{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=10226","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=10224","results":[{"id":"mp-1234516","created_at":"2022-09-04T14:40:13.135166Z","structure_string":"Mg1 Ag6 Mo10 O33\n1.0\n7.596105 0.283366 -1.777458\n1.919052 -8.022458 -1.101187\n0.103900 -0.004056 -11.531701\nMg Ag Mo O\n1 6 10 33\ndirect\n0.738692 0.412502 0.291128 Mg\n0.353350 0.997822 0.250575 Ag\n0.647363 0.955418 0.765078 Ag\n0.254755 0.353012 0.237807 Ag\n0.891233 0.487162 0.791306 Ag\n0.402965 0.630773 0.250181 Ag\n0.533273 0.438439 0.767948 Ag\n0.450975 0.242012 0.494638 Mo\n0.551371 0.783589 0.508345 Mo\n0.945962 0.238778 0.495662 Mo\n0.047805 0.785590 0.512588 Mo\n0.827365 0.774381 0.051923 Mo\n0.157348 0.203005 0.959275 Mo\n0.727085 0.175482 0.011186 Mo\n0.252931 0.801618 0.976028 Mo\n0.819749 0.008003 0.319435 Mo\n0.188821 0.014413 0.674486 Mo\n0.980342 0.986520 0.996947 O\n0.073641 0.664661 0.021420 O\n0.907788 0.318832 0.968910 O\n0.645768 0.973875 0.089736 O\n0.333030 0.008553 0.910253 O\n0.541036 0.317040 0.077622 O\n0.435479 0.656120 0.913251 O\n0.733588 0.613050 0.150270 O\n0.273181 0.357039 0.887834 O\n0.180016 0.191308 0.108853 O\n0.780901 0.758057 0.912252 O\n0.291013 0.815002 0.120635 O\n0.687279 0.171995 0.866361 O\n0.801726 0.180705 0.206690 O\n0.194513 0.842258 0.782642 O\n0.885300 0.840841 0.229585 O\n0.113791 0.179461 0.767244 O\n0.475902 0.371346 0.340385 O\n0.577086 0.680543 0.647557 O\n0.970385 0.373095 0.347999 O\n0.003057 0.657472 0.644258 O\n0.035487 0.006056 0.374689 O\n0.976232 0.007119 0.615791 O\n0.559304 0.994937 0.378296 O\n0.447155 0.017672 0.619446 O\n0.145446 0.650607 0.401956 O\n0.839594 0.360212 0.614460 O\n0.611556 0.628454 0.408235 O\n0.415111 0.376915 0.603439 O\n0.724614 0.196273 0.447578 O\n0.289150 0.829175 0.527437 O\n0.799551 0.840932 0.485061 O\n0.205935 0.191254 0.508656 O\n","nsites":50,"nelements":4,"elements":["Mg","Ag","Mo","O"],"chemical_system":"Ag-Mg-Mo-O","density":5.067236480307367,"density_atomic":0.07067416395902336,"volume":707.47211143509,"volume_molar":8.520993277673037,"formula_full":"Mg1 Ag6 Mo10 O33","formula_reduced":"MgAg6Mo10O33","formula_anonymous":"AB6C10D33","energy":-373.82182389,"energy_per_atom":-7.4764364778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-319.13082389,"band_gap":1.1127000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.991000Z","spacegroup":1},{"id":"mp-1176424","created_at":"2022-09-04T14:47:28.035681Z","structure_string":"Na28 Fe4 O18\n1.0\n-3.341470 5.832364 -0.014840\n0.057242 0.009066 9.425378\n10.002366 5.819720 0.067103\nNa Fe O\n28 4 18\ndirect\n0.499539 0.251965 0.499831 Na\n0.999555 0.251996 0.999898 Na\n0.500189 0.748083 0.499820 Na\n0.000222 0.748090 0.999886 Na\n0.660144 0.908272 0.020159 Na\n0.160161 0.908274 0.520145 Na\n0.199624 0.907552 0.161286 Na\n0.699630 0.907539 