{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=updated_at&page=64","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=updated_at&page=62","results":[{"id":"mp-1188074","created_at":"2022-09-04T14:39:22.396448Z","structure_string":"Zn6 In2\n1.0\n2.566019 -6.513539 0.000000\n2.566019 6.513539 0.000000\n0.000000 0.000000 4.531840\nZn In\n6 2\ndirect\n0.884601 0.115399 0.750000 Zn\n0.328921 0.184522 0.750000 Zn\n0.815478 0.671079 0.750000 Zn\n0.115399 0.884601 0.250000 Zn\n0.671079 0.815478 0.250000 Zn\n0.184522 0.328921 0.250000 Zn\n0.705324 0.294676 0.250000 In\n0.294676 0.705324 0.750000 In\n","nsites":8,"nelements":2,"elements":["Zn","In"],"chemical_system":"In-Zn","density":6.819002787916888,"density_atomic":0.05280907218680142,"volume":151.48912239362238,"volume_molar":11.403610233290777,"formula_full":"Zn6 In2","formula_reduced":"Zn3In","formula_anonymous":"AB3","energy":-12.53022154,"energy_per_atom":-1.5662776925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.53022154,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007815,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.457000Z","spacegroup":63},{"id":"mp-1207653","created_at":"2022-09-04T14:39:37.321432Z","structure_string":"Yb6 Cu22 Si8\n1.0\n-4.161873 -7.208576 0.000000\n-4.161873 7.208576 0.000000\n0.000000 0.000000 -8.637000\nYb Cu Si\n6 22 8\ndirect\n0.801979 0.198020 0.750000 Yb\n0.198020 0.801979 0.250000 Yb\n0.396041 0.198020 0.750000 Yb\n0.603959 0.801979 0.250000 Yb\n0.801979 0.603959 0.750000 Yb\n0.198020 0.396041 0.250000 Yb\n0.850093 0.149907 0.409118 Cu\n0.149907 0.850093 0.590882 Cu\n0.299813 0.149907 0.409118 Cu\n0.149907 0.850093 0.909118 Cu\n0.700187 0.850093 0.590882 Cu\n0.850093 0.149907 0.090882 Cu\n0.850093 0.700187 0.409118 Cu\n0.700187 0.850093 0.909118 Cu\n0.149907 0.299813 0.590882 Cu\n0.299813 0.149907 0.090882 Cu\n0.149907 0.299813 0.909118 Cu\n0.850093 0.700187 0.090882 Cu\n0.436396 0.563604 0.750000 Cu\n0.563604 0.436396 0.250000 Cu\n0.127208 0.563604 0.750000 Cu\n0.872792 0.436396 0.250000 Cu\n0.436396 0.872792 0.750000 Cu\n0.563604 0.127208 0.250000 Cu\n0.666667 0.333333 0.009770 Cu\n0.333333 0.666667 0.990230 Cu\n0.333333 0.666667 0.509770 Cu\n0.666667 0.333333 0.490230 Cu\n0.500000 0.500000 0.000000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.000000 0.750000 Si\n0.000000 0.000000 0.250000 Si\n","nsites":36,"nelements":3,"elements":["Yb","Cu","Si"],"chemical_system":"Cu-Si-Yb","density":8.526136990845014,"density_atomic":0.06946583819241034,"volume":518.2403457118763,"volume_molar":8.669211970522172,"formula_full":"Yb6 Cu22 Si8","formula_reduced":"Yb3Cu11Si4","formula_anonymous":"A3B4C11","energy":-152.08641118,"energy_per_atom":-4.2246225327777776,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-152.65441118,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0702854,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.457000Z","spacegroup":194},{"id":"mp-1094998","created_at":"2022-09-04T14:39:41.364285Z","structure_string":"Ca1 