{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=12153","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=12151","results":[{"id":"mp-11155","created_at":"2022-09-04T14:48:06.586818Z","structure_string":"Nd3 Mg3 Ga3\n1.0\n3.741629 -6.480692 0.000000\n3.741629 6.480692 0.000000\n0.000000 0.000000 4.541026\nNd Mg Ga\n3 3 3\ndirect\n0.000000 0.422770 0.000000 Nd\n0.577230 0.577230 0.000000 Nd\n0.422770 0.000000 0.000000 Nd\n0.000000 0.757231 0.500000 Mg\n0.242769 0.242769 0.500000 Mg\n0.757231 0.000000 0.500000 Mg\n0.666667 0.333333 0.500000 Ga\n0.333333 0.666667 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n","nsites":9,"nelements":3,"elements":["Nd","Mg","Ga"],"chemical_system":"Ga-Mg-Nd","density":5.389812138115953,"density_atomic":0.04086734466392038,"volume":220.2247313597946,"volume_molar":14.735825900909658,"formula_full":"Nd3 Mg3 Ga3","formula_reduced":"NdMgGa","formula_anonymous":"ABC","energy":-32.58861786,"energy_per_atom":-3.62095754,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.58861786,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011532,"is_theoretical":false,"updated_at":"2021-11-28T01:38:31.845000Z","spacegroup":189},{"id":"mp-21724","created_at":"2022-09-04T14:48:06.586972Z","structure_string":"Zn8 Si8 Pb8 O32\n1.0\n5.145587 0.000000 0.000000\n0.000000 8.366713 0.000000\n0.000000 0.000000 19.303352\nZn Si Pb O\n8 8 8 32\ndirect\n0.721125 0.000327 0.442281 Zn\n0.221125 0.999673 0.557719 Zn\n0.221125 0.499673 0.942281 Zn\n0.721125 0.500327 0.057719 Zn\n0.719928 0.319787 0.344478 Zn\n0.219928 0.680213 0.655522 Zn\n0.219928 0.180213 0.844478 Zn\n0.719928 0.819787 0.155522 Zn\n0.210694 0.229616 0.427456 Si\n0.710694 0.770384 0.572544 Si\n0.710694 0.270384 0.927456 Si\n0.210694 0.729616 0.072544 Si\n0.726155 0.701326 0.322242 Si\n0.226155 0.298674 0.677758 Si\n0.226155 0.798674 0.822242 Si\n0.726155 0.201326 0.177758 Si\n0.286593 0.647277 0.440501 Pb\n0.786593 0.352723 0.559499 Pb\n0.786593 0.852723 0.940501 Pb\n0.286593 0.147277 0.059499 Pb\n0.253314 0.541081 0.231762 Pb\n0.753314 0.458919 0.768238 Pb\n0.753314 0.958919 0.731762 Pb\n0.253314 0.041081 0.268238 Pb\n0.528053 0.201624 0.419855 O\n0.028053 0.798376 0.580145 O\n0.028053 0.298376 0.919855 O\n0.528053 0.701624 0.080145 O\n0.147910 0.388803 0.473887 O\n0.647910 0.611197 0.526113 O\n0.647910 0.111197 0.973887 O\n0.147910 0.888803 0.026113 O\n0.081782 0.069923 0.465485 O\n0.581782 0.930077 0.534515 O\n0.581782 0.430077 0.965485 O\n0.081782 0.569923 0.034515 O\n0.083864 0.245844 0.349014 O\n0.583864 0.754156 0.650986 O\n0.583864 0.254156 0.849014 O\n0.083864 0.745844 0.150986 O\n0.040485 0.676060 0.319305 O\n0.540485 0.323940 0.680695 O\n0.540485 0.823940 0.819305 O\n0.040485 0.176060 0.180695 O\n0.577962 0.537381 0.353169 O\n0.077962 0.462619 0.646831 O\n0.077962 0.962619 0.853169 O\n0.577962 0.037381 0.146831 O\n0.598677 0.222800 0.256400 O\n0.098677 0.777200 0.743600 O\n0.098677 0.277200 0.756400 O\n0.598677 0.722800 0.243600 O\n0.634459 0.349420 0.128721 O\n0.134459 0.650580 0.871279 O\n0.134459 0.150580 0.628721 