0.661260 Na\n0.642806 0.907852 0.319834 Na\n0.142550 0.907937 0.819846 Na\n0.860509 0.091339 0.180686 Na\n0.360688 0.091275 0.680660 Na\n0.301963 0.092283 0.338865 Na\n0.801865 0.092231 0.838961 Na\n0.841442 0.092628 0.480795 Na\n0.341360 0.092591 0.980739 Na\n0.777231 0.590416 0.154618 Na\n0.277241 0.590490 0.654647 Na\n0.344024 0.592693 0.030770 Na\n0.844095 0.592751 0.530728 Na\n0.120853 0.408444 0.188010 Na\n0.620582 0.408496 0.688034 Na\n0.376295 0.592569 0.311998 Na\n0.876639 0.592473 0.811992 Na\n0.155135 0.407342 0.469078 Na\n0.654962 0.407214 0.969234 Na\n0.720740 0.408532 0.344301 Na\n0.220634 0.408414 0.844229 Na\n0.997876 0.259533 0.667847 Fe\n0.501331 0.740438 0.831582 Fe\n0.498356 0.259412 0.168140 Fe\n0.000619 0.740297 0.331641 Fe\n0.001298 0.000008 0.000002 O\n0.501314 0.000033 0.500222 O\n0.502742 0.041154 0.165176 O\n0.003185 0.041072 0.665514 O\n0.001246 0.958912 0.335766 O\n0.500734 0.958856 0.835675 O\n0.793541 0.334572 0.153335 O\n0.293970 0.334340 0.653239 O\n0.329090 0.336692 0.028092 O\n0.829395 0.337003 0.528481 O\n0.121794 0.660962 0.180005 O\n0.622070 0.660797 0.680295 O\n0.374924 0.339563 0.319161 O\n0.874439 0.339435 0.819035 O\n0.169369 0.665034 0.472760 O\n0.669398 0.664871 0.972406 O\n0.706682 0.663497 0.345583 O\n0.206149 0.663779 0.845532 O\n","nsites":50,"nelements":3,"elements":["Na","Fe","O"],"chemical_system":"Fe-Na-O","density":2.6163180394272483,"density_atomic":0.06820219438992511,"volume":733.1142413708912,"volume_molar":8.829834309392245,"formula_full":"Na28 Fe4 O18","formula_reduced":"Na14Fe2O9","formula_anonymous":"A2B9C14","energy":-233.62935750999995,"energy_per_atom":-4.672587150199999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-212.23935751,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0003805,"is_theoretical":true,"updated_at":"2021-11-28T01:38:09.297000Z","spacegroup":147},{"id":"mp-1222178","created_at":"2022-09-04T14:47:39.718935Z","structure_string":"Mn2 Fe8 Bi10 O30\n1.0\n5.745434 0.000000 0.000000\n-2.708087 9.406151 0.000000\n-2.567802 -2.514122 11.992822\nMn Fe Bi O\n2 8 10 30\ndirect\n0.612815 0.943296 0.167162 Mn\n0.112032 0.444286 0.667763 Mn\n0.205478 0.343695 0.964049 Fe\n0.808842 0.744568 0.765570 Fe\n0.403517 0.144345 0.565197 Fe\n0.005736 0.543879 0.365384 Fe\n0.502527 0.042858 0.865300 Fe\n0.705224 0.843637 0.465089 Fe\n0.311203 0.246390 0.266419 Fe\n0.902191 0.643974 0.065025 Fe\n0.293495 0.699933 0.901059 Bi\n0.887345 0.099805 0.697995 Bi\n0.496847 0.501588 0.498509 Bi\n0.098034 0.904330 0.300224 Bi\n0.691556 0.299067 0.098010 Bi\n0.993742 0.000819 0.998300 Bi\n0.599378 0.401017 0.796281 Bi\n0.193118 0.799930 0.598348 Bi\n0.796484 0.201094 0.399477 Bi\n0.385007 0.598930 0.195163 Bi\n0.100512 0.968233 0.493220 O\n0.705516 0.368193 0.296671 O\n0.280598 0.758112 0.091420 O\n0.902721 0.167299 0.896952 O\n0.520150 0.569659 0.694994 