,"nelements":1,"elements":["F"],"chemical_system":"F","density":1.653847564795886,"density_atomic":0.05242389441564177,"volume":76.30108454526636,"volume_molar":11.487396781806364,"formula_full":"F4","formula_reduced":"F","formula_anonymous":"A","energy":-7.64591587,"energy_per_atom":-1.9114789675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.64591587,"band_gap":2.6938,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001012,"is_theoretical":false,"updated_at":"2021-11-28T01:35:20.283000Z","spacegroup":15},{"id":"mp-632291","created_at":"2022-09-04T14:40:34.559165Z","structure_string":"H2\n1.0\n-1.690471 1.690471 2.060270\n1.690471 -1.690471 2.060270\n1.690471 1.690471 -2.060270\nH\n2\ndirect\n0.908965 0.908965 0.000000 H\n0.091035 0.091035 0.000000 H\n","nsites":2,"nelements":1,"elements":["H"],"chemical_system":"H","density":0.1421393070441629,"density_atomic":0.08492399496444408,"volume":23.55047005074783,"volume_molar":7.091212280488389,"formula_full":"H2","formula_reduced":"H","formula_anonymous":"A","energy":-6.78267972,"energy_per_atom":-3.39133986,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.78267972,"band_gap":8.8499,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:59.514000Z","spacegroup":139}]}