Mg1\n1.0\n4.036242 0.000000 0.000000\n0.000000 4.036242 0.000000\n0.000000 0.000000 3.840635\nCa Mg\n1 1\ndirect\n0.000000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Mg\n","nsites":2,"nelements":2,"elements":["Ca","Mg"],"chemical_system":"Ca-Mg","density":1.7086884228965866,"density_atomic":0.031964842275823246,"volume":62.568742956467176,"volume_molar":18.839888863005193,"formula_full":"Ca1 Mg1","formula_reduced":"CaMg","formula_anonymous":"AB","energy":-3.76338711,"energy_per_atom":-1.881693555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.76338711,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003661,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.457000Z","spacegroup":123},{"id":"mp-1214988","created_at":"2022-09-04T14:39:24.825850Z","structure_string":"Ag2 Mo12 Cl26\n1.0\n9.105344 0.000000 0.000000\n-3.806234 8.378461 0.000000\n-3.047556 -3.064493 13.508853\nAg Mo Cl\n2 12 26\ndirect\n0.017996 0.252513 0.772634 Ag\n0.982004 0.747487 0.227366 Ag\n0.314268 0.381936 0.542578 Mo\n0.685732 0.618064 0.457422 Mo\n0.363111 0.544539 0.401440 Mo\n0.636889 0.455461 0.598560 Mo\n0.702496 0.002909 0.064171 Mo\n0.297504 0.997091 0.935829 Mo\n0.604901 0.227525 0.025566 Mo\n0.395099 0.772475 0.974434 Mo\n0.455966 0.310265 0.413075 Mo\n0.544034 0.689735 0.586925 Mo\n0.447331 0.010153 0.119783 Mo\n0.552669 0.989847 0.880217 Mo\n0.067074 0.222914 0.597225 Cl\n0.932926 0.777086 0.402775 Cl\n0.236967 0.611249 0.528539 Cl\n0.763033 0.388751 0.471461 Cl\n0.745770 0.526961 0.066214 Cl\n0.254230 0.473039 0.933786 Cl\n0.160539 0.788613 0.028959 Cl\n0.839461 0.211387 0.971041 Cl\n0.412376 0.166861 0.551322 Cl\n0.587624 0.833139 0.448678 Cl\n0.508066 0.476202 0.286107 Cl\n0.491934 0.523798 0.713893 Cl\n0.354069 0.216257 0.074152 Cl\n0.645931 0.783743 0.925848 Cl\n0.541456 0.796531 0.149805 Cl\n0.458544 0.203469 0.850195 Cl\n0.389850 0.047227 0.290724 Cl\n0.610150 0.952773 0.709276 Cl\n0.741365 0.226694 0.197312 Cl\n0.258635 0.773306 0.802688 Cl\n0.964226 0.994462 0.146984 Cl\n0.035774 0.005538 0.853016 Cl\n0.154306 0.251595 0.367433 Cl\n0.845694 0.748405 0.632567 Cl\n0.179976 0.591081 0.266237 Cl\n0.820024 0.408919 0.733763 Cl\n","nsites":40,"nelements":3,"elements":["Ag","Mo","Cl"],"chemical_system":"Ag-Cl-Mo","density":3.687880103720114,"density_atomic":0.03881333001912424,"volume":1030.5737740176137,"volume_molar":15.515650826746253,"formula_full":"Ag2 Mo12 Cl26","formula_reduced":"AgMo6Cl13","formula_anonymous":"AB6C13","energy":-235.20479770000003,"energy_per_atom":-5.8801199425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-219.2407977,"band_gap":2.3227,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003175,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.457000Z","spacegroup":2},{"id":"mp-1388646","created_at":"2022-09-04T14:39:05.498720Z","structure_string":"Zn2 Fe4 O8\n1.0\n5.202381 -0.012977 -2.985318\n-3.461326 4.908785 -0.019634\n-0.008244 0.009214 5.989486\nZn Fe O\n2 4 8\ndirect\n0.254517 0.127346 0.881605 Zn\n0.745481 0.872657 0.118424 Zn\n0.500029 0.000058 0.499989 Fe\n0.500034 0.499972 0.499997 Fe\n0.999994 0.499998 0.999994 Fe\n0.999920 0.499959 0.499955 Fe\n0.017976 0.735092 0.252311 O\n0.476156 0.738306 0.715777 O\n0.472689 0.736095 0.255419 O\n0.982195 0.717112 0.748729 O\n0.527296 0.263893 0.744567 O\n0.523909 0.261726 0.284317 O\n0.017798 0.282876 0.251252 O\n0.982009 0.264909 0.747666 O\n","nsites":14,"nelements":3,"elements":["Zn","Fe","O"],"chemical_system":"Fe-O-Zn","density":5.244923546966088,"density_atomic":0.09170584537620402,"volume":152.66202435153323,"volume_molar":6.566801423939149,"formula_full":"Zn2 Fe4 O8","formula_reduced":"Zn(FeO2)2","formula_anonymous":"AB2C4","energy":-100.2046983,"energy_per_atom":-7.15747845,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.6846983,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":19.9999991,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.458000Z","spacegroup":166},{"id":"mp-1094179","created_at":"2022-09-04T14:39:35.032133Z","structure_string":"La2 Mg4\n1.0\n3.035580 -5.053110 0.000000\n3.035580 5.053110 0.000000\n0.000000 0.000000 5.538973\nLa Mg\n2 4\ndirect\n0.680891 0.680891 0.750000 La\n0.319109 0.319109 0.250000 La\n0.989284 0.325661 0.750000 Mg\n0.325661 0.989284 0.750000 Mg\n0.674339 0.010716 0.250000 Mg\n0.010716 0.674339 0.250000 Mg\n","nsites":6,"nelements":2,"elements":["La","Mg"],"chemical_system":"La-Mg","density":3.664852640746882,"density_atomic":0.035309500290609266,"volume":169.92593921233512,"volume_molar":17.055298745198094,"formula_full":"La2 Mg4","formula_reduced":"LaMg2","formula_anonymous":"AB2","energy":-16.27328708,"energy_per_atom":-2.712214513333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.27328708,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023832,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.461000Z","spacegroup":63},{"id":"mp-559756","created_at":"2022-09-04T14:39:10.158961Z","structure_string":"Pr4 Sc4 O12\n1.0\n5.643130 0.000000 0.000000\n0.000000 5.855536 0.000000\n0.000000 0.000000 8.111865\nPr Sc O\n4 4 12\ndirect\n0.985229 0.054550 0.750000 Pr\n0.514771 0.554550 0.750000 Pr\n0.485229 0.445450 0.250000 Pr\n0.014771 0.945450 0.250000 Pr\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n0.699914 0.299438 0.556433 O\n0.893429 0.539454 0.250000 O\n0.800086 0.799438 0.943567 O\n0.106571 0.460546 0.750000 O\n0.300086 0.700562 0.056433 O\n0.199914 0.200562 0.443567 O\n0.800086 0.799438 0.556433 O\n0.393429 0.960546 0.750000 O\n0.300086 0.700562 0.443567 O\n0.199914 0.200562 0.056433 O\n0.699914 0.299438 0.943567 O\n0.606571 0.039454 0.250000 O\n","nsites":20,"nelements":3,"elements":["Pr","Sc","O"],"chemical_system":"O-Pr-Sc","density":5.795099290314211,"density_atomic":0.07461438620416408,"volume":268.044823759253,"volume_molar":8.07101829333807,"formula_full":"Pr4 