O\n0.026971 0.638887 0.235901 O\n0.631259 0.040027 0.037837 O\n0.218409 0.438801 0.831774 O\n0.835495 0.840442 0.636120 O\n0.437962 0.239604 0.436515 O\n0.460419 0.068886 0.245513 O\n0.047805 0.464659 0.046698 O\n0.658227 0.870900 0.849141 O\n0.244305 0.271267 0.646021 O\n0.852572 0.669648 0.447339 O\n0.673056 0.850467 0.303513 O\n0.275968 0.247950 0.105347 O\n0.875898 0.647222 0.904258 O\n0.466688 0.043388 0.704166 O\n0.074486 0.450216 0.508340 O\n0.830149 0.829345 0.113896 O\n0.440328 0.228966 0.914536 O\n0.048213 0.629727 0.714081 O\n0.640860 0.027438 0.514711 O\n0.241793 0.430047 0.316295 O\n0.990792 0.103572 0.261581 O\n0.567051 0.498772 0.053116 O\n0.173197 0.897599 0.857596 O\n0.749199 0.290256 0.658737 O\n0.373230 0.698578 0.456584 O\n","nsites":50,"nelements":4,"elements":["Mn","Fe","Bi","O"],"chemical_system":"Bi-Fe-Mn-O","density":8.010147877354406,"density_atomic":0.0771460740966578,"volume":648.1211206853383,"volume_molar":7.8061532365921105,"formula_full":"Mn2 Fe8 Bi10 O30","formula_reduced":"MnFe4(BiO3)5","formula_anonymous":"AB4C5D15","energy":-356.83223228,"energy_per_atom":-7.136644645600001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-314.83823228,"band_gap":1.0898000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":48.0033043,"is_theoretical":true,"updated_at":"2021-11-28T01:38:15.751000Z","spacegroup":1},{"id":"mp-1195556","created_at":"2022-09-04T14:47:39.868713Z","structure_string":"K10 Y4 Si8 O26 F2\n1.0\n5.837727 0.000000 0.000000\n0.000000 7.253171 0.000000\n0.000000 0.684051 18.306666\nK Y Si O F\n10 4 8 26 2\ndirect\n0.250000 0.524065 0.249536 K\n0.750000 0.475935 0.750464 K\n0.250000 0.131944 0.694084 K\n0.750000 0.868056 0.305916 K\n0.250000 0.795050 0.814496 K\n0.750000 0.204950 0.185504 K\n0.250000 0.803323 0.003633 K\n0.750000 0.196677 0.996367 K\n0.250000 0.259442 0.490226 K\n0.750000 0.740558 0.509774 K\n0.250000 0.333553 0.890258 Y\n0.750000 0.666447 0.109742 Y\n0.250000 0.597151 0.628881 Y\n0.750000 0.402849 0.371119 Y\n0.250000 0.336059 0.083307 Si\n0.750000 0.663941 0.916693 Si\n0.250000 0.958618 0.172976 Si\n0.750000 0.041382 0.827024 Si\n0.250000 0.082979 0.331739 Si\n0.750000 0.917021 0.668261 Si\n0.250000 0.710598 0.423356 Si\n0.750000 0.289402 0.576644 Si\n0.015670 0.453385 0.094490 O\n0.515670 0.546615 0.905510 O\n0.984330 0.546615 0.905510 O\n0.484330 0.453385 0.094490 O\n0.250000 0.226528 0.006433 O\n0.750000 0.773472 0.993567 O\n0.250000 0.183854 0.155513 O\n0.750000 0.816146 0.844487 O\n0.014629 0.868729 0.144610 O\n0.514629 0.131271 0.855390 O\n0.985371 0.131271 0.855390 O\n0.485371 0.868729 0.144610 O\n0.250000 0.936112 0.264203 O\n0.750000 0.063888 0.735797 O\n0.016863 0.205635 0.329830 O\n0.516863 0.794365 0.670170 O\n0.983137 0.794365 0.670170 O\n0.483137 0.205635 0.329830 O\n0.250000 0.941670 0.405906 O\n0.750000 0.058330 0.594094 O\n0.017113 