{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=74","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=72","results":[{"id":"mp-1185081","created_at":"2022-09-04T14:46:42.507725Z","structure_string":"K1 Eu3\n1.0\n5.885040 0.000000 0.000000\n0.000000 5.885040 0.000000\n0.000000 0.000000 5.885040\nK Eu\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n","nsites":4,"nelements":2,"elements":["K","Eu"],"chemical_system":"Eu-K","density":4.0327149826450315,"density_atomic":0.01962509348473448,"volume":203.82068514024806,"volume_molar":30.685921392855356,"formula_full":"K1 Eu3","formula_reduced":"KEu3","formula_anonymous":"AB3","energy":-31.07527938,"energy_per_atom":-7.768819845,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.07527938,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":21.9907608,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.392000Z","spacegroup":221},{"id":"mp-10597","created_at":"2022-09-04T14:46:42.507441Z","structure_string":"Ag2\n1.0\n1.476324 -2.557068 0.000000\n1.476324 2.557068 0.000000\n0.000000 0.000000 4.798321\nAg\n2\ndirect\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.750000 Ag\n","nsites":2,"nelements":1,"elements":["Ag"],"chemical_system":"Ag","density":9.888473947036914,"density_atomic":0.05520605890450403,"volume":36.22790758274593,"volume_molar":10.908477945178365,"formula_full":"Ag2","formula_reduced":"Ag","formula_anonymous":"A","energy":-5.6500297,"energy_per_atom":-2.82501485,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.6500297,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.24e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:47.726000Z","spacegroup":194},{"id":"mp-831077","created_at":"2022-09-04T14:46:41.979321Z","structure_string":"Li12 Mn4 B8 S2 O32\n1.0\n0.000000 6.632109 6.632109\n6.632109 0.000000 6.632109\n6.632109 6.632109 0.000000\nLi Mn B S O\n12 4 8 2 32\ndirect\n0.529993 0.970007 0.970007 Li\n0.529993 0.529993 0.970007 Li\n0.279993 0.279993 0.720007 Li\n0.970007 0.529993 0.529993 Li\n0.720007 0.279993 0.720007 Li\n0.279993 0.720007 0.279993 Li\n0.529993 0.970007 0.529993 Li\n0.970007 0.529993 0.970007 Li\n0.279993 0.720007 0.720007 Li\n0.720007 0.279993 0.279993 Li\n0.720007 0.720007 0.279993 Li\n0.970007 0.970007 0.529993 Li\n0.125000 0.625000 0.125000 Mn\n0.625000 0.125000 0.125000 Mn\n0.125000 0.125000 0.625000 Mn\n0.125000 0.125000 0.125000 Mn\n0.274934 0.908355 0.908355 B\n0.341645 0.341645 0.975066 B\n0.341645 0.341645 0.341645 B\n0.908355 0.274934 0.908355 B\n0.341645 0.975066 0.341645 B\n0.908355 0.908355 0.908355 B\n0.975066 0.341645 0.341645 B\n0.908355 0.908355 0.274934 B\n0.500000 0.500000 0.500000 S\n0.750000 0.750000 0.750000 S\n0.565209 0.565209 0.304372 O\n0.565209 0.565209 0.565209 O\n0.565209 0.304372 0.565209 O\n0.204963 0.497416 0.325581 O\n0.304372 0.565209 0.565209 O\n0.497416 0.204963 0.972040 O\n0.972040 0.325581 0.497416 O\n0.325581 0.497416 0.972040 O\n0.277960 0.045037 0.924419 O\n0.045037 0.277960 0.752584 O\n0.497416 0.325581 0.204963 O\n0.204963 0.325581 0.972040 O\n0.277960 0.752584 0.045037 O\n0.924419 0.045037 0.752584 O\n0.497416 0.972040 0.325581 O\n0.325581 0.972040 0.204963 O\n0.924419 0.277960 0.045037 O\n0.325581 0.204963 0.497416 O\n0.752584 0.277960 