{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=27","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=25","results":[{"id":"mp-601273","created_at":"2022-09-04T14:40:16.313226Z","structure_string":"Sc6\n1.0\n1.616966 -2.800667 0.000000\n1.616966 2.800667 0.000000\n0.000000 0.000000 16.385516\nSc\n6\ndirect\n0.529844 0.000000 0.500000 Sc\n0.470156 0.000000 0.000000 Sc\n0.000000 0.470156 0.333333 Sc\n0.470156 0.470156 0.166667 Sc\n0.000000 0.529844 0.833333 Sc\n0.529844 0.529844 0.666667 Sc\n","nsites":6,"nelements":1,"elements":["Sc"],"chemical_system":"Sc","density":3.018107328995218,"density_atomic":0.04042953721031817,"volume":148.40634877385435,"volume_molar":14.895398699896738,"formula_full":"Sc6","formula_reduced":"Sc","formula_anonymous":"A","energy":-37.22857284,"energy_per_atom":-6.20476214,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.22857284,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.5982564,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.478000Z","spacegroup":178},{"id":"mp-568610","created_at":"2022-09-04T14:43:08.370312Z","structure_string":"Bi1\n1.0\n-1.993848 1.993848 1.993848\n1.993848 -1.993848 1.993848\n1.993848 1.993848 -1.993848\nBi\n1\ndirect\n0.000000 0.000000 0.000000 Bi\n","nsites":1,"nelements":1,"elements":["Bi"],"chemical_system":"Bi","density":10.945069438495326,"density_atomic":0.03154015822027858,"volume":31.70561139915447,"volume_molar":19.093565472756875,"formula_full":"Bi1","formula_reduced":"Bi","formula_anonymous":"A","energy":-3.75067891,"energy_per_atom":-3.75067891,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.75067891,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.64e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:16.241000Z","spacegroup":229},{"id":"mp-972256","created_at":"2022-09-04T14:42:15.153334Z","structure_string":"Xe1\n1.0\n4.139024 -2.528659 0.000000\n4.139024 2.528659 0.000000\n2.594187 0.000000 4.098272\nXe\n1\ndirect\n0.000000 0.000000 0.000000 Xe\n","nsites":1,"nelements":1,"elements":["Xe"],"chemical_system":"Xe","density":2.5413921450114025,"density_atomic":0.011656844789064112,"volume":85.78650724921306,"volume_molar":51.66184219635215,"formula_full":"Xe1","formula_reduced":"Xe","formula_anonymous":"A","energy":-0.03617417,"energy_per_atom":-0.03617417,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.03617417,"band_gap":6.3353,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.098000Z","spacegroup":166},{"id":"mp-1245307","created_at":"2022-09-04T14:40:11.239257Z","structure_string":"Al100\n1.0\n12.153519 0.100314 0.547480\n0.104362 12.174805 -0.268294\n0.555563 -0.275799 11.972385\nAl\n100\ndirect\n0.188257 0.892714 0.249337 Al\n0.245212 0.099107 0.173538 Al\n0.860240 0.458646 0.507826 Al\n0.704840 0.777073 0.812432 Al\n0.040338 0.300769 0.766166 Al\n0.797774 0.490674 0.044276 Al\n0.990660 0.471922 0.174093 Al\n0.435545 0.304283 0.632529 Al\n0.942220 0.677847 0.089502 Al\n0.234667 0.165153 0.951660 Al\n0.417502 0.271735 0.869739 Al\n0.520074 0.619094 0.315107 Al\n0.660223 0.935370 0.638127 Al\n0.081389 0.483431 0.416264 Al\n0.091117 0.016523 0.024185 Al\n0.816707 0.295863 0.910998 Al\n0.105778 0.672513 0.256325 Al\n0.368855 0.279310 0.095403 Al\n0.770887 0.075281 0.217687 Al\n0.151968 0.282093 0.298721 Al\n0.734232 0.655370 