0.623574 0.388584 O\n0.517113 0.376426 0.611416 O\n0.982887 0.376426 0.611416 O\n0.482887 0.623574 0.388584 O\n0.250000 0.685666 0.512973 O\n0.750000 0.314334 0.487027 O\n0.250000 0.461808 0.756756 F\n0.750000 0.538192 0.243244 F\n","nsites":50,"nelements":5,"elements":["K","Y","Si","O","F"],"chemical_system":"F-K-O-Si-Y","density":3.0532739678128737,"density_atomic":0.06450435670226469,"volume":775.1414409229284,"volume_molar":9.336021732294197,"formula_full":"K10 Y4 Si8 O26 F2","formula_reduced":"K5Y2Si4O13F","formula_anonymous":"AB2C4D5E13","energy":-371.50014536,"energy_per_atom":-7.4300029072,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-352.71414536,"band_gap":4.347499999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0100249,"is_theoretical":false,"updated_at":"2021-11-28T01:38:19.237000Z","spacegroup":11},{"id":"mp-1351862","created_at":"2022-09-04T14:47:44.235164Z","structure_string":"Fe8 Co2 Bi10 O30\n1.0\n-5.608182 0.000000 0.000000\n2.796566 4.930574 0.000000\n-0.099501 -3.104626 -22.976913\nFe Co Bi O\n8 2 10 30\ndirect\n0.814383 0.083038 0.543173 Fe\n0.210001 0.675023 0.744219 Fe\n0.613913 0.279876 0.945417 Fe\n0.113102 0.780810 0.442110 Fe\n0.512328 0.380312 0.643407 Fe\n0.911171 0.977706 0.845079 Fe\n0.310144 0.575714 0.045931 Fe\n0.709519 0.176507 0.245668 Fe\n0.006459 0.866141 0.145275 Co\n0.399530 0.459006 0.342011 Co\n0.092287 0.889050 0.299364 Bi\n0.500931 0.503616 0.496152 Bi\n0.896584 0.095285 0.699159 Bi\n0.300329 0.699119 0.900892 Bi\n0.695636 0.293536 0.101510 Bi\n0.000428 0.995790 0.002306 Bi\n0.399330 0.598530 0.201317 Bi\n0.798459 0.202555 0.396942 Bi\n0.201085 0.799281 0.598728 Bi\n0.597843 0.396662 0.799647 Bi\n0.610470 0.784931 0.289873 O\n0.013179 0.396664 0.485133 O\n0.414648 0.986837 0.686576 O\n0.816674 0.591669 0.888477 O\n0.213685 0.191992 0.089174 O\n0.315803 0.954662 0.208834 O\n0.699605 0.553600 0.404400 O\n0.104143 0.152325 0.607516 O\n0.500001 0.747832 0.808995 O\n0.904722 0.350598 0.009771 O\n0.195703 0.607785 0.375077 O\n0.591023 0.212163 0.576345 O\n0.989406 0.805803 0.777695 O\n0.393925 0.410736 0.979556 O\n0.799026 0.010337 0.180084 O\n0.098667 0.315739 0.279441 O\n0.494388 0.911460 0.475995 O\n0.897320 0.507501 0.677124 O\n0.295620 0.109719 0.878889 O\n0.689639 0.707870 0.079480 O\n0.553370 0.262059 0.307684 O\n0.954860 0.853578 0.505780 O\n0.355939 0.447125 0.708662 O\n0.754915 0.050333 0.909622 O\n0.153157 0.657586 0.108693 O\n0.173417 0.100715 0.385589 O\n0.563473 0.694777 0.586718 O\n0.960450 0.287372 0.787155 O\n0.363874 0.891393 0.989351 O\n0.771837 0.494882 0.189201 O\n","nsites":50,"nelements":4,"elements":["Fe","Co","Bi","O"],"chemical_system":"Bi-Co-Fe-O","density":8.192075997771806,"density_atomic":0.07869710276420899,"volume":635.3474047171622,"volume_molar":7.652303005414878,"formula_full":"Fe8 Co2 Bi10 