{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=108","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=106","results":[{"id":"mp-1039659","created_at":"2022-09-04T14:45:59.085650Z","structure_string":"Ce2 Mg4\n1.0\n1.589629 6.396817 0.000000\n-1.589629 6.396817 0.000000\n0.000000 2.475360 7.469002\nCe Mg\n2 4\ndirect\n0.597148 0.597148 0.306503 Ce\n0.958429 0.958429 0.581193 Ce\n0.995915 0.995915 0.997264 Mg\n0.329856 0.329856 0.323798 Mg\n0.673985 0.673985 0.678105 Mg\n0.278001 0.278001 0.946469 Mg\n","nsites":6,"nelements":2,"elements":["Ce","Mg"],"chemical_system":"Ce-Mg","density":4.126278654386184,"density_atomic":0.0395001709572888,"volume":151.89807675738288,"volume_molar":15.24585999010407,"formula_full":"Ce2 Mg4","formula_reduced":"CeMg2","formula_anonymous":"AB2","energy":-18.1173941,"energy_per_atom":-3.019565683333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.1173941,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.009704,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.665000Z","spacegroup":8},{"id":"mp-761020","created_at":"2022-09-04T14:45:58.884812Z","structure_string":"Co8 O4 F12\n1.0\n3.127379 4.662938 0.000000\n-3.127379 4.662938 0.000000\n0.000000 4.092379 9.293674\nCo O F\n8 4 12\ndirect\n0.617163 0.132753 0.253562 Co\n0.382837 0.867247 0.746438 Co\n0.760057 0.760057 0.018186 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.132753 0.617163 0.253562 Co\n0.867247 0.382837 0.746438 Co\n0.239943 0.239943 0.981814 Co\n0.426476 0.426476 0.351538 O\n0.573524 0.573524 0.648462 O\n0.831077 0.831077 0.155236 O\n0.168923 0.168923 0.844764 O\n0.397630 0.896432 0.400256 F\n0.319145 0.319145 0.141696 F\n0.925868 0.925868 0.347641 F\n0.680855 0.680855 0.858304 F\n0.358208 0.851617 0.096812 F\n0.602370 0.103568 0.599744 F\n0.851617 0.358208 0.096812 F\n0.148383 0.641792 0.903188 F\n0.896432 0.397630 0.400256 F\n0.641792 0.148383 0.903188 F\n0.074132 0.074132 0.652359 F\n0.103568 0.602370 0.599744 F\n","nsites":24,"nelements":3,"elements":["Co","O","F"],"chemical_system":"Co-F-O","density":4.6770142831762325,"density_atomic":0.08854288226063932,"volume":271.0551021972877,"volume_molar":6.801383246451049,"formula_full":"Co8 O4 F12","formula_reduced":"Co2OF3","formula_anonymous":"AB2C3","energy":-146.38823536,"energy_per_atom":-6.099509806666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-124.99223536,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.8672934,"is_theoretical":true,"updated_at":"2021-11-28T01:37:09.440000Z","spacegroup":12},{"id":"mp-605835","created_at":"2022-09-04T14:45:58.889787Z","structure_string":"Nd16 Mg4 Ru4\n1.0\n0.000000 7.082186 7.082186\n7.082186 0.000000 7.082186\n7.082186 7.082186 0.000000\nNd Mg Ru\n16 4 4\ndirect\n0.561551 0.561551 0.938449 Nd\n0.188780 0.811220 0.188780 Nd\n0.811220 0.811220 0.188780 Nd\n0.188780 0.188780 0.811220 Nd\n0.405519 0.783443 0.405519 Nd\n0.811220 0.188780 0.811220 Nd\n0.938449 0.938449 0.561551 Nd\n0.811220 0.188780 0.188780 Nd\n0.938449 0.561551 0.938449 Nd\n0.783443 0.405519 0.405519 Nd\n0.561551 0.938449 0.938449 Nd\n0.188780 0.811220 0.811220 Nd\n0.561551 0.938449 0.561551 Nd\n0.405519 0.405519 0.405519 