0.202167 Al\n0.556505 0.893752 0.958253 Al\n0.148568 0.878710 0.842379 Al\n0.307096 0.410794 0.413592 Al\n0.926254 0.323782 0.332043 Al\n0.999460 0.512900 0.683625 Al\n0.774415 0.857734 0.281677 Al\n0.112195 0.070087 0.396348 Al\n0.721609 0.256291 0.408864 Al\n0.231919 0.419766 0.851493 Al\n0.191612 0.625137 0.602846 Al\n0.377413 0.911627 0.120899 Al\n0.603731 0.240531 0.218661 Al\n0.006164 0.766216 0.703781 Al\n0.350158 0.681820 0.138854 Al\n0.580036 0.572239 0.079595 Al\n0.445799 0.085299 0.998799 Al\n0.631056 0.277509 0.796084 Al\n0.003683 0.458409 0.934404 Al\n0.995567 0.133573 0.209059 Al\n0.220188 0.017675 0.605201 Al\n0.388699 0.221423 0.301654 Al\n0.334940 0.799887 0.925399 Al\n0.940605 0.846045 0.918772 Al\n0.285071 0.819064 0.673123 Al\n0.866417 0.063890 0.924717 Al\n0.288384 0.631495 0.381162 Al\n0.533583 0.384438 0.419087 Al\n0.816940 0.816361 0.505744 Al\n0.105643 0.650658 0.852396 Al\n0.891964 0.103050 0.435975 Al\n0.331572 0.024027 0.378352 Al\n0.015054 0.692558 0.492513 Al\n0.241407 0.479213 0.220682 Al\n0.492744 0.830266 0.742302 Al\n0.587920 0.631616 0.672907 Al\n0.598585 0.346179 0.017217 Al\n0.486083 0.461711 0.788145 Al\n0.197386 0.829393 0.468881 Al\n0.450471 0.943770 0.542714 Al\n0.936124 0.914682 0.140892 Al\n0.824136 0.280410 0.136686 Al\n0.386445 0.483007 0.005573 Al\n0.834610 0.347119 0.694861 Al\n0.513613 0.662523 0.902352 Al\n0.505469 0.106219 0.708510 Al\n0.437580 0.715042 0.532854 Al\n0.562959 0.794890 0.168573 Al\n0.009630 0.946455 0.566560 Al\n0.080237 0.081106 0.800893 Al\n0.257639 0.205349 0.729106 Al\n0.160919 0.349043 0.066022 Al\n0.648576 0.408541 0.604440 Al\n0.849510 0.933691 0.736180 Al\n0.750733 0.828128 0.042453 Al\n0.536626 0.023599 0.241892 Al\n0.677704 0.019121 0.424113 Al\n0.873617 0.635279 0.870597 Al\n0.407118 0.512305 0.583920 Al\n0.174150 0.574335 0.038573 Al\n0.254719 0.212058 0.499306 Al\n0.134839 0.795033 0.054816 Al\n0.502831 0.154288 0.471984 Al\n0.324942 0.619475 0.784380 Al\n0.816279 0.641757 0.646227 Al\n0.711644 0.158038 0.609831 Al\n0.917244 0.135843 0.671863 Al\n0.339710 0.999364 0.813568 Al\n0.716681 0.442044 0.270561 Al\n0.682007 0.589266 0.458880 Al\n0.888514 0.616738 0.338861 Al\n0.007127 0.224516 0.988341 Al\n0.028299 0.281862 0.526605 Al\n0.609988 0.803398 0.424836 Al\n0.663982 0.112619 0.021149 Al\n0.468954 0.429257 0.215426 Al\n0.696224 0.506226 0.841830 Al\n0.984892 0.868047 0.353800 Al\n0.200551 0.401122 0.624559 Al\n0.398487 0.818831 0.331264 Al\n","nsites":100,"nelements":1,"elements":["Al"],"chemical_system":"Al","density":2.5359413021109067,"density_atomic":0.05660090668694175,"volume":1766.7561502697754,"volume_molar":10.6396542255203,"formula_full":"Al100","formula_reduced":"Al","formula_anonymous":"A","energy":-363.80262889,"energy_per_atom":-3.6380262889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-363.80262889,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.663000Z","spacegroup":1},{"id":"mp-976411","created_at":"2022-09-04T14:39:46.779491Z","structure_string":"Li4\n1.0\n1.535535 -2.659625 0.000000\n1.535535 2.659625 0.000000\n0.000000 0.000000 9.825363\nLi\n4\ndirect\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 0.250000 Li\n0.000000 0.000000 0.500000 Li\n0.666667 0.333333 0.750000 