O30","formula_reduced":"Fe4Co(BiO3)5","formula_anonymous":"AB4C5D15","energy":-308.59579253000004,"energy_per_atom":-6.1719158506000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-266.66179253,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0485673,"is_theoretical":true,"updated_at":"2021-11-28T01:38:17.625000Z","spacegroup":1},{"id":"mp-1199320","created_at":"2022-09-04T14:48:09.420965Z","structure_string":"Na8 Cr4 P8 O30\n1.0\n9.877316 0.000000 0.000000\n0.000000 7.865719 0.000000\n0.000000 6.116156 8.568521\nNa Cr P O\n8 4 8 30\ndirect\n0.341405 0.855846 0.680291 Na\n0.158595 0.855846 0.180291 Na\n0.658595 0.144154 0.319709 Na\n0.841405 0.144154 0.819709 Na\n0.535491 0.845943 0.213489 Na\n0.964509 0.845943 0.713489 Na\n0.464509 0.154057 0.786511 Na\n0.035491 0.154057 0.286511 Na\n0.243950 0.369681 0.947471 Cr\n0.256050 0.369681 0.447471 Cr\n0.756050 0.630319 0.052529 Cr\n0.743950 0.630319 0.552529 Cr\n0.353576 0.128765 0.300038 P\n0.146424 0.128765 0.800038 P\n0.646424 0.871235 0.699962 P\n0.853576 0.871235 0.199962 P\n0.376128 0.581023 0.102611 P\n0.123872 0.581023 0.602611 P\n0.623872 0.418977 0.897389 P\n0.876128 0.418977 0.397389 P\n0.254217 0.144346 0.179772 O\n0.245783 0.144346 0.679772 O\n0.745783 0.855654 0.820228 O\n0.754217 0.855654 0.320228 O\n0.441404 0.345547 0.209634 O\n0.058596 0.345547 0.709634 O\n0.558596 0.654453 0.790366 O\n0.941404 0.654453 0.290366 O\n0.229664 0.127161 0.925162 O\n0.270336 0.127161 0.425162 O\n0.770336 0.872839 0.074838 O\n0.729664 0.872839 0.574838 O\n0.457460 0.958894 0.362008 O\n0.042540 0.958894 0.862008 O\n0.542540 0.041106 0.637992 O\n0.957460 0.041106 0.137992 O\n0.228123 0.581582 0.712403 O\n0.271877 0.581582 0.212403 O\n0.771877 0.418418 0.287597 O\n0.728123 0.418418 0.787597 O\n0.306543 0.601169 0.963525 O\n0.193457 0.601169 0.463525 O\n0.693457 0.398831 0.036475 O\n0.806543 0.398831 0.536475 O\n0.492525 0.731338 0.056033 O\n0.007475 0.731338 0.556033 O\n0.507475 0.268662 0.943967 O\n0.992525 0.268662 0.443967 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n","nsites":50,"nelements":4,"elements":["Na","Cr","P","O"],"chemical_system":"Cr-Na-O-P","density":2.792914895635486,"density_atomic":0.0751080978497853,"volume":665.7071798036878,"volume_molar":8.017964683440876,"formula_full":"Na8 Cr4 P8 O30","formula_reduced":"Na4Cr2P4O15","formula_anonymous":"A2B4C4D15","energy":-363.19591856,"energy_per_atom":-7.2639183712,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-334.58991856,"band_gap":0.5630999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":12.0078557,"is_theoretical":false,"updated_at":"2021-11-28T01:38:38.193000Z","spacegroup":14},{"id":"mp-560175","created_at":"2022-09-04T14:47:59.841843Z","structure_string":"Na8 Th2 Mo8 O32\n1.0\n-5.780337 5.780337 6.069915\n5.780337 -5.780337 6.069915\n5.780337 5.780337 -6.069915\nNa Th Mo O\n8 2 8 32\ndirect\n0.245704 