O\n0.634459 0.849420 0.371279 O\n","nsites":56,"nelements":4,"elements":["Zn","Si","Pb","O"],"chemical_system":"O-Pb-Si-Zn","density":5.829655788345833,"density_atomic":0.0673853517154052,"volume":831.0411472883601,"volume_molar":8.936869225575709,"formula_full":"Zn8 Si8 Pb8 O32","formula_reduced":"ZnSiPbO4","formula_anonymous":"ABCD4","energy":-374.86051057,"energy_per_atom":-6.693937688749999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-352.87651057,"band_gap":3.1014000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003178,"is_theoretical":false,"updated_at":"2021-11-28T01:38:29.358000Z","spacegroup":33},{"id":"mp-1226192","created_at":"2022-09-04T14:48:06.591136Z","structure_string":"Cs2 Mn3 S4\n1.0\n2.995926 -7.016728 0.000000\n2.995926 7.016728 0.000000\n0.000000 0.000000 5.986506\nCs Mn S\n2 3 4\ndirect\n0.500000 0.000000 0.246517 Cs\n0.000000 0.500000 0.753483 Cs\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.166709 0.351773 0.260122 S\n0.648227 0.833291 0.739878 S\n0.833291 0.648227 0.260122 S\n0.351773 0.166709 0.739878 S\n","nsites":9,"nelements":3,"elements":["Cs","Mn","S"],"chemical_system":"Cs-Mn-S","density":3.687248773852085,"density_atomic":0.03575801218397806,"volume":251.69184331875672,"volume_molar":16.841374540104653,"formula_full":"Cs2 Mn3 S4","formula_reduced":"Cs2Mn3S4","formula_anonymous":"A2B3C4","energy":-54.701227200000005,"energy_per_atom":-6.0779141333333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.68922719999999,"band_gap":0.0346000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":15.0024429,"is_theoretical":true,"updated_at":"2021-11-28T01:38:27.439000Z","spacegroup":21},{"id":"mp-1246789","created_at":"2022-09-04T14:48:06.611759Z","structure_string":"Mg2 Fe3 W1 S8\n1.0\n6.254181 -0.005314 3.604291\n2.079688 5.873626 3.604465\n-0.007107 -0.004870 7.220911\nMg Fe W S\n2 3 1 8\ndirect\n0.870443 0.887849 0.870644 Mg\n0.129553 0.112154 0.129359 Mg\n0.499999 0.500019 0.499967 Fe\n0.500034 0.500002 0.000004 Fe\n0.999997 0.499984 0.500015 Fe\n0.500001 0.999994 0.500006 W\n0.737191 0.747716 0.737067 S\n0.262677 0.252863 0.721815 S\n0.265582 0.703465 0.265652 S\n0.721729 0.252575 0.262938 S\n0.734403 0.296534 0.734337 S\n0.278267 0.747419 0.737051 S\n0.262802 0.252284 0.262953 S\n0.737326 0.747137 0.278191 S\n","nsites":14,"nelements":4,"elements":["Mg","Fe","W","S"],"chemical_system":"Fe-Mg-S-W","density":4.105078822144527,"density_atomic":0.05271842180783015,"volume":265.5618191878538,"volume_molar":11.423218968792318,"formula_full":"Mg2 Fe3 W1 S8","formula_reduced":"Mg2Fe3WS8","formula_anonymous":"AB2C3D8","energy":-85.69855866,"energy_per_atom":-6.121325618571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.67455866,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.6525795,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.640000Z","spacegroup":166},{"id":"mp-1093980","created_at":"2022-09-04T14:48:06.826402Z","structure_string":"Sc2 Ga1 Hg1\n1.0\n-5.749744 5.779442 8.346705\n5.749744 -5.779442 8.346705\n5.749744 5.779442 -8.346705\nSc Ga Hg\n2 