Nd\n0.938449 0.561551 0.561551 Nd\n0.405519 0.405519 0.783443 Nd\n0.171458 0.485627 0.171458 Mg\n0.171458 0.171458 0.485627 Mg\n0.485627 0.171458 0.171458 Mg\n0.171458 0.171458 0.171458 Mg\n0.164047 0.611984 0.611984 Ru\n0.611984 0.611984 0.164047 Ru\n0.611984 0.611984 0.611984 Ru\n0.611984 0.164047 0.611984 Ru\n","nsites":24,"nelements":3,"elements":["Nd","Mg","Ru"],"chemical_system":"Mg-Nd-Ru","density":6.566385352765297,"density_atomic":0.03378152574376367,"volume":710.4474848780501,"volume_molar":17.826728152181623,"formula_full":"Nd16 Mg4 Ru4","formula_reduced":"Nd4MgRu","formula_anonymous":"ABC4","energy":-124.12810929,"energy_per_atom":-5.17200455375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-124.12810929,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0034807,"is_theoretical":false,"updated_at":"2021-11-28T01:37:20.124000Z","spacegroup":216},{"id":"mp-1194779","created_at":"2022-09-04T14:45:58.890882Z","structure_string":"Cu8 H24 C24 O32\n1.0\n9.964070 0.000000 0.000000\n0.000000 6.317902 0.000000\n0.000000 1.392139 15.000957\nCu H C O\n8 24 24 32\ndirect\n0.751535 0.785174 0.155239 Cu\n0.251535 0.214826 0.344761 Cu\n0.248465 0.214826 0.844761 Cu\n0.748465 0.785174 0.655239 Cu\n0.619016 0.612764 0.341098 Cu\n0.119016 0.387236 0.158902 Cu\n0.380984 0.387236 0.658902 Cu\n0.880984 0.612764 0.841098 Cu\n0.642138 0.416788 0.622549 H\n0.142138 0.583212 0.877451 H\n0.357862 0.583212 0.377451 H\n0.857862 0.416788 0.122549 H\n0.581577 0.576726 0.545967 H\n0.081577 0.423274 0.954033 H\n0.418423 0.423274 0.454033 H\n0.918423 0.576726 0.045967 H\n0.554938 0.140783 0.100513 H\n0.054938 0.859217 0.399487 H\n0.445062 0.859217 0.899487 H\n0.945062 0.140783 0.600513 H\n0.448489 0.355487 0.067430 H\n0.948489 0.644513 0.432570 H\n0.551511 0.644513 0.932570 H\n0.051511 0.355487 0.567430 H\n0.363129 0.872240 0.103910 H\n0.863129 0.127760 0.396090 H\n0.636871 0.127760 0.896090 H\n0.136871 0.872240 0.603910 H\n0.210958 0.931735 0.159590 H\n0.710958 0.068265 0.340410 H\n0.789042 0.068265 0.840410 H\n0.289042 0.931735 0.659590 H\n0.375807 0.147995 0.180985 C\n0.875807 0.852005 0.319014 C\n0.624193 0.852005 0.819014 C\n0.124193 0.147995 0.680986 C\n0.489290 0.261443 0.126456 C\n0.989290 0.738557 0.373544 C\n0.510710 0.738557 0.873544 C\n0.010710 0.261443 0.626456 C\n0.297405 0.000961 0.121590 C\n0.797405 0.999039 0.378410 C\n0.702595 0.999039 0.878410 C\n0.202595 0.000961 0.621590 C\n0.434964 0.994427 0.257025 C\n0.934964 0.005573 0.242975 C\n0.565036 0.005573 0.742975 C\n0.065036 0.994427 0.757025 C\n0.577946 0.407360 0.175597 C\n0.077946 0.592640 0.324403 C\n0.422054 0.592640 0.824403 C\n0.922054 0.407360 0.675597 C\n0.248083 0.124328 0.037472 C\n0.748083 0.875672 0.462528 C\n0.751917 0.875672 0.962528 C\n0.251917 0.124328 0.537472 C\n0.557816 0.467809 0.595474 O\n0.057816 0.532191 0.904526 O\n0.442184 0.532191 0.404526 O\n0.942184 0.467809 0.095474 O\n0.288411 0.295937 0.218322 O\n0.788411 0.704063 0.281678 O\n0.711589 0.704063 0.781678 O\n0.211589 0.295937 0.718322 O\n0.382101 0.996412 0.334950 O\n0.882101 0.003588 0.165050 O\n0.617899 0.003588 0.665050 O\n0.117899 0.996412 0.834950 O\n0.525470 0.867149 0.239955 O\n0.025470 