0.086554 0.395966 Na\n0.599738 0.495704 0.659150 Na\n0.059412 0.400262 0.895966 Na\n0.836554 0.940588 0.340850 Na\n0.504296 0.163446 0.104034 Na\n0.150262 0.754296 0.840850 Na\n0.690588 0.849738 0.604034 Na\n0.913446 0.309412 0.159150 Na\n0.250000 0.750000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n0.814434 0.584596 0.412214 Mo\n0.577618 0.847780 0.912214 Mo\n0.172382 0.402220 0.587786 Mo\n0.597780 0.185566 0.770161 Mo\n0.935566 0.665404 0.087786 Mo\n0.415404 0.827618 0.229839 Mo\n0.334595 0.422382 0.270161 Mo\n0.152220 0.064434 0.729839 Mo\n0.215920 0.018542 0.885157 O\n0.069088 0.190948 0.464791 O\n0.598521 0.771133 0.052124 O\n0.009686 0.598345 0.232256 O\n0.348345 0.616088 0.088659 O\n0.521133 0.969009 0.672612 O\n0.768542 0.383384 0.302622 O\n0.133384 0.330763 0.114843 O\n0.023843 0.645703 0.964791 O\n0.151479 0.478867 0.447876 O\n0.228867 0.280991 0.827388 O\n0.719009 0.546397 0.947876 O\n0.030991 0.703603 0.552124 O\n0.453603 0.401479 0.172612 O\n0.981458 0.866616 0.197378 O\n0.669237 0.784080 0.802622 O\n0.527429 0.259686 0.911341 O\n0.680912 0.059052 0.035209 O\n0.809052 0.273843 0.878140 O\n0.534080 0.231458 0.614843 O\n0.726157 0.604297 0.535209 O\n0.080763 0.465920 0.697378 O\n0.401655 0.633912 0.411341 O\n0.940948 0.976157 0.621860 O\n0.222571 0.990314 0.588659 O\n0.296397 0.848521 0.327388 O\n0.354297 0.319088 0.378140 O\n0.395703 0.930912 0.121860 O\n0.366088 0.777429 0.767744 O\n0.383912 0.472571 0.732256 O\n0.740314 0.651655 0.267744 O\n0.616616 0.919237 0.385157 O\n","nsites":50,"nelements":4,"elements":["Na","Th","Mo","O"],"chemical_system":"Mo-Na-O-Th","density":3.9454219419799146,"density_atomic":0.06163410381158793,"volume":811.2391826584719,"volume_molar":9.770793095993339,"formula_full":"Na8 Th2 Mo8 O32","formula_reduced":"Na4Th(MoO4)4","formula_anonymous":"AB4C4D16","energy":-390.3293461,"energy_per_atom":-7.806586922,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-342.7293461,"band_gap":3.8529,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003142,"is_theoretical":false,"updated_at":"2021-11-28T01:38:28.997000Z","spacegroup":88},{"id":"mp-1228424","created_at":"2022-09-04T14:48:00.362418Z","structure_string":"Ba8 Ca2 Zr10 O30\n1.0\n-2.980971 2.980971 21.247166\n2.980971 -2.980971 21.247166\n2.980971 2.980971 -21.247166\nBa Ca Zr O\n8 2 10 30\ndirect\n0.101449 0.101449 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.898551 0.898551 0.000000 Ba\n0.298531 0.298531 0.000000 Ba\n0.701469 0.701469 0.000000 Ba\n0.600060 0.600060 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.399940 0.399940 0.000000 Ba\n0.800819 0.800819 0.000000 Ca\n0.199181 0.199181 0.000000 Ca\n0.050407 0.550407 0.500000 Zr\n0.449593 0.949593 0.500000 Zr\n0.848522 0.348522 0.500000 Zr\n0.250000 0.750000 0.500000 Zr\n0.651478 0.151478 0.500000 Zr\n0.151478 0.651478 0.500000 Zr\n0.550407 0.050407 