1 1\ndirect\n0.000000 0.231699 0.231699 Sc\n0.000000 0.768301 0.768301 Sc\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Sc","Ga","Hg"],"chemical_system":"Ga-Hg-Sc","density":0.5391545333118021,"density_atomic":0.0036053756163321247,"volume":1109.4544440474529,"volume_molar":167.03227072153265,"formula_full":"Sc2 Ga1 Hg1","formula_reduced":"Sc2GaHg","formula_anonymous":"ABC2","energy":-8.5343415,"energy_per_atom":-2.133585375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.5343415,"band_gap":0.1114999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0065191,"is_theoretical":true,"updated_at":"2021-11-28T01:38:34.038000Z","spacegroup":71},{"id":"mp-22702","created_at":"2022-09-04T14:48:06.859453Z","structure_string":"Mn4 Co6 Ge2\n1.0\n2.398711 -4.154689 0.000000\n2.398711 4.154689 0.000000\n0.000000 0.000000 7.612692\nMn Co Ge\n4 6 2\ndirect\n0.333333 0.666667 0.065090 Mn\n0.333333 0.666667 0.434910 Mn\n0.666667 0.333333 0.934910 Mn\n0.666667 0.333333 0.565090 Mn\n0.826540 0.653080 0.250000 Co\n0.173460 0.346920 0.750000 Co\n0.653080 0.826540 0.750000 Co\n0.346920 0.173460 0.250000 Co\n0.173460 0.826540 0.750000 Co\n0.826540 0.173460 0.250000 Co\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n","nsites":12,"nelements":3,"elements":["Mn","Co","Ge"],"chemical_system":"Co-Ge-Mn","density":7.864489827066726,"density_atomic":0.07908544167000373,"volume":151.73462708941884,"volume_molar":7.614727354154912,"formula_full":"Mn4 Co6 Ge2","formula_reduced":"Mn2Co3Ge","formula_anonymous":"AB2C3","energy":-88.99153729,"energy_per_atom":-7.415961440833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.99153729,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":22.0133714,"is_theoretical":false,"updated_at":"2021-11-28T01:38:32.031000Z","spacegroup":194},{"id":"mp-1206416","created_at":"2022-09-04T14:48:09.059090Z","structure_string":"Ho1 Al2 Si2\n1.0\n-2.107716 -3.650670 0.000000\n-2.107716 3.650670 0.000000\n0.000000 0.000000 -6.507284\nHo Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.666667 0.333333 0.355042 Al\n0.333333 0.666667 0.644958 Al\n0.666667 0.333333 0.741534 Si\n0.333333 0.666667 0.258466 Si\n","nsites":5,"nelements":3,"elements":["Ho","Al","Si"],"chemical_system":"Al-Ho-Si","density":4.561094314080292,"density_atomic":0.04992931158689295,"volume":100.14157698325968,"volume_molar":12.061333450431322,"formula_full":"Ho1 Al2 Si2","formula_reduced":"Ho(AlSi)2","formula_anonymous":"AB2C2","energy":-24.61155942,"energy_per_atom":-4.922311884,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.75355942,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0019156,"is_theoretical":true,"updated_at":"2021-11-28T01:38:30.900000Z","spacegroup":164},{"id":"mp-1482","created_at":"2022-09-04T14:48:10.183168Z","structure_string":"Zr4 Al6\n1.0\n0.000000 4.817476 6.980895\n2.796389 0.000000 6.980895\n2.796389 4.817476 0.000000\nZr Al\n4 6\ndirect\n0.740869 0.864612 0.124431 Zr\n0.270088 0.124431 0.864612 Zr\n0.125569 0.979912 0.509131 Zr\n0.385388 0.509131 0.979912 Zr\n0.870119 0.129881 0.129881 