Sc4 O12","formula_reduced":"PrScO3","formula_anonymous":"ABC3","energy":-181.45810217,"energy_per_atom":-9.072905108499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-173.21410217,"band_gap":4.2605,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.463000Z","spacegroup":62},{"id":"mp-1076206","created_at":"2022-09-04T14:39:06.457431Z","structure_string":"K16 Na16 Nb8 W24 O80\n1.0\n0.031995 0.018796 11.584984\n11.741869 0.051400 0.033047\n-5.818569 15.535045 -5.783990\nK Na Nb W O\n16 16 8 24 80\ndirect\n0.300889 0.064127 0.111358 K\n0.302379 0.559066 0.111077 K\n0.803027 0.059869 0.113311 K\n0.801575 0.556549 0.107985 K\n0.199288 0.937181 0.389372 K\n0.191480 0.929424 0.879386 K\n0.699157 0.441195 0.394762 K\n0.687774 0.420610 0.878506 K\n0.697231 0.934803 0.389940 K\n0.053430 0.298459 0.110105 K\n0.053622 0.793918 0.109453 K\n0.549232 0.295930 0.109906 K\n0.554018 0.796379 0.109473 K\n0.449559 0.709353 0.392177 K\n0.441741 0.705037 0.882767 K\n0.939842 0.702293 0.877262 K\n0.302239 0.073935 0.600853 Na\n0.304584 0.566298 0.601987 Na\n0.806205 0.059429 0.598644 Na\n0.812474 0.567406 0.604009 Na\n0.198774 0.443241 0.402019 Na\n0.200546 0.434083 0.899066 Na\n0.701329 0.936108 0.898372 Na\n0.052648 0.282682 0.596220 Na\n0.064564 0.789214 0.603216 Na\n0.558212 0.282702 0.601734 Na\n0.556693 0.785264 0.600872 Na\n0.447050 0.211476 0.403948 Na\n0.446790 0.217366 0.896435 Na\n0.946323 0.214526 0.401419 Na\n0.954485 0.213474 0.899708 Na\n0.947241 0.714064 0.402363 Na\n0.107828 0.095340 0.744085 Nb\n0.124653 0.573482 0.743574 Nb\n0.577019 0.068889 0.746738 Nb\n0.597862 0.581281 0.741874 Nb\n0.322619 0.414997 0.744734 Nb\n0.376171 0.921351 0.744855 Nb\n0.864726 0.397996 0.742332 Nb\n0.840785 0.921335 0.747227 Nb\n0.001033 0.999098 0.996390 W\n0.013301 0.003150 0.503716 W\n0.000224 0.495469 0.994829 W\n0.014310 0.504102 0.504485 W\n0.501167 0.997592 0.996011 W\n0.511391 0.005466 0.508349 W\n0.499709 0.498242 0.994251 W\n0.513825 0.502385 0.507077 W\n0.251806 0.248466 0.995102 W\n0.261359 0.256925 0.505791 W\n0.248408 0.745469 0.993452 W\n0.264574 0.752971 0.505859 W\n0.748489 0.242918 0.993563 W\n0.764171 0.251913 0.506090 W\n0.749725 0.745100 0.992798 W\n0.765121 0.755310 0.508400 W\n0.105012 0.106902 0.259161 W\n0.093288 0.611472 0.256858 W\n0.602511 0.100913 0.257468 W\n0.601567 0.605313 0.251979 W\n0.343349 0.400111 0.257677 W\n0.364066 0.895390 0.249644 W\n0.854242 0.401888 0.252234 W\n0.865239 0.893731 0.249618 W\n0.126629 0.126033 0.489412 O\n0.117189 0.119396 0.980957 O\n0.129685 0.621800 0.490071 O\n0.118250 0.612367 0.978953 O\n0.631287 0.128434 0.499455 O\n0.619958 0.113987 0.983495 O\n0.633614 0.625273 0.498901 O\n0.618946 0.615670 0.980917 O\n0.127101 0.373424 0.997911 O\n0.146812 0.389848 0.521262 O\n0.126734 0.874190 0.999622 O\n0.148511 0.888390 0.524111 O\n0.623377 0.369675 0.997468 O\n0.650518 0.388697 0.528228 O\n0.629518 0.875082 0.000275 