0.924419 O\n0.972040 0.497416 0.204963 O\n0.045037 0.924419 0.277960 O\n0.752584 0.924419 0.045037 O\n0.204963 0.972040 0.497416 O\n0.972040 0.204963 0.325581 O\n0.924419 0.752584 0.277960 O\n0.277960 0.924419 0.752584 O\n0.752584 0.045037 0.277960 O\n0.945628 0.684791 0.684791 O\n0.045037 0.752584 0.924419 O\n0.684791 0.945628 0.684791 O\n0.684791 0.684791 0.684791 O\n0.684791 0.684791 0.945628 O\n","nsites":58,"nelements":5,"elements":["Li","Mn","B","S","O"],"chemical_system":"B-Li-Mn-O-S","density":2.7484049590073343,"density_atomic":0.0994129661660203,"volume":583.4249015680673,"volume_molar":6.057701517469043,"formula_full":"Li12 Mn4 B8 S2 O32","formula_reduced":"Li6Mn2B4SO16","formula_anonymous":"AB2C4D6E16","energy":-418.1515514,"energy_per_atom":-7.209509506896552,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-389.4955514,"band_gap":1.6433999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0197938,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.228000Z","spacegroup":203},{"id":"mp-27017","created_at":"2022-09-04T14:46:41.979784Z","structure_string":"Li8 Sn8 P8 O32\n1.0\n5.013303 0.000000 0.000000\n0.000000 8.287835 0.000000\n0.000000 0.000000 18.722521\nLi Sn P O\n8 8 8 32\ndirect\n0.947134 0.011196 0.943870 Li\n0.438344 0.174331 0.346132 Li\n0.938344 0.325669 0.846132 Li\n0.447134 0.488804 0.443870 Li\n0.947134 0.511196 0.556130 Li\n0.438344 0.674331 0.153868 Li\n0.938344 0.825669 0.653868 Li\n0.447134 0.988804 0.056130 Li\n0.467082 0.061401 0.776093 Sn\n0.540172 0.159338 0.555119 Sn\n0.040172 0.340662 0.055119 Sn\n0.967082 0.438599 0.276093 Sn\n0.467082 0.561401 0.723907 Sn\n0.540172 0.659338 0.944881 Sn\n0.040172 0.840662 0.444881 Sn\n0.967082 0.938599 0.223907 Sn\n0.944078 0.207510 0.678632 P\n0.442987 0.235378 0.928976 P\n0.942987 0.264622 0.428976 P\n0.444078 0.292490 0.178632 P\n0.944078 0.707510 0.821368 P\n0.442987 0.735378 0.571024 P\n0.942987 0.764622 0.071024 P\n0.444078 0.792490 0.321368 P\n0.814430 0.055094 0.641661 O\n0.305625 0.097250 0.969662 O\n0.876172 0.102021 0.470733 O\n0.385844 0.144768 0.132497 O\n0.249289 0.179822 0.688109 O\n0.746132 0.213355 0.922509 O\n0.814087 0.222009 0.754963 O\n0.319796 0.252949 0.851803 O\n0.819796 0.247051 0.351803 O\n0.314087 0.277991 0.254963 O\n0.246132 0.286645 0.422509 O\n0.749289 0.320178 0.188109 O\n0.885844 0.355232 0.632497 O\n0.376172 0.397979 0.970733 O\n0.805625 0.402750 0.469663 O\n0.314430 0.444906 0.141661 O\n0.814430 0.555094 0.858339 O\n0.305625 0.597250 0.530338 O\n0.876172 0.602021 0.029267 O\n0.385844 0.644768 0.367503 O\n0.249289 0.679822 0.811891 O\n0.746132 0.713355 0.577491 O\n0.814087 0.722009 0.745037 O\n0.319796 0.752949 0.648197 O\n0.819796 0.747051 0.148197 O\n0.314087 0.777991 0.245037 O\n0.246132 0.786645 0.077491 O\n0.749289 0.820178 0.311891 O\n0.885844 0.855232 0.867503 O\n0.376172 0.897979 0.529267 O\n0.805625 0.902750 0.030338 O\n0.314430 0.944906 0.358339 O\n","nsites":56,"nelements":4,"elements":["Li","Sn","P","O"],"chemical_system":"Li-O-P-Sn","density":3.7675518498135134,"density_atomic":0.07198775841957157,"volume":777.9100395599355,"volume_molar":8.365506708655536,"formula_full":"Li8 Sn8 P8 