{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-band_gap&page=12120","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-band_gap&page=12118","results":[{"id":"mp-15746","created_at":"2022-09-04T14:43:54.756481Z","structure_string":"Zr2 Cr30 P19\n1.0\n7.431523 -12.871775 0.000000\n7.431523 12.871775 0.000000\n0.000000 0.000000 3.264341\nZr Cr P\n2 30 19\ndirect\n0.000000 0.000000 0.500000 Zr\n0.333333 0.666667 0.000000 Zr\n0.156216 0.982118 0.000000 Cr\n0.058403 0.524248 0.000000 Cr\n0.465845 0.941597 0.000000 Cr\n0.475752 0.534155 0.000000 Cr\n0.270156 0.144346 0.500000 Cr\n0.825902 0.843784 0.000000 Cr\n0.855654 0.125810 0.500000 Cr\n0.845378 0.443643 0.000000 Cr\n0.598265 0.154622 0.000000 Cr\n0.556357 0.401735 0.000000 Cr\n0.522770 0.246864 0.500000 Cr\n0.724094 0.477230 0.500000 Cr\n0.753136 0.275906 0.500000 Cr\n0.508268 0.821392 0.500000 Cr\n0.178608 0.686876 0.500000 Cr\n0.313124 0.491732 0.500000 Cr\n0.730715 0.915408 0.500000 Cr\n0.084592 0.815307 0.500000 Cr\n0.184693 0.269285 0.500000 Cr\n0.603425 0.745435 0.000000 Cr\n0.254565 0.857990 0.000000 Cr\n0.142010 0.396575 0.000000 Cr\n0.692444 0.618589 0.000000 Cr\n0.381411 0.073856 0.000000 Cr\n0.926144 0.307556 0.000000 Cr\n0.643266 0.044287 0.500000 Cr\n0.955713 0.598979 0.500000 Cr\n0.401021 0.356734 0.500000 Cr\n0.874190 0.729844 0.500000 Cr\n0.017882 0.174098 0.000000 Cr\n0.666667 0.333333 0.000000 P\n0.939402 0.422873 0.500000 P\n0.397513 0.239386 0.000000 P\n0.760614 0.158126 0.000000 P\n0.841874 0.602487 0.000000 P\n0.175774 0.526366 0.500000 P\n0.473634 0.649408 0.500000 P\n0.350592 0.824226 0.500000 P\n0.155541 0.140497 0.000000 P\n0.859503 0.015044 0.000000 P\n0.984956 0.844459 0.000000 P\n0.027127 0.285226 0.500000 P\n0.714774 0.741901 0.500000 P\n0.258099 0.972873 0.500000 P\n0.299666 0.379854 0.000000 P\n0.620146 0.919812 0.000000 P\n0.080188 0.700334 0.000000 P\n0.577127 0.516530 0.500000 P\n0.483470 0.060598 0.500000 P\n","nsites":51,"nelements":3,"elements":["Zr","Cr","P"],"chemical_system":"Cr-P-Zr","density":6.197526280975499,"density_atomic":0.08166357623910328,"volume":624.5134287369045,"volume_molar":7.374328969340919,"formula_full":"Zr2 Cr30 P19","formula_reduced":"Zr2Cr30P19","formula_anonymous":"A2B19C30","energy":-434.35226373,"energy_per_atom":-8.516711053529411,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-434.35226373,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.5346219,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.687000Z","spacegroup":174},{"id":"mp-1112905","created_at":"2022-09-04T14:43:46.708623Z","structure_string":"Cs2 Hg1 Bi1 Br6\n1.0\n0.000000 5.875412 5.875412\n5.875412 0.000000 5.875412\n5.875412 5.875412 0.000000\nCs Hg Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.754624 0.245376 0.245376 Br\n0.245376 0.245376 0.754624 Br\n0.245376 0.754624 0.754624 Br\n0.245376 0.754624 0.245376 Br\n0.754624 0.245376 0.754624 Br\n0.754624 0.754624 0.245376 Br\n","nsites":10,"nelements":4,"elements":["Cs","Hg","Bi","Br"],"chemical_system":"Bi-Br-Cs-Hg","density":4.7272970592703665,"density_atomic":0.024652162768407863,"volume":405.64392235861584,"volume_molar":24.428447988820956,"formula_full":"Cs2 Hg1 Bi1 