O\n0.647630 0.888362 0.525390 O\n0.382492 0.128424 0.498404 O\n0.370501 0.117675 0.980452 O\n0.380004 0.617808 0.495211 O\n0.368196 0.616556 0.985098 O\n0.880903 0.120838 0.490240 O\n0.868277 0.114440 0.980757 O\n0.886539 0.626792 0.499807 O\n0.868979 0.614403 0.981768 O\n0.377216 0.376074 0.000007 O\n0.400827 0.388169 0.528229 O\n0.377114 0.876508 0.002281 O\n0.397867 0.888469 0.526158 O\n0.876136 0.369786 0.997822 O\n0.899335 0.385917 0.524058 O\n0.875336 0.875893 0.999942 O\n0.900274 0.889335 0.526782 O\n0.065506 0.079963 0.134219 O\n0.086578 0.118137 0.640782 O\n0.069040 0.569263 0.132526 O\n0.096678 0.610463 0.643471 O\n0.564494 0.077371 0.133735 O\n0.574441 0.097372 0.646069 O\n0.574675 0.579721 0.130562 O\n0.585685 0.615847 0.644111 O\n0.444584 0.396951 0.371332 O\n0.420996 0.414873 0.854278 O\n0.443224 0.927632 0.373011 O\n0.442552 0.911019 0.854155 O\n0.950286 0.400066 0.368570 O\n0.935780 0.395823 0.855018 O\n0.942733 0.902255 0.370326 O\n0.931180 0.914781 0.855659 O\n0.316340 0.304807 0.134837 O\n0.316084 0.291804 0.642459 O\n0.312973 0.798764 0.130836 O\n0.341576 0.785158 0.644058 O\n0.824057 0.297106 0.134256 O\n0.841274 0.267152 0.641571 O\n0.818424 0.795143 0.130836 O\n0.833885 0.792578 0.647329 O\n0.204306 0.225760 0.369180 O\n0.189954 0.209984 0.853401 O\n0.204888 0.709056 0.371831 O\n0.188060 0.693773 0.852376 O\n0.703437 0.211568 0.370257 O\n0.671488 0.182230 0.854191 O\n0.704591 0.702276 0.371493 O\n0.678929 0.699009 0.850546 O\n0.451606 0.072591 0.273242 O\n0.405383 0.093427 0.746970 O\n0.453757 0.531584 0.253980 O\n0.431540 0.541291 0.734063 O\n0.956818 0.066418 0.276902 O\n0.946869 0.051115 0.744275 O\n0.943359 0.564298 0.271525 O\n0.946491 0.533284 0.732614 O\n0.189867 0.449470 0.266613 O\n0.150551 0.402648 0.745444 O\n0.205388 0.964018 0.245830 O\n0.195391 0.956800 0.735020 O\n0.695985 0.452257 0.250925 O\n0.700250 0.450254 0.734704 O\n0.709444 0.962692 0.247040 O\n0.670895 0.922003 0.746202 O\n","nsites":144,"nelements":5,"elements":["K","Na","Nb","W","O"],"chemical_system":"K-Na-Nb-O-W","density":5.824433667837679,"density_atomic":0.06799078574053675,"volume":2117.934046968159,"volume_molar":8.857289549471322,"formula_full":"K16 Na16 Nb8 W24 O80","formula_reduced":"K2Na2NbW3O10","formula_anonymous":"AB2C2D3E10","energy":-1117.00727811,"energy_per_atom":-7.756994986875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-955.53527811,"band_gap":0.1203999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":50.0038416,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.465000Z","spacegroup":1},{"id":"mp-1215159","created_at":"2022-09-04T14:39:22.215865Z","structure_string":"Ba12 Na4 Mn16 Si24 O92\n1.0\n0.000000 0.000000 -7.115766\n0.000000 -12.694901 -0.000000\n-23.197250 0.000000 0.000000\nBa Na Mn Si O\n12 4 16 24 92\ndirect\n0.987413 0.489314 0.798385 Ba\n0.012587 0.510686 0.201615 Ba\n0.487413 0.510686 0.701615 Ba\n0.012587 0.989314 0.201615 Ba\n0.512587 