O32","formula_reduced":"LiSnPO4","formula_anonymous":"ABCD4","energy":-387.36482442,"energy_per_atom":-6.9172290075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-365.38082442,"band_gap":3.4071,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:44.864000Z","spacegroup":33},{"id":"mp-674329","created_at":"2022-09-04T14:46:42.080244Z","structure_string":"La4 Cd2 Te8\n1.0\n-4.742537 4.742537 5.061019\n4.742537 -4.742537 5.061019\n4.742537 4.742537 -5.061019\nLa Cd Te\n4 2 8\ndirect\n0.375000 0.993678 0.118678 La\n0.743678 0.625000 0.618678 La\n0.875000 0.256322 0.881322 La\n0.006322 0.125000 0.381322 La\n0.250000 0.750000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.136996 0.511453 0.766156 Te\n0.004703 0.738547 0.125544 Te\n0.629159 0.863004 0.374456 Te\n0.261453 0.386996 0.266156 Te\n0.613004 0.879159 0.874456 Te\n0.488547 0.254703 0.625544 Te\n0.745297 0.370841 0.233844 Te\n0.120841 0.995297 0.733844 Te\n","nsites":14,"nelements":3,"elements":["La","Cd","Te"],"chemical_system":"Cd-La-Te","density":6.569044456538338,"density_atomic":0.030747415805515235,"volume":455.3228176492409,"volume_molar":19.58584356516815,"formula_full":"La4 Cd2 Te8","formula_reduced":"La2CdTe4","formula_anonymous":"AB2C4","energy":-66.3516524,"energy_per_atom":-4.739403742857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.9756524,"band_gap":0.8014000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0095542,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.386000Z","spacegroup":122},{"id":"mp-774424","created_at":"2022-09-04T14:46:42.425171Z","structure_string":"Li4 Mn4 V4 O16\n1.0\n6.085600 -0.000164 0.000029\n-0.000164 6.085879 -0.000057\n0.000040 -0.000077 8.359073\nLi Mn V O\n4 4 4 16\ndirect\n0.000018 0.250180 0.000022 Li\n0.000013 0.749889 0.500002 Li\n0.250172 0.000032 0.249987 Li\n0.749877 0.000015 0.749999 Li\n0.253782 0.253764 0.624990 Mn\n0.253822 0.746155 0.874991 Mn\n0.746106 0.253756 0.375026 Mn\n0.746202 0.746213 0.124989 Mn\n0.500034 0.773735 0.499993 V\n0.773745 0.500014 0.750003 V\n0.226229 0.500009 0.250004 V\n0.499994 0.226255 0.999993 V\n0.041618 0.273335 0.258122 O\n0.041621 0.726685 0.241885 O\n0.273308 0.041644 0.991869 O\n0.273381 0.958349 0.508108 O\n0.726668 0.041631 0.008121 O\n0.726728 0.958337 0.491884 O\n0.958365 0.273334 0.741881 O\n0.958366 0.726676 0.758132 O\n0.271828 0.484639 0.025505 O\n0.271836 0.515362 0.474506 O\n0.484609 0.271833 0.224496 O\n0.484640 0.728163 0.275501 O\n0.515358 0.271838 0.775495 O\n0.515378 0.728160 0.724495 O\n0.728154 0.515358 0.525503 O\n0.728150 0.484638 0.974502 O\n","nsites":28,"nelements":4,"elements":["Li","Mn","V","O"],"chemical_system":"Li-Mn-O-V","density":3.7935960514662033,"density_atomic":0.09044263297459225,"volume":309.58851018707014,"volume_molar":6.658519950090108,"formula_full":"Li4 Mn4 V4 O16","formula_reduced":"LiMnVO4","formula_anonymous":"ABCD4","energy":-224.48020811000004,"energy_per_atom":-8.017150289642858,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-200.01620811,"band_gap":1.3694000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":19.9925531,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.743000Z","spacegroup":95},{"id":"mp-770983","created_at":"2022-09-04T14:46:42.511326Z","structure_string":"Tb8 W4 O24\n1.0\n5.586643 8.212242 0.000000\n-5.586643 8.212242 