0.132851 0.260045 O\n0.474530 0.132851 0.760045 O\n0.974530 0.867149 0.739955 O\n0.579621 0.388433 0.260216 O\n0.079621 0.611567 0.239784 O\n0.420379 0.611567 0.739784 O\n0.920379 0.388433 0.760216 O\n0.648197 0.539039 0.124981 O\n0.148197 0.460961 0.375019 O\n0.351803 0.460961 0.875019 O\n0.851803 0.539039 0.624981 O\n0.291632 0.071901 0.963630 O\n0.791632 0.928099 0.536370 O\n0.708368 0.928099 0.036370 O\n0.208368 0.071901 0.463630 O\n0.166462 0.280212 0.043941 O\n0.666462 0.719788 0.456059 O\n0.833538 0.719788 0.956059 O\n0.333538 0.280212 0.543941 O\n","nsites":88,"nelements":4,"elements":["Cu","H","C","O"],"chemical_system":"C-Cu-H-O","density":2.3436038842391618,"density_atomic":0.09318672544550631,"volume":944.3405117981165,"volume_molar":6.462444872066703,"formula_full":"Cu8 H24 C24 O32","formula_reduced":"CuH3C3O4","formula_anonymous":"AB3C3D4","energy":-576.4662964400001,"energy_per_atom":-6.550753368636364,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-554.48229644,"band_gap":0.4692999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0000009,"is_theoretical":false,"updated_at":"2021-11-28T01:37:14.350000Z","spacegroup":14},{"id":"mp-862775","created_at":"2022-09-04T14:45:58.897217Z","structure_string":"Li1 In1 Rh2\n1.0\n0.000000 3.128765 3.128765\n3.128765 0.000000 3.128765\n3.128765 3.128765 0.000000\nLi In Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n","nsites":4,"nelements":3,"elements":["Li","In","Rh"],"chemical_system":"In-Li-Rh","density":8.879824619069081,"density_atomic":0.06529969630750972,"volume":61.2560276109582,"volume_molar":9.22231051679092,"formula_full":"Li1 In1 Rh2","formula_reduced":"LiInRh2","formula_anonymous":"ABC2","energy":-20.60470807,"energy_per_atom":-5.1511770175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.60470807,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0065342,"is_theoretical":true,"updated_at":"2021-11-28T01:37:13.705000Z","spacegroup":225},{"id":"mp-19871","created_at":"2022-09-04T14:45:58.904501Z","structure_string":"Pb2 Au4\n1.0\n0.000000 4.068628 4.068628\n4.068628 0.000000 4.068628\n4.068628 4.068628 0.000000\nPb Au\n2 4\ndirect\n0.750000 0.750000 0.750000 Pb\n0.500000 0.500000 0.500000 Pb\n0.125000 0.125000 0.625000 Au\n0.125000 0.625000 0.125000 Au\n0.125000 0.125000 0.125000 Au\n0.625000 0.125000 0.125000 Au\n","nsites":6,"nelements":2,"elements":["Pb","Au"],"chemical_system":"Au-Pb","density":14.820942292924501,"density_atomic":0.04454277849909818,"volume":134.70196970585204,"volume_molar":13.519903703631613,"formula_full":"Pb2 Au4","formula_reduced":"PbAu2","formula_anonymous":"AB2","energy":-20.94947419,"energy_per_atom":-3.491579031666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.94947419,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.61e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:20.903000Z","spacegroup":227},{"id":"mp-1215226","created_at":"2022-09-04T14:45:58.905382Z","structure_string":"Zr1 Sc1 Mn1 Ni3\n1.0\n4.271687 -2.473100 0.000000\n4.271687 2.473100 0.000000\n2.839882 0.000000 4.037154\nZr Sc Mn Ni\n1 1 1 3\ndirect\n0.999663 0.999663 0.999663 Zr\n0.250182 0.250182 0.250182 Sc\n0.624875 