0.489314 0.298385 Ba\n0.987413 0.010686 0.798385 Ba\n0.512587 0.010686 0.298385 Ba\n0.487413 0.989314 0.701615 Ba\n0.978691 0.750000 0.501827 Ba\n0.021309 0.250000 0.498173 Ba\n0.478691 0.250000 0.998173 Ba\n0.521309 0.750000 0.001827 Ba\n0.107067 0.750000 0.908869 Na\n0.892933 0.250000 0.091131 Na\n0.607067 0.250000 0.591131 Na\n0.392933 0.750000 0.408869 Na\n0.991334 0.886347 0.659207 Mn\n0.008666 0.113653 0.340793 Mn\n0.491334 0.113653 0.840793 Mn\n0.008666 0.386347 0.340793 Mn\n0.508666 0.886347 0.159207 Mn\n0.991334 0.613653 0.659207 Mn\n0.508666 0.613653 0.159207 Mn\n0.491334 0.386347 0.840793 Mn\n0.506436 0.871206 0.848979 Mn\n0.493564 0.128794 0.151021 Mn\n0.006436 0.128794 0.651021 Mn\n0.493564 0.371206 0.151021 Mn\n0.993564 0.871206 0.348979 Mn\n0.506436 0.628794 0.848979 Mn\n0.993564 0.628794 0.348979 Mn\n0.006436 0.371206 0.651021 Mn\n0.777854 0.750000 0.761753 Si\n0.222146 0.250000 0.238247 Si\n0.277854 0.250000 0.738247 Si\n0.722146 0.750000 0.261753 Si\n0.801291 0.473059 0.935813 Si\n0.198709 0.526941 0.064186 Si\n0.301291 0.526941 0.564187 Si\n0.198709 0.973059 0.064186 Si\n0.698709 0.473059 0.435814 Si\n0.801291 0.026941 0.935813 Si\n0.698709 0.026941 0.435814 Si\n0.301291 0.973059 0.564187 Si\n0.748620 0.993294 0.562600 Si\n0.251380 0.006706 0.437400 Si\n0.248620 0.006706 0.937400 Si\n0.251380 0.493294 0.437400 Si\n0.751380 0.993294 0.062600 Si\n0.748620 0.506706 0.562600 Si\n0.751380 0.506706 0.062600 Si\n0.248620 0.493294 0.937400 Si\n0.176496 0.750000 0.760751 Si\n0.823504 0.250000 0.239249 Si\n0.676496 0.250000 0.739249 Si\n0.323504 0.750000 0.260751 Si\n0.668405 0.859455 0.776276 O\n0.331595 0.140545 0.223724 O\n0.168405 0.140545 0.723724 O\n0.331595 0.359455 0.223724 O\n0.831595 0.859455 0.276276 O\n0.668405 0.640545 0.776276 O\n0.831595 0.640545 0.276276 O\n0.168405 0.359455 0.723724 O\n0.476988 0.993605 0.419912 O\n0.523012 0.006395 0.580088 O\n0.976988 0.006395 0.080088 O\n0.523012 0.493605 0.580088 O\n0.023012 0.993605 0.919912 O\n0.476988 0.506395 0.419912 O\n0.023012 0.506395 0.919912 O\n0.976988 0.493605 0.080088 O\n0.337141 0.750000 0.811490 O\n0.662859 0.250000 0.188510 O\n0.837141 0.250000 0.688510 O\n0.162859 0.750000 0.311490 O\n0.677692 0.358121 0.778958 O\n0.322308 0.641879 0.221042 O\n0.177692 0.641879 0.721042 O\n0.322308 0.858121 0.221042 O\n0.822308 0.358121 0.278958 O\n0.677692 0.141879 0.778958 O\n0.822308 0.141879 0.278958 O\n0.177692 0.858121 0.721042 O\n0.876378 0.487645 0.688871 O\n0.123621 0.512355 0.311129 O\n0.376379 0.512355 0.811129 O\n0.123621 0.987645 0.311129 O\n0.623622 0.487645 0.188871 O\n0.876378 0.012355 0.688871 O\n0.623622 0.012355 0.188871 O\n0.376379 0.987645 0.811129 O\n0.344472 0.893692 0.920190 O\n0.655528 0.106308 0.079810 O\n0.844472 0.106308 0.579810 O\n0.655528 0.393692 0.079810 O\n0.155528 0.893692 0.420190 O\n0.344472 0.606308 0.920190 O\n0.155528 0.606308 0.420190 O\n0.844472 0.393692 0.579810 O\n0.021209 0.750000 