Br6","formula_reduced":"Cs2HgBiBr6","formula_anonymous":"ABC2D6","energy":-30.08290038,"energy_per_atom":-3.008290038,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.87890038,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016827,"is_theoretical":true,"updated_at":"2021-11-28T01:36:22.002000Z","spacegroup":225},{"id":"mp-727934","created_at":"2022-09-04T14:43:54.798138Z","structure_string":"Cr4 Bi4 O20\n1.0\n9.824672 0.000000 0.000000\n0.000000 5.745343 0.000000\n0.000000 0.533688 7.452563\nCr Bi O\n4 4 20\ndirect\n0.585513 0.724663 0.165728 Cr\n0.085513 0.275337 0.334272 Cr\n0.414487 0.275337 0.834272 Cr\n0.914487 0.724663 0.665728 Cr\n0.177384 0.833701 0.009087 Bi\n0.677384 0.166299 0.490913 Bi\n0.822616 0.166299 0.990913 Bi\n0.322616 0.833701 0.509087 Bi\n0.156788 0.523728 0.252023 O\n0.656788 0.476272 0.247977 O\n0.843212 0.476272 0.747977 O\n0.343212 0.523728 0.752023 O\n0.091707 0.266430 0.549436 O\n0.591707 0.733570 0.950564 O\n0.908293 0.733570 0.450564 O\n0.408293 0.266430 0.049436 O\n0.180653 0.035793 0.276177 O\n0.680653 0.964207 0.223823 O\n0.819347 0.964207 0.723823 O\n0.319347 0.035793 0.776177 O\n0.920854 0.255528 0.271207 O\n0.420854 0.744472 0.228793 O\n0.079146 0.744472 0.728793 O\n0.579146 0.255528 0.771207 O\n0.051008 0.159744 0.956430 O\n0.551008 0.840256 0.543570 O\n0.948992 0.840256 0.043570 O\n0.448992 0.159744 0.456430 O\n","nsites":28,"nelements":3,"elements":["Cr","Bi","O"],"chemical_system":"Bi-Cr-O","density":5.383813890948606,"density_atomic":0.06656077249903034,"volume":420.66819462481305,"volume_molar":9.047582433163214,"formula_full":"Cr4 Bi4 O20","formula_reduced":"CrBiO5","formula_anonymous":"ABC5","energy":-193.25120195,"energy_per_atom":-6.901828641071428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-171.51520195,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.001236,"is_theoretical":false,"updated_at":"2021-11-28T01:36:11.316000Z","spacegroup":14},{"id":"mp-1519635","created_at":"2022-09-04T14:43:54.779901Z","structure_string":"Sr8 Eu4 W4 O24\n1.0\n8.596781 0.000000 -0.000000\n-0.000000 8.596781 0.000000\n-0.000000 -0.000000 8.596781\nSr Eu W O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 -0.000000 0.000000 Sr\n0.000000 -0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 -0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Eu\n0.750000 0.250000 0.250000 Eu\n0.250000 0.750000 0.250000 Eu\n0.250000 0.250000 0.750000 Eu\n0.250000 0.250000 0.250000 W\n0.250000 0.750000 0.750000 W\n0.750000 0.250000 0.750000 W\n0.750000 0.750000 0.250000 W\n0.215242 0.292546 0.473736 O\n0.215242 0.707454 0.526264 O\n0.784758 0.292546 0.526264 O\n0.784758 0.707454 0.473736 O\n0.292546 0.473736 0.215242 O\n0.707454 0.526264 0.215242 O\n0.292546 0.526264 0.784758 O\n0.707454 0.473736 0.784758 O\n0.473736 0.215242 0.292546 O\n0.526264 0.215242 0.707454 O\n0.526264 0.784758 0.292546 O\n0.473736 0.784758 0.707454 O\n0.284758 0.207454 0.026264 O\n0.284758 0.792546 0.973736 O\n0.715242 0.207454 0.973736 O\n0.715242 0.792546 0.026264 O\n0.207454 0.026264 0.284758 O\n0.792546 0.973736 0.284758 O\n0.207454 0.973736 0.715242 O\n0.792546 0.026264 0.715242 O\n0.026264 0.284758 0.207454 O\n0.973736 0.284758 0.792546 O\n0.973736 0.715242 0.207454 O\n0.026264 0.715242 0.792546 O\n","nsites":40,"nelements":4,"elements":["Sr","Eu","W","O"],"chemical_system":"Eu-O-Sr-W","density":6.346278021890799,"density_atomic":0.06295821425250799,"volume":635.3420355852386,"volume_molar":9.565297922598088,"formula_full":"Sr8 Eu4 W4 