0.624875 0.624875 Mn\n0.624968 0.125345 0.624968 Ni\n0.125345 0.624968 0.624968 Ni\n0.624968 0.624968 0.125345 Ni\n","nsites":6,"nelements":4,"elements":["Zr","Sc","Mn","Ni"],"chemical_system":"Mn-Ni-Sc-Zr","density":7.148306702080166,"density_atomic":0.07034040070705691,"volume":85.29948563966667,"volume_molar":8.561425154627855,"formula_full":"Zr1 Sc1 Mn1 Ni3","formula_reduced":"ZrScMnNi3","formula_anonymous":"ABCD3","energy":-43.7172353,"energy_per_atom":-7.286205883333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.7172353,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.412495,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.186000Z","spacegroup":160},{"id":"mp-1221827","created_at":"2022-09-04T14:45:58.908811Z","structure_string":"Mn3 Ni4 Sn1\n1.0\n7.046592 -2.088491 0.000000\n7.046592 2.088491 0.000000\n6.427599 0.000000 3.564019\nMn Ni Sn\n3 4 1\ndirect\n0.247773 0.247773 0.247773 Mn\n0.752227 0.752227 0.752227 Mn\n0.500000 0.500000 0.500000 Mn\n0.618963 0.618963 0.618963 Ni\n0.129025 0.129025 0.129025 Ni\n0.870975 0.870975 0.870975 Ni\n0.381037 0.381037 0.381037 Ni\n0.000000 0.000000 0.000000 Sn\n","nsites":8,"nelements":3,"elements":["Mn","Ni","Sn"],"chemical_system":"Mn-Ni-Sn","density":8.204397008718752,"density_atomic":0.07626200975700059,"volume":104.90151027347699,"volume_molar":7.896645760043307,"formula_full":"Mn3 Ni4 Sn1","formula_reduced":"Mn3Ni4Sn","formula_anonymous":"AB3C4","energy":-55.38756101,"energy_per_atom":-6.92344512625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-55.38756101,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.6483246,"is_theoretical":true,"updated_at":"2021-11-28T01:37:09.426000Z","spacegroup":166},{"id":"mp-1234333","created_at":"2022-09-04T14:45:58.911999Z","structure_string":"Mg1 Au4 Se4 Cl4 O12\n1.0\n4.907529 -0.143954 0.198985\n0.153008 10.067044 1.881445\n0.260639 0.170293 11.219503\nMg Au Se Cl O\n1 4 4 4 12\ndirect\n0.529729 0.261115 0.839347 Mg\n0.005818 0.589337 0.175879 Au\n0.992363 0.024082 0.006153 Au\n0.075178 0.433324 0.823551 Au\n0.023665 0.972208 0.499618 Au\n0.751757 0.853746 0.278925 Se\n0.172944 0.755649 0.901971 Se\n0.845940 0.297751 0.102212 Se\n0.098858 0.140111 0.704672 Se\n0.444709 0.459140 0.683474 Cl\n0.684502 0.483038 0.321713 Cl\n0.283332 0.165470 0.430596 Cl\n0.763375 0.779607 0.559056 Cl\n0.693962 0.955304 0.138588 O\n0.741329 0.345685 0.951396 O\n0.026965 0.755673 0.247377 O\n0.102841 0.187733 0.077110 O\n0.079823 0.424482 0.103289 O\n0.904099 0.862334 0.940813 O\n0.288813 0.684149 0.046010 O\n0.767571 0.159456 0.743814 O\n0.958178 0.973542 0.324051 O\n0.946762 0.648344 0.868521 O\n0.245757 0.104570 0.853823 O\n0.099511 0.977899 0.675662 O\n","nsites":25,"nelements":5,"elements":["Mg","Au","Se","Cl","O"],"chemical_system":"Au-Cl-Mg-O-Se","density":4.39445100814426,"density_atomic":0.04525877601429872,"volume":552.3790566519449,"volume_molar":13.306017728136107,"formula_full":"Mg1 Au4 Se4 Cl4 O12","formula_reduced":"MgAu4Se4(ClO3)4","formula_anonymous":"AB4C4D4E12","energy":-121.25194494,"energy_per_atom":-4.8500777976,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-110.55194494,"band_gap":1.0746,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:08.641000Z","spacegroup":1},{"id":"mp-1183694","created_at":"2022-09-04T14:45:58.920184Z","structure_string":"Cs1\n1.0\n-2.685025 