0.000000\n0.000000 1.609951 5.187320\nTb W O\n8 4 24\ndirect\n0.105914 0.894086 0.750000 Tb\n0.633570 0.366430 0.750000 Tb\n0.943707 0.714362 0.383189 Tb\n0.714362 0.943707 0.883189 Tb\n0.285638 0.056293 0.116811 Tb\n0.056293 0.285638 0.616811 Tb\n0.366430 0.633570 0.250000 Tb\n0.894086 0.105914 0.250000 Tb\n0.505568 0.800310 0.566157 W\n0.199690 0.494432 0.933843 W\n0.800310 0.505568 0.066157 W\n0.494432 0.199690 0.433843 W\n0.892638 0.924168 0.078313 O\n0.526736 0.938385 0.262728 O\n0.312712 0.840040 0.420838 O\n0.544293 0.611882 0.520761 O\n0.388118 0.455707 0.979239 O\n0.159960 0.687288 0.079162 O\n0.924168 0.892638 0.578313 O\n0.175660 0.619831 0.616531 O\n0.619831 0.175660 0.116531 O\n0.215978 0.317361 0.852858 O\n0.317361 0.215978 0.352858 O\n0.061615 0.473264 0.237272 O\n0.938385 0.526736 0.762728 O\n0.682639 0.784022 0.647142 O\n0.784022 0.682639 0.147142 O\n0.380169 0.824340 0.883469 O\n0.824340 0.380169 0.383469 O\n0.075832 0.107362 0.421687 O\n0.840040 0.312712 0.920838 O\n0.611882 0.544293 0.020761 O\n0.455707 0.388118 0.479239 O\n0.687288 0.159960 0.579162 O\n0.473264 0.061615 0.737272 O\n0.107362 0.075832 0.921687 O\n","nsites":36,"nelements":3,"elements":["Tb","W","O"],"chemical_system":"O-Tb-W","density":8.340599680643024,"density_atomic":0.07563395426352859,"volume":475.97670055127,"volume_molar":7.962218581111439,"formula_full":"Tb8 W4 O24","formula_reduced":"Tb2WO6","formula_anonymous":"AB2C6","energy":-325.45007373,"energy_per_atom":-9.040279825833332,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-291.21007373,"band_gap":2.9194,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015671,"is_theoretical":true,"updated_at":"2021-11-28T01:37:42.989000Z","spacegroup":15},{"id":"mp-1189601","created_at":"2022-09-04T14:46:42.592414Z","structure_string":"Tm4 Si10 Ni6\n1.0\n-2.798966 4.811172 5.495988\n2.798966 -4.811172 5.495988\n2.798966 4.811172 -5.495988\nTm Si Ni\n4 10 6\ndirect\n0.867033 0.630189 0.236844 Tm\n0.132967 0.369811 0.763156 Tm\n0.393346 0.130189 0.263156 Tm\n0.606654 0.869811 0.736844 Tm\n0.500000 0.750000 0.250000 Si\n0.500000 0.250000 0.750000 Si\n0.236375 0.986375 0.750000 Si\n0.763625 0.513625 0.750000 Si\n0.763625 0.013625 0.250000 Si\n0.236375 0.486375 0.250000 Si\n0.042266 0.891144 0.151123 Si\n0.957734 0.108856 0.848877 Si\n0.740021 0.391144 0.348877 Si\n0.259979 0.608856 0.651123 Si\n0.000000 0.750000 0.750000 Ni\n0.000000 0.250000 0.250000 Ni\n0.250136 0.866404 0.383731 Ni\n0.749864 0.133596 0.616269 Ni\n0.482673 0.366404 0.116269 Ni\n0.517327 0.633596 0.883731 Ni\n","nsites":20,"nelements":3,"elements":["Tm","Si","Ni"],"chemical_system":"Ni-Si-Tm","density":7.340949933100688,"density_atomic":0.06755783481909816,"volume":296.04264336704483,"volume_molar":8.914052346594122,"formula_full":"Tm4 Si10 Ni6","formula_reduced":"Tm2Si5Ni3","formula_anonymous":"A2B3C5","energy":-121.59796916000002,"energy_per_atom":-6.079898458000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-122.30796916,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002421,"is_theoretical":false,"updated_at":"2021-11-28T01:37:43.912000Z","spacegroup":72},{"id":"mp-1110700","created_at":"2022-09-04T14:46:42.597049Z","structure_string":"Rb2 Na1 Sb1 Br6\n1.0\n0.000000 5.731248 