Li\n","nsites":4,"nelements":1,"elements":["Li"],"chemical_system":"Li","density":0.5744766835932253,"density_atomic":0.04984266608747936,"volume":80.25252888718995,"volume_molar":12.0823006326156,"formula_full":"Li4","formula_reduced":"Li","formula_anonymous":"A","energy":-7.62450131,"energy_per_atom":-1.9061253275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.62450131,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007189,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.452000Z","spacegroup":194},{"id":"mp-1","created_at":"2022-09-04T14:46:54.536581Z","structure_string":"Cs1\n1.0\n-3.055020 3.055020 3.055020\n3.055020 -3.055020 3.055020\n3.055020 3.055020 -3.055020\nCs\n1\ndirect\n0.000000 0.000000 0.000000 Cs\n","nsites":1,"nelements":1,"elements":["Cs"],"chemical_system":"Cs","density":1.9350390306525629,"density_atomic":0.00876794537479071,"volume":114.05180544066401,"volume_molar":68.68360262958124,"formula_full":"Cs1","formula_reduced":"Cs","formula_anonymous":"A","energy":-0.85663276,"energy_per_atom":-0.85663276,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.85663276,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023078,"is_theoretical":false,"updated_at":"2021-11-28T01:37:48.081000Z","spacegroup":229},{"id":"mp-142","created_at":"2022-09-04T14:43:18.369362Z","structure_string":"Ga4\n1.0\n2.265286 -3.875530 0.000000\n2.265286 3.875530 0.000000\n0.000000 0.000000 4.592971\nGa\n4\ndirect\n0.344182 0.655818 0.581037 Ga\n0.655818 0.344182 0.418963 Ga\n0.155818 0.844182 0.081037 Ga\n0.844182 0.155818 0.918963 Ga\n","nsites":4,"nelements":1,"elements":["Ga"],"chemical_system":"Ga","density":5.742583400308233,"density_atomic":0.04960005389132228,"volume":80.6450736679505,"volume_molar":12.141399630724186,"formula_full":"Ga4","formula_reduced":"Ga","formula_anonymous":"A","energy":-12.11238409,"energy_per_atom":-3.0280960225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.11238409,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.28e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:11.965000Z","spacegroup":64},{"id":"mp-1091415","created_at":"2022-09-04T14:41:10.342357Z","structure_string":"Ge8\n1.0\n2.040358 -3.534004 0.000000\n2.040358 3.534004 0.000000\n0.000000 0.000000 13.247926\nGe\n8\ndirect\n0.000000 0.000000 0.406763 Ge\n0.000000 0.000000 0.593237 Ge\n0.000000 0.000000 0.906763 Ge\n0.000000 0.000000 0.093237 Ge\n0.333333 0.666667 0.344290 Ge\n0.666667 0.333333 0.655710 Ge\n0.666667 0.333333 0.844290 Ge\n0.333333 0.666667 0.155710 Ge\n","nsites":8,"nelements":1,"elements":["Ge"],"chemical_system":"Ge","density":5.050840088891539,"density_atomic":0.04187344435857266,"volume":191.0518736288809,"volume_molar":14.381765943185659,"formula_full":"Ge8","formula_reduced":"Ge","formula_anonymous":"A","energy":-36.87456134,"energy_per_atom":-4.6093201675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.87456134,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.71e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:10.096000Z","spacegroup":194},{"id":"mp-160","created_at":"2022-09-04T14:42:45.224810Z","structure_string":"B12\n1.0\n4.416315 -2.449989 0.000000\n4.416315 2.449989 0.000000\n3.057163 0.000000 4.019955\nB\n12\ndirect\n0.654034 0.010308 0.010308 B\n0.010308 0.010308 0.654034 B\n0.010308 0.654034 0.010308 B\n0.989692 0.345966 0.989692 B\n0.345966 