2.685025 4.021208\n2.685025 -2.685025 4.021208\n2.685025 2.685025 -4.021208\nCs\n1\ndirect\n0.000000 0.000000 0.000000 Cs\n","nsites":1,"nelements":1,"elements":["Cs"],"chemical_system":"Cs","density":1.9031748818855136,"density_atomic":0.008623564247910042,"volume":115.961332373949,"volume_molar":69.83354662730657,"formula_full":"Cs1","formula_reduced":"Cs","formula_anonymous":"A","energy":-0.85803644,"energy_per_atom":-0.85803644,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.85803644,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.73e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:15.151000Z","spacegroup":139},{"id":"mp-651772","created_at":"2022-09-04T14:45:58.928825Z","structure_string":"U4 Te20\n1.0\n4.283968 0.000000 0.000000\n0.000000 10.312114 0.000000\n0.000000 0.000000 18.382892\nU Te\n4 20\ndirect\n0.385576 0.247398 0.590446 U\n0.614424 0.747398 0.409554 U\n0.885576 0.747398 0.909554 U\n0.114424 0.247398 0.090446 U\n0.613044 0.436361 0.158570 Te\n0.374993 0.747376 0.036221 Te\n0.125007 0.747376 0.536221 Te\n0.113044 0.936361 0.341430 Te\n0.022436 0.991753 0.003983 Te\n0.660843 0.757723 0.743016 Te\n0.625007 0.247376 0.963779 Te\n0.160843 0.257723 0.756984 Te\n0.522436 0.491753 0.496017 Te\n0.477564 0.991753 0.503983 Te\n0.385635 0.568088 0.834584 Te\n0.977564 0.491753 0.996017 Te\n0.114365 0.568088 0.334584 Te\n0.386956 0.936361 0.841430 Te\n0.885635 0.068088 0.665416 Te\n0.839157 0.757723 0.243016 Te\n0.614365 0.068088 0.165416 Te\n0.886956 0.436361 0.658570 Te\n0.874993 0.247376 0.463779 Te\n0.339157 0.257723 0.256984 Te\n","nsites":24,"nelements":2,"elements":["U","Te"],"chemical_system":"Te-U","density":7.165058954091413,"density_atomic":0.0295531298779728,"volume":812.0967254263047,"volume_molar":20.377336630217826,"formula_full":"U4 Te20","formula_reduced":"UTe5","formula_anonymous":"AB5","energy":-125.05262949,"energy_per_atom":-5.21052622875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-116.61262949,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9999994,"is_theoretical":false,"updated_at":"2021-11-28T01:37:09.171000Z","spacegroup":33},{"id":"mp-1096434","created_at":"2022-09-04T14:46:09.250081Z","structure_string":"Mg2 Tl1 In1\n1.0\n-6.183680 6.317083 8.705062\n6.183680 -6.317083 8.705062\n6.183680 6.317083 -8.705062\nMg Tl In\n2 1 1\ndirect\n0.754124 0.000000 0.754124 Mg\n0.245876 0.000000 0.245876 Mg\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n","nsites":4,"nelements":3,"elements":["Mg","Tl","In"],"chemical_system":"In-Mg-Tl","density":0.4490334713170104,"density_atomic":0.002940793576659503,"volume":1360.1770732047326,"volume_molar":204.7794448340931,"formula_full":"Mg2 Tl1 In1","formula_reduced":"Mg2TlIn","formula_anonymous":"ABC2","energy":-3.16656153,"energy_per_atom":-0.7916403825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.16656153,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.4873932,"is_theoretical":true,"updated_at":"2021-11-28T01:37:27.574000Z","spacegroup":71}]}