5.731248\n5.731248 0.000000 5.731248\n5.731248 5.731248 0.000000\nRb Na Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.754805 0.245195 0.245195 Br\n0.245195 0.245195 0.754805 Br\n0.245195 0.754805 0.754805 Br\n0.245195 0.754805 0.245195 Br\n0.754805 0.245195 0.754805 Br\n0.754805 0.754805 0.245195 Br\n","nsites":10,"nelements":4,"elements":["Rb","Na","Sb","Br"],"chemical_system":"Br-Na-Rb-Sb","density":3.506698022734248,"density_atomic":0.026559653198578382,"volume":376.51094030607504,"volume_molar":22.674018802031416,"formula_full":"Rb2 Na1 Sb1 Br6","formula_reduced":"Rb2NaSbBr6","formula_anonymous":"ABC2D6","energy":-33.19835317,"energy_per_atom":-3.319835317,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.99435317,"band_gap":2.5605,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023119,"is_theoretical":true,"updated_at":"2021-11-28T01:37:44.063000Z","spacegroup":225},{"id":"mp-780440","created_at":"2022-09-04T14:46:42.092424Z","structure_string":"Li8 Mn1 Fe7 B8 O24\n1.0\n5.239848 0.000000 0.000000\n-2.454734 -5.439913 0.000000\n-2.466548 1.008518 -17.507494\nLi Mn Fe B O\n8 1 7 8 24\ndirect\n0.146449 0.912474 0.231747 Li\n0.354882 0.588818 0.266610 Li\n0.100502 0.833933 0.518270 Li\n0.397739 0.662032 0.982839 Li\n0.600163 0.336632 0.016373 Li\n0.896318 0.163071 0.483024 Li\n0.648816 0.412745 0.733563 Li\n0.851560 0.087637 0.767064 Li\n0.357703 0.166831 0.396880 Mn\n0.598359 0.908370 0.144951 Fe\n0.648433 0.841114 0.605574 Fe\n0.144308 0.338094 0.104997 Fe\n0.906355 0.594153 0.352814 Fe\n0.102375 0.409776 0.645277 Fe\n0.849433 0.659223 0.894944 Fe\n0.396495 0.089179 0.855558 Fe\n0.487769 0.694864 0.435198 B\n0.235360 0.941855 0.684941 B\n0.014681 0.808612 0.065115 B\n0.733472 0.440250 0.183537 B\n0.264646 0.558940 0.815643 B\n0.984736 0.191819 0.934346 B\n0.765704 0.054783 0.314409 B\n0.514717 0.308944 0.566956 B\n0.540117 0.961144 0.255810 O\n0.254936 0.760567 0.066625 O\n0.000597 0.000621 0.315258 O\n0.997554 0.947516 0.126507 O\n0.709248 0.790018 0.494046 O\n0.793504 0.710853 0.006073 O\n0.503746 0.557706 0.373103 O\n0.251528 0.801675 0.623671 O\n0.494581 0.489580 0.182111 O\n0.244500 0.738416 0.434379 O\n0.248834 0.697674 0.877446 O\n0.955935 0.535981 0.242479 O\n0.043386 0.461353 0.756869 O\n0.748417 0.300273 0.122099 O\n0.753812 0.260068 0.567679 O\n0.505755 0.512180 0.816649 O\n0.756910 0.198586 0.375593 O\n0.501501 0.450546 0.628073 O\n0.206436 0.288918 0.993451 O\n0.289509 0.210541 0.508551 O\n0.000956 0.052573 0.872849 O\n0.996196 0.991405 0.682932 O\n0.744281 0.238976 0.932975 O\n0.456784 0.038681 0.744139 O\n","nsites":48,"nelements":5,"elements":["Li","Mn","Fe","B","O"],"chemical_system":"B-Fe-Li-Mn-O","density":3.2338195552756805,"density_atomic":0.09618483584342544,"volume":499.03916328491573,"volume_molar":6.261008512613305,"formula_full":"Li8 Mn1 Fe7 B8 O24","formula_reduced":"Li8MnFe7(BO3)8","formula_anonymous":"AB7C8D8E24","energy":-369.07734364,"energy_per_atom":-7.689111325833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-335.12934364,"band_gap":2.6817,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":33.0007123,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.156000Z","spacegroup":1},{"id":"mp-725881","created_at":"2022-09-04T14:46:42.106157Z","structure_string":"Pb8 