O24","formula_reduced":"Sr2EuWO6","formula_anonymous":"ABC2D6","energy":-343.08334130000003,"energy_per_atom":-8.577083532500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-308.8433413,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":27.8838142,"is_theoretical":true,"updated_at":"2021-11-28T01:36:10.582000Z","spacegroup":201},{"id":"mp-505343","created_at":"2022-09-04T14:43:54.784681Z","structure_string":"U2 Co8 B8\n1.0\n5.000519 0.000000 0.000000\n0.000000 5.000519 0.000000\n0.000000 0.000000 6.981437\nU Co B\n2 8 8\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 U\n0.500000 0.753650 0.141224 Co\n0.746350 0.000000 0.641224 Co\n0.253650 0.000000 0.641224 Co\n0.000000 0.746350 0.358776 Co\n0.000000 0.253650 0.358776 Co\n0.500000 0.246350 0.141224 Co\n0.753650 0.500000 0.858776 Co\n0.246350 0.500000 0.858776 Co\n0.500000 0.826203 0.844868 B\n0.673797 0.000000 0.344868 B\n0.326203 0.000000 0.344868 B\n0.000000 0.673797 0.655132 B\n0.000000 0.326203 0.655132 B\n0.500000 0.173797 0.844868 B\n0.826203 0.500000 0.155132 B\n0.173797 0.500000 0.155132 B\n","nsites":18,"nelements":3,"elements":["U","Co","B"],"chemical_system":"B-Co-U","density":9.83556763290301,"density_atomic":0.10310922397059086,"volume":174.57216053855683,"volume_molar":5.840545130780593,"formula_full":"U2 Co8 B8","formula_reduced":"U(CoB)4","formula_anonymous":"AB4C4","energy":-140.3333047,"energy_per_atom":-7.796294705555557,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.3333047,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0046279,"is_theoretical":false,"updated_at":"2021-11-28T01:36:19.558000Z","spacegroup":137},{"id":"mp-1030268","created_at":"2022-09-04T14:43:46.437045Z","structure_string":"Te2 Mo2 W2 Se2 S4\n1.0\n1.653303 -2.863606 0.000000\n1.653303 2.863606 0.000000\n0.000000 0.000000 37.593056\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.333333 0.666667 0.043095 Te\n0.333333 0.666667 0.144743 Te\n0.000000 0.000000 0.093898 Mo\n0.333333 0.666667 0.281816 Mo\n0.000000 0.000000 0.469655 W\n0.333333 0.666667 0.657537 W\n0.000000 0.000000 0.702394 Se\n0.000000 0.000000 0.612674 Se\n0.000000 0.000000 0.322471 S\n0.333333 0.666667 0.428874 S\n0.333333 0.666667 0.510439 S\n0.000000 0.000000 0.241151 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":5.135815382234679,"density_atomic":0.033711486358797435,"volume":355.9617595107446,"volume_molar":17.863765174591443,"formula_full":"Te2 Mo2 W2 Se2 S4","formula_reduced":"TeMoWSeS2","formula_anonymous":"ABCDE2","energy":-88.14809247,"energy_per_atom":-7.3456743724999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.34809247,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.3e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.879000Z","spacegroup":156},{"id":"mp-1219962","created_at":"2022-09-04T14:43:38.600206Z","structure_string":"Pr2 Co1 Sn4\n1.0\n0.000000 0.000000 4.577762\n4.598693 0.000000 0.000000\n2.299347 8.524262 0.000000\nPr Co Sn\n2 1 4\ndirect\n0.250000 0.901614 0.196772 Pr\n0.750000 0.104342 0.791316 Pr\n0.250000 0.699994 0.600013 Co\n0.250000 0.554371 0.891258 Sn\n0.750000 0.437958 0.124085 Sn\n0.250000 0.261379 0.477243 Sn\n0.750000 0.758343 0.483314 Sn\n","nsites":7,"nelements":3,"elements":["Pr","Co","Sn"],"chemical_system":"Co-Pr-Sn","density":7.547024694429323,"density_atomic":0.03900799450503402,"volume":179.45039443380364,"volume_molar":15.438221924541228,"formula_full":"Pr2 Co1 