0.007985 O\n0.978791 0.250000 0.992015 O\n0.521209 0.250000 0.492015 O\n0.478791 0.750000 0.507985 O\n0.738767 0.958424 0.993697 O\n0.261233 0.041576 0.006303 O\n0.238767 0.041576 0.506303 O\n0.261233 0.458424 0.006303 O\n0.761233 0.958424 0.493697 O\n0.738767 0.541576 0.993697 O\n0.761233 0.541576 0.493697 O\n0.238767 0.458424 0.506303 O\n0.685956 0.991020 0.877295 O\n0.314044 0.008980 0.122705 O\n0.185956 0.008980 0.622705 O\n0.314044 0.491020 0.122705 O\n0.814044 0.991020 0.377295 O\n0.685956 0.508980 0.877295 O\n0.814044 0.508980 0.377295 O\n0.185956 0.491020 0.622705 O\n0.620941 0.750000 0.883283 O\n0.379059 0.250000 0.116717 O\n0.120941 0.250000 0.616717 O\n0.879059 0.750000 0.383283 O\n0.978973 0.750000 0.800523 O\n0.021027 0.250000 0.199477 O\n0.478973 0.250000 0.699477 O\n0.521027 0.750000 0.300523 O\n0.839804 0.888742 0.593387 O\n0.160196 0.111258 0.406613 O\n0.339804 0.111258 0.906613 O\n0.160196 0.388742 0.406613 O\n0.660196 0.888742 0.093387 O\n0.839804 0.611258 0.593387 O\n0.660196 0.611258 0.093387 O\n0.339804 0.388742 0.906613 O\n0.848528 0.750000 0.693110 O\n0.151472 0.250000 0.306890 O\n0.348528 0.250000 0.806890 O\n0.651472 0.750000 0.193110 O\n0.761212 0.350792 0.944790 O\n0.238788 0.649208 0.055210 O\n0.261212 0.649208 0.555210 O\n0.238788 0.850792 0.055210 O\n0.738788 0.350792 0.444790 O\n0.761212 0.149208 0.944790 O\n0.738788 0.149208 0.444790 O\n0.261212 0.850792 0.555210 O\n","nsites":148,"nelements":5,"elements":["Ba","Na","Mn","Si","O"],"chemical_system":"Ba-Mn-Na-O-Si","density":3.7758468376972614,"density_atomic":0.0706275654089688,"volume":2095.499103544151,"volume_molar":8.52661524594371,"formula_full":"Ba12 Na4 Mn16 Si24 O92","formula_reduced":"Ba3NaMn4Si6O23","formula_anonymous":"AB3C4D6E23","energy":-1159.74119057,"energy_per_atom":-7.836089125472974,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1069.84919057,"band_gap":0.1162999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":68.0000028,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.466000Z","spacegroup":62},{"id":"mp-1201138","created_at":"2022-09-04T14:39:12.723561Z","structure_string":"Na4 Mg2 S4 O24\n1.0\n-0.590614 0.000000 -4.955938\n0.000000 -8.573989 0.000000\n-12.193746 0.000000 0.421704\nNa Mg S O\n4 2 4 24\ndirect\n0.663567 0.609053 0.117149 Na\n0.336433 0.109053 0.382851 Na\n0.336433 0.390947 0.882851 Na\n0.663567 0.890947 0.617149 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.536307 0.711015 0.408466 S\n0.463693 0.211015 0.091534 S\n0.463693 0.288985 0.591534 S\n0.536307 0.788985 0.908466 S\n0.646687 0.641351 0.304314 O\n0.353313 0.141351 0.195686 O\n0.353313 0.358649 0.695686 O\n0.646687 0.858649 0.804314 O\n0.690998 0.652883 0.502425 O\n0.309002 0.152883 0.997575 O\n0.309002 0.347117 0.497575 O\n0.690998 0.847117 0.002425 O\n0.557869 0.883248 0.409192 O\n0.442131 0.383248 0.090808 O\n0.442131 0.116752 0.590808 O\n0.557869 0.616752 0.909192 O\n0.247295 0.666278 0.432449 