N4 Cl20\n1.0\n8.006341 0.000000 0.000000\n0.000000 8.770171 0.000000\n0.000000 0.121050 12.514976\nPb N Cl\n8 4 20\ndirect\n0.524964 0.496475 0.674596 Pb\n0.024964 0.503525 0.825404 Pb\n0.475036 0.503525 0.325404 Pb\n0.975036 0.496475 0.174596 Pb\n0.570683 0.236530 0.995922 Pb\n0.070683 0.763470 0.504078 Pb\n0.429317 0.763470 0.004078 Pb\n0.929317 0.236530 0.495922 Pb\n0.442816 0.006893 0.336013 N\n0.942816 0.993107 0.163987 N\n0.557184 0.993107 0.663987 N\n0.057184 0.006893 0.836013 N\n0.174440 0.043713 0.579040 Cl\n0.674440 0.956287 0.920960 Cl\n0.825560 0.956287 0.420960 Cl\n0.325560 0.043713 0.079040 Cl\n0.168741 0.459860 0.592120 Cl\n0.668741 0.540140 0.907880 Cl\n0.831259 0.540140 0.407880 Cl\n0.331259 0.459860 0.092120 Cl\n0.350003 0.284684 0.819215 Cl\n0.850003 0.715316 0.680785 Cl\n0.649997 0.715316 0.180785 Cl\n0.149997 0.284684 0.319215 Cl\n0.953623 0.279740 0.998176 Cl\n0.453623 0.720260 0.501824 Cl\n0.046377 0.720260 0.001824 Cl\n0.546377 0.279740 0.498176 Cl\n0.817280 0.278363 0.712009 Cl\n0.317280 0.721637 0.787991 Cl\n0.182720 0.721637 0.287991 Cl\n0.682720 0.278363 0.212009 Cl\n","nsites":32,"nelements":3,"elements":["Pb","N","Cl"],"chemical_system":"Cl-N-Pb","density":4.577983308035189,"density_atomic":0.036414790240251536,"volume":878.7638151661905,"volume_molar":16.537623092891945,"formula_full":"Pb8 N4 Cl20","formula_reduced":"Pb2NCl5","formula_anonymous":"AB2C5","energy":-116.17868459,"energy_per_atom":-3.6305838934375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.89868459,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.7438292,"is_theoretical":false,"updated_at":"2021-11-28T01:37:46.965000Z","spacegroup":14},{"id":"mp-1371798","created_at":"2022-09-04T14:46:42.268521Z","structure_string":"Ba2 Tl2 Zn3 Cu4 O12\n1.0\n-1.912091 1.912091 20.771067\n1.912091 -1.912091 20.771067\n1.912091 1.912091 -20.771067\nBa Tl Zn Cu O\n2 2 3 4 12\ndirect\n0.153767 0.153767 0.000000 Ba\n0.846233 0.846233 0.000000 Ba\n0.722502 0.722502 0.000000 Tl\n0.277498 0.277498 0.000000 Tl\n0.073130 0.073130 0.000000 Zn\n0.926870 0.926870 0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.536232 0.536232 0.000000 Cu\n0.396121 0.396121 0.000000 Cu\n0.603879 0.603879 0.000000 Cu\n0.463768 0.463768 0.000000 Cu\n0.895877 0.395877 0.500000 O\n0.034761 0.534761 0.500000 O\n0.226483 0.226483 0.000000 O\n0.465239 0.965239 0.500000 O\n0.773517 0.773517 0.000000 O\n0.604123 0.104123 0.500000 O\n0.104123 0.604123 0.500000 O\n0.327326 0.327326 0.000000 O\n0.395877 0.895877 0.500000 O\n0.534761 0.034761 0.500000 O\n0.965239 0.465239 0.500000 O\n0.672674 0.672674 0.000000 O\n","nsites":23,"nelements":5,"elements":["Ba","Tl","Zn","Cu","O"],"chemical_system":"Ba-Cu-O-Tl-Zn","density":7.247683039641484,"density_atomic":0.07571674285556873,"volume":303.7637269193285,"volume_molar":7.953512701262598,"formula_full":"Ba2 Tl2 Zn3 Cu4 O12","formula_reduced":"Ba2Tl2Zn3(CuO3)4","formula_anonymous":"A2B2C3D4E12","energy":-120.06386383999998,"energy_per_atom":-5.220167993043478,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-111.81986384,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008071,"is_theoretical":true,"updated_at":"2021-11-28T01:37:41.868000Z","spacegroup":139}]}