0.989692 0.989692 B\n0.989692 0.989692 0.345966 B\n0.630458 0.221130 0.221130 B\n0.221130 0.221130 0.630458 B\n0.221130 0.630458 0.221130 B\n0.778870 0.369542 0.778870 B\n0.369542 0.778870 0.778870 B\n0.778870 0.778870 0.369542 B\n","nsites":12,"nelements":1,"elements":["B"],"chemical_system":"B","density":2.476400292715375,"density_atomic":0.13794497406336956,"volume":86.99120849801606,"volume_molar":4.365610853813008,"formula_full":"B12","formula_reduced":"B","formula_anonymous":"A","energy":-80.15270125,"energy_per_atom":-6.679391770833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.15270125,"band_gap":1.4333999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002856,"is_theoretical":false,"updated_at":"2021-11-28T01:35:59.369000Z","spacegroup":166},{"id":"mp-12957","created_at":"2022-09-04T14:42:13.769954Z","structure_string":"O8\n1.0\n3.110107 4.377428 0.000000\n-3.110107 4.377428 0.000000\n0.000000 1.908312 3.953345\nO\n8\ndirect\n0.726541 0.213911 0.155391 O\n0.786089 0.273459 0.844609 O\n0.273459 0.786089 0.844609 O\n0.213911 0.726541 0.155391 O\n0.792252 0.792252 0.178320 O\n0.207748 0.207748 0.821680 O\n0.851778 0.851778 0.867359 O\n0.148222 0.148222 0.132641 O\n","nsites":8,"nelements":1,"elements":["O"],"chemical_system":"O","density":1.9744844912403197,"density_atomic":0.07431918408687412,"volume":107.6438082346079,"volume_molar":8.103077064140699,"formula_full":"O8","formula_reduced":"O","formula_anonymous":"A","energy":-39.58368804,"energy_per_atom":-4.947961005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.58368804,"band_gap":1.1346,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.6e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:40.503000Z","spacegroup":12},{"id":"mp-567826","created_at":"2022-09-04T14:44:12.885644Z","structure_string":"Sr4\n1.0\n-4.035574 4.035574 3.570980\n4.035574 -4.035574 3.570980\n4.035574 4.035574 -3.570980\nSr\n4\ndirect\n0.670244 0.170244 0.840489 Sr\n0.329756 0.829756 0.159511 Sr\n0.829756 0.670244 0.500000 Sr\n0.170244 0.329756 0.500000 Sr\n","nsites":4,"nelements":1,"elements":["Sr"],"chemical_system":"Sr","density":2.501809848326379,"density_atomic":0.01719499094565428,"volume":232.6258857967545,"volume_molar":35.02264571719351,"formula_full":"Sr4","formula_reduced":"Sr","formula_anonymous":"A","energy":-6.164629,"energy_per_atom":-1.54115725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.164629,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0047474,"is_theoretical":false,"updated_at":"2021-11-28T01:36:30.725000Z","spacegroup":140},{"id":"mp-121","created_at":"2022-09-04T14:43:08.297363Z","structure_string":"Hg1\n1.0\n2.568470 -1.873816 0.000000\n2.568470 1.873816 0.000000\n1.201436 0.000000 2.943599\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n","nsites":1,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":11.755694544915189,"density_atomic":0.035293108981259515,"volume":28.334143090964176,"volume_molar":17.063219800776775,"formula_full":"Hg1","formula_reduced":"Hg","formula_anonymous":"A","energy":-0.27636913,"energy_per_atom":-0.27636913,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.27636913,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.66e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:00.748000Z","spacegroup":166}]}