Al\n0.120119 0.379881 0.379881 Al\n0.313829 0.456511 0.549564 Al\n0.680095 0.549564 0.456511 Al\n0.700436 0.569905 0.936171 Al\n0.793489 0.936171 0.569905 Al\n","nsites":10,"nelements":2,"elements":["Zr","Al"],"chemical_system":"Al-Zr","density":4.65076550038752,"density_atomic":0.05316695080782193,"volume":188.08676909357,"volume_molar":11.326849985750961,"formula_full":"Zr4 Al6","formula_reduced":"Zr2Al3","formula_anonymous":"A2B3","energy":-61.87818729,"energy_per_atom":-6.187818729,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.87818729,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0126269,"is_theoretical":false,"updated_at":"2021-11-28T01:38:23.695000Z","spacegroup":43},{"id":"mp-31045","created_at":"2022-09-04T14:48:10.193026Z","structure_string":"K4 Au4 I12\n1.0\n9.726579 0.000000 0.000000\n0.000000 7.463625 0.000000\n0.000000 6.932213 11.618344\nK Au I\n4 4 12\ndirect\n0.116259 0.187115 0.251167 K\n0.616259 0.812885 0.248833 K\n0.883741 0.812885 0.748833 K\n0.383741 0.187115 0.751167 K\n0.500000 0.500000 0.000000 Au\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.150858 0.746570 0.964779 I\n0.650858 0.253430 0.535221 I\n0.849142 0.253430 0.035221 I\n0.349142 0.746570 0.464779 I\n0.992947 0.341483 0.731952 I\n0.492947 0.658517 0.768048 I\n0.007053 0.658517 0.268048 I\n0.507053 0.341483 0.231952 I\n0.158117 0.179040 0.531761 I\n0.658117 0.820960 0.968239 I\n0.841883 0.820960 0.468239 I\n0.341883 0.179040 0.031761 I\n","nsites":20,"nelements":3,"elements":["K","Au","I"],"chemical_system":"Au-I-K","density":4.857177776624302,"density_atomic":0.023712417633050084,"volume":843.4399355434867,"volume_molar":25.396570072241023,"formula_full":"K4 Au4 I12","formula_reduced":"KAuI3","formula_anonymous":"ABC3","energy":-53.64544474,"energy_per_atom":-2.6822722370000003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.09744474,"band_gap":0.6459,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0052434,"is_theoretical":false,"updated_at":"2021-11-28T01:38:33.189000Z","spacegroup":14},{"id":"mp-33985","created_at":"2022-09-04T14:48:10.333827Z","structure_string":"Ba1 In2 Te4\n1.0\n-4.364038 4.364038 3.596331\n4.364038 -4.364038 3.596331\n4.364038 4.364038 -3.596331\nBa In Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.929004 0.070996 0.500000 Te\n0.070996 0.570996 0.141993 Te\n0.429004 0.929004 0.858007 Te\n0.570996 0.429004 0.500000 Te\n","nsites":7,"nelements":3,"elements":["Ba","In","Te"],"chemical_system":"Ba-In-Te","density":5.317796549172278,"density_atomic":0.025550614231802906,"volume":273.96601649157554,"volume_molar":23.56945592526785,"formula_full":"Ba1 In2 Te4","formula_reduced":"Ba(InTe2)2","formula_anonymous":"AB2C4","energy":-27.03353578,"energy_per_atom":-3.861933682857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.34553578,"band_gap":0.8637000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.22e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:23.483000Z","spacegroup":97},{"id":"mp-1027761","created_at":"2022-09-04T14:48:10.878819Z","structure_string":"Te2 Mo4 