Sn4","formula_reduced":"Pr2CoSn4","formula_anonymous":"AB2C4","energy":-36.7002996,"energy_per_atom":-5.242899942857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.7002996,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0059831,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.902000Z","spacegroup":38},{"id":"mp-1120765","created_at":"2022-09-04T14:43:54.797229Z","structure_string":"Ba1 Ni1 O3\n1.0\n4.030684 0.000000 0.000000\n0.000000 4.030684 0.000000\n0.000000 0.000000 4.030684\nBa Ni O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n","nsites":5,"nelements":3,"elements":["Ba","Ni","O"],"chemical_system":"Ba-Ni-O","density":6.187792965000027,"density_atomic":0.07635434397592125,"volume":65.48415898349904,"volume_molar":7.887096458976995,"formula_full":"Ba1 Ni1 O3","formula_reduced":"BaNiO3","formula_anonymous":"ABC3","energy":-31.02174563,"energy_per_atom":-6.204349126,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.41974563,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0269529,"is_theoretical":true,"updated_at":"2021-11-28T01:36:24.358000Z","spacegroup":221},{"id":"mp-1234113","created_at":"2022-09-04T14:43:54.802110Z","structure_string":"Mg1 V8 Zn4 O16\n1.0\n3.039838 0.000565 0.070404\n-0.001667 -10.693075 0.000035\n-0.229580 0.000416 -9.911566\nMg V Zn O\n1 8 4 16\ndirect\n0.748690 0.749964 0.964015 Mg\n0.754940 0.564398 0.390793 V\n0.777127 0.080681 0.124231 V\n0.247598 0.084071 0.612989 V\n0.776758 0.419138 0.124160 V\n0.247502 0.415961 0.613117 V\n0.755552 0.935664 0.390981 V\n0.240170 0.970201 0.875131 V\n0.239927 0.529846 0.875147 V\n0.253765 0.750230 0.198203 Zn\n0.418508 0.249969 0.358405 Zn\n0.251769 0.749981 0.629599 Zn\n0.853218 0.249863 0.860289 Zn\n0.265816 0.905784 0.527617 O\n0.739209 0.115373 0.480184 O\n0.312111 0.000600 0.246499 O\n0.755850 0.929996 0.996900 O\n0.755744 0.569907 0.996977 O\n0.888213 0.249976 0.221163 O\n0.234735 0.127663 0.988106 O\n0.303629 0.250067 0.711664 O\n0.312024 0.499182 0.246590 O\n0.740017 0.021696 0.744774 O\n0.265175 0.594213 0.527413 O\n0.230548 0.749925 0.825007 O\n0.772698 0.749866 0.338315 O\n0.739872 0.478583 0.744671 O\n0.234019 0.372287 0.988005 O\n0.738986 0.384908 0.480303 O\n","nsites":29,"nelements":4,"elements":["Mg","V","Zn","O"],"chemical_system":"Mg-O-V-Zn","density":4.89626655956594,"density_atomic":0.09006078448952595,"volume":322.00474562124975,"volume_molar":6.6867513914453784,"formula_full":"Mg1 V8 Zn4 O16","formula_reduced":"MgV8Zn4O16","formula_anonymous":"AB4C8D16","energy":-220.03592821,"energy_per_atom":-7.5874458003448275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-195.44392821,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.5552013,"is_theoretical":true,"updated_at":"2021-11-28T01:36:18.242000Z","spacegroup":6},{"id":"mp-1094358","created_at":"2022-09-04T14:43:54.882079Z","structure_string":"Mg3 Ti1\n1.0\n0.000000 3.454782 3.454782\n3.454782 0.000000 3.454782\n3.454782 3.454782 0.000000\nMg Ti\n3 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Ti\n","nsites":4,"nelements":2,"elements":["Mg","Ti"],"chemical_system":"Mg-Ti","density":2.4319764993949002,"density_atomic":0.048502938548556536,"volume":82.46923010645179,"volume_molar":12.416032801747061,"formula_full":"Mg3 