O\n0.752705 0.166278 0.067551 O\n0.752705 0.333722 0.567551 O\n0.247295 0.833722 0.932449 O\n0.902815 0.355094 0.243432 O\n0.097185 0.855094 0.256568 O\n0.097185 0.644906 0.756568 O\n0.902815 0.144906 0.743432 O\n0.096990 0.810231 0.160487 O\n0.903010 0.310231 0.339513 O\n0.903010 0.189769 0.839513 O\n0.096990 0.689769 0.660487 O\n","nsites":34,"nelements":4,"elements":["Na","Mg","S","O"],"chemical_system":"Mg-Na-O-S","density":2.0835639689010947,"density_atomic":0.06535017397860302,"volume":520.2740548346864,"volume_molar":9.215187035266,"formula_full":"Na4 Mg2 S4 O24","formula_reduced":"Na2Mg(SO6)2","formula_anonymous":"AB2C2D12","energy":-193.51368626,"energy_per_atom":-5.691579007647058,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-189.64968626,"band_gap":1.01,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9992236,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.469000Z","spacegroup":14},{"id":"mp-1282794","created_at":"2022-09-04T14:39:33.132144Z","structure_string":"Ca2 Fe3 O8\n1.0\n4.853643 0.017656 -1.482974\n-0.891013 5.296023 -2.852273\n0.016837 -0.075597 6.334171\nCa Fe O\n2 3 8\ndirect\n0.659938 0.722051 0.444129 Ca\n0.340072 0.277948 0.555872 Ca\n0.500043 0.000017 0.000031 Fe\n0.999964 0.738532 0.000006 Fe\n0.999982 0.261436 0.999922 Fe\n0.019961 0.387495 0.774961 O\n0.980026 0.612488 0.224998 O\n0.097072 0.901732 0.803466 O\n0.902948 0.098278 0.196558 O\n0.403024 0.318530 0.205625 O\n0.403009 0.887068 0.205639 O\n0.596991 0.112915 0.794393 O\n0.596969 0.681508 0.794398 O\n","nsites":13,"nelements":3,"elements":["Ca","Fe","O"],"chemical_system":"Ca-Fe-O","density":3.8531459915632142,"density_atomic":0.08029425568321386,"volume":161.90448356964782,"volume_molar":7.500089151780973,"formula_full":"Ca2 Fe3 O8","formula_reduced":"Ca2Fe3O8","formula_anonymous":"A2B3C8","energy":-95.0841411,"energy_per_atom":-7.3141647,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.8201411,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9997034,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.471000Z","spacegroup":12},{"id":"mp-1184699","created_at":"2022-09-04T14:39:25.813799Z","structure_string":"Ho2 Cu1 Ir1\n1.0\n0.000000 3.429946 3.429946\n3.429946 0.000000 3.429946\n3.429946 3.429946 0.000000\nHo Cu Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750000 Ho\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Ir\n","nsites":4,"nelements":3,"elements":["Ho","Cu","Ir"],"chemical_system":"Cu-Ho-Ir","density":12.049689426277398,"density_atomic":0.04956420534143944,"volume":80.70340223241098,"volume_molar":12.15018120136193,"formula_full":"Ho2 Cu1 Ir1","formula_reduced":"Ho2CuIr","formula_anonymous":"ABC2","energy":-24.59342895,"energy_per_atom":-6.1483572375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.59342895,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020124,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.472000Z","spacegroup":225}]}