S6\n1.0\n1.637179 -2.835678 0.000000\n1.637179 2.835678 0.000000\n0.000000 0.000000 37.336164\nTe Mo S\n2 4 6\ndirect\n0.000000 0.000000 0.709199 Te\n0.000000 0.000000 0.605935 Te\n0.000000 0.000000 0.093939 Mo\n0.000000 0.000000 0.469608 Mo\n0.333333 0.666667 0.281794 Mo\n0.333333 0.666667 0.657562 Mo\n0.000000 0.000000 0.322998 S\n0.333333 0.666667 0.052726 S\n0.333333 0.666667 0.428429 S\n0.333333 0.666667 0.135157 S\n0.333333 0.666667 0.510819 S\n0.000000 0.000000 0.240582 S\n","nsites":12,"nelements":3,"elements":["Te","Mo","S"],"chemical_system":"Mo-S-Te","density":3.982173960927602,"density_atomic":0.03461532995508533,"volume":346.66721408030617,"volume_molar":17.39732300057215,"formula_full":"Te2 Mo4 S6","formula_reduced":"TeMo2S3","formula_anonymous":"AB2C3","energy":-86.26860968999999,"energy_per_atom":-7.189050807499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.40660969,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001262,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.135000Z","spacegroup":156},{"id":"mp-704623","created_at":"2022-09-04T14:48:06.592183Z","structure_string":"Nd14 V2 Se16 O8\n1.0\n4.047925 0.000000 0.000000\n0.000000 14.482933 0.000000\n0.000000 0.000000 15.847631\nNd V Se O\n14 2 16 8\ndirect\n0.000000 0.790752 0.881551 Nd\n0.500000 0.993224 0.811035 Nd\n0.000000 0.290752 0.618449 Nd\n0.000000 0.000000 0.500000 Nd\n0.500000 0.493224 0.688965 Nd\n0.500000 0.219678 0.336171 Nd\n0.500000 0.506776 0.311035 Nd\n0.000000 0.209248 0.118449 Nd\n0.500000 0.780322 0.663829 Nd\n0.500000 0.006776 0.188965 Nd\n0.000000 0.500000 0.000000 Nd\n0.000000 0.709248 0.381551 Nd\n0.500000 0.719678 0.163829 Nd\n0.500000 0.280322 0.836171 Nd\n0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.381810 0.468514 Se\n0.500000 0.118190 0.968514 Se\n0.000000 0.656014 0.735579 Se\n0.500000 0.881810 0.031486 Se\n0.500000 0.854189 0.471836 Se\n0.000000 0.156014 0.764421 Se\n0.000000 0.843986 0.235579 Se\n0.000000 0.343986 0.264421 Se\n0.000000 0.569797 0.172597 Se\n0.500000 0.354189 0.028164 Se\n0.000000 0.069797 0.327403 Se\n0.500000 0.645811 0.971836 Se\n0.000000 0.430203 0.827403 Se\n0.000000 0.930203 0.672597 Se\n0.500000 0.145811 0.528164 Se\n0.500000 0.618190 0.531486 Se\n0.000000 0.544731 0.382054 O\n0.000000 0.455269 0.617946 O\n0.500000 0.827532 0.811951 O\n0.000000 0.044731 0.117946 O\n0.000000 0.955269 0.882054 O\n0.500000 0.172468 0.188049 O\n0.500000 0.327532 0.688049 O\n0.500000 0.672468 0.311951 O\n","nsites":40,"nelements":4,"elements":["Nd","V","Se","O"],"chemical_system":"Nd-O-Se-V","density":6.278092417234948,"density_atomic":0.04305332147661257,"volume":929.080466456666,"volume_molar":13.987633365921253,"formula_full":"Nd14 V2 Se16 O8","formula_reduced":"Nd7V(Se2O)4","formula_anonymous":"AB4C7D8","energy":-284.77041581,"energy_per_atom":-7.1192603952499995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-268.32241581,"band_gap":1.3952,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0037865,"is_theoretical":false,"updated_at":"2021-11-28T01:38:26.781000Z","spacegroup":55}]}