Ti1","formula_reduced":"Mg3Ti","formula_anonymous":"AB3","energy":-11.85519476,"energy_per_atom":-2.96379869,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.85519476,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002968,"is_theoretical":true,"updated_at":"2021-11-28T01:36:20.280000Z","spacegroup":225},{"id":"mp-1174817","created_at":"2022-09-04T14:43:46.425652Z","structure_string":"Li8 Mn2 Co4 O14\n1.0\n1.458804 6.435493 0.000000\n-1.458804 6.435493 0.000000\n0.000000 5.323346 13.478697\nLi Mn Co O\n8 2 4 14\ndirect\n0.286040 0.286040 0.065982 Li\n0.856259 0.856259 0.222632 Li\n0.426948 0.426948 0.361674 Li\n0.715030 0.715030 0.925491 Li\n0.149529 0.149529 0.778928 Li\n0.993310 0.993310 0.506224 Li\n0.573849 0.573849 0.639080 Li\n0.286562 0.286562 0.572005 Li\n0.999151 0.999151 0.999521 Mn\n0.143902 0.143902 0.287541 Mn\n0.571930 0.571930 0.143023 Co\n0.724135 0.724135 0.438524 Co\n0.849250 0.849250 0.706316 Co\n0.425309 0.425309 0.850699 Co\n0.433925 0.433925 0.093327 O\n0.013828 0.013828 0.246813 O\n0.582090 0.582090 0.379830 O\n0.868457 0.868457 0.960466 O\n0.291575 0.291575 0.818861 O\n0.145324 0.145324 0.525900 O\n0.721008 0.721008 0.684022 O\n0.130238 0.130238 0.036377 O\n0.710393 0.710393 0.192246 O\n0.272837 0.272837 0.325458 O\n0.561041 0.561041 0.905594 O\n0.990927 0.990927 0.758053 O\n0.852378 0.852378 0.459376 O\n0.424776 0.424776 0.616036 O\n","nsites":28,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.101679308174397,"density_atomic":0.11063724618601495,"volume":253.0793287544726,"volume_molar":5.443140504306249,"formula_full":"Li8 Mn2 Co4 O14","formula_reduced":"Li4MnCo2O7","formula_anonymous":"AB2C4D7","energy":-181.7833857,"energy_per_atom":-6.492263775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-162.2773857,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":17.9917833,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.828000Z","spacegroup":8},{"id":"mp-27585","created_at":"2022-09-04T14:43:46.066036Z","structure_string":"K2 Zr7 Cl18\n1.0\n9.192815 -4.843731 0.000000\n9.192815 4.843731 0.000000\n6.640634 0.000000 7.991968\nK Zr Cl\n2 7 18\ndirect\n0.776483 0.776483 0.776483 K\n0.223517 0.223517 0.223517 K\n0.500000 0.500000 0.500000 Zr\n0.162816 0.789644 0.901369 Zr\n0.901369 0.162816 0.789644 Zr\n0.789644 0.901369 0.162816 Zr\n0.837184 0.210356 0.098631 Zr\n0.098631 0.837184 0.210356 Zr\n0.210356 0.098631 0.837184 Zr\n0.359703 0.524321 0.781318 Cl\n0.781318 0.359703 0.524321 Cl\n0.524321 0.781318 0.359703 Cl\n0.640297 0.475679 0.218682 Cl\n0.218682 0.640297 0.475679 Cl\n0.475679 0.218682 0.640297 Cl\n0.132928 0.284183 0.575779 Cl\n0.575778 0.132928 0.284183 Cl\n0.284183 0.575778 0.132928 Cl\n0.056764 0.348025 0.931383 Cl\n0.348025 0.931383 0.056764 Cl\n0.931383 0.056764 0.348025 Cl\n0.943236 0.651975 0.068617 Cl\n0.651975 0.068617 0.943236 Cl\n0.068617 0.943236 0.651975 Cl\n0.715817 0.424221 0.867072 Cl\n0.424222 0.867072 0.715817 Cl\n0.867072 0.715817 0.424222 Cl\n","nsites":27,"nelements":3,"elements":["K","Zr","Cl"],"chemical_system":"Cl-K-Zr","density":3.161185881576924,"density_atomic":0.03793599641756436,"volume":711.7250777548842,"volume_molar":15.874476298747622,"formula_full":"K2 Zr7 Cl18","formula_reduced":"K2Zr7Cl18","formula_anonymous":"A2B7C18","energy":-152.33326472,"energy_per_atom":-5.641972767407407,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-141.28126472,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000623,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.462000Z","spacegroup":148}]}