0.500000 Zr\n0.949593 0.449593 0.500000 Zr\n0.348522 0.848522 0.500000 Zr\n0.750000 0.250000 0.500000 Zr\n0.322824 0.778098 0.000000 O\n0.721621 0.177834 0.000000 O\n0.132194 0.567326 0.000000 O\n0.553595 0.954818 0.000000 O\n0.943537 0.365091 0.000000 O\n0.778098 0.322824 0.000000 O\n0.177834 0.721621 0.000000 O\n0.567326 0.132194 0.000000 O\n0.954818 0.553595 0.000000 O\n0.365091 0.943537 0.000000 O\n0.867806 0.867806 0.435133 O\n0.278379 0.278379 0.456214 O\n0.677176 0.677176 0.455274 O\n0.056463 0.056463 0.421554 O\n0.446405 0.446405 0.401223 O\n0.432674 0.432674 0.564867 O\n0.822166 0.822166 0.543786 O\n0.221902 0.221902 0.544726 O\n0.634909 0.634909 0.578446 O\n0.045182 0.045182 0.598777 O\n0.600959 0.100959 0.500000 O\n0.000000 0.500000 0.500000 O\n0.399041 0.899041 0.500000 O\n0.799218 0.299218 0.500000 O\n0.200782 0.700782 0.500000 O\n0.100959 0.600959 0.500000 O\n0.500000 0.000000 0.500000 O\n0.899041 0.399041 0.500000 O\n0.299218 0.799218 0.500000 O\n0.700782 0.200782 0.500000 O\n","nsites":50,"nelements":4,"elements":["Ba","Ca","Zr","O"],"chemical_system":"Ba-Ca-O-Zr","density":5.652930631252725,"density_atomic":0.06620541311975839,"volume":755.225254913151,"volume_molar":9.096145581187754,"formula_full":"Ba8 Ca2 Zr10 O30","formula_reduced":"Ba4CaZr5O15","formula_anonymous":"AB4C5D15","energy":-434.16043659,"energy_per_atom":-8.6832087318,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-413.55043659,"band_gap":3.1377,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0259906,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.817000Z","spacegroup":121},{"id":"mp-769459","created_at":"2022-09-04T14:48:01.264981Z","structure_string":"Na10 Ni4 P4 C4 O28\n1.0\n8.380077 0.000000 0.000000\n-1.889188 8.178520 0.000000\n-0.202511 -0.188585 8.954241\nNa Ni P C O\n10 4 4 4 28\ndirect\n0.743039 0.481689 0.076466 Na\n0.886346 0.876204 0.264985 Na\n0.374306 0.360125 0.268123 Na\n0.607009 0.119661 0.269069 Na\n0.127959 0.640987 0.264219 Na\n0.381032 0.876042 0.737223 Na\n0.622064 0.626056 0.730645 Na\n0.112481 0.137477 0.730696 Na\n0.250277 0.513030 0.915482 Na\n0.767279 0.027217 0.915964 Na\n0.985464 0.237899 0.349966 Ni\n0.488553 0.734512 0.344187 Ni\n0.011780 0.758933 0.654943 Ni\n0.518804 0.264778 0.654833 Ni\n0.768119 0.515149 0.422723 P\n0.266011 0.017425 0.423451 P\n0.730197 0.979588 0.581353 P\n0.233633 0.483725 0.577303 P\n0.519427 0.768268 0.063497 C\n0.021531 0.267304 0.071541 C\n0.979305 0.729412 0.931429 C\n0.479844 0.234780 0.932667 C\n0.968451 0.718984 0.073761 O\n0.476558 0.227276 0.075034 O\n0.406483 0.654726 0.121645 O\n0.906315 0.159095 0.135326 O\n0.618507 0.867396 0.156307 O\n0.118955 0.372247 0.160625 O\n0.325347 0.888407 0.326615 O\n0.829050 0.389446 0.321109 O\n0.643958 0.575645 0.316750 O\n0.136968 0.078020 0.325514 O\n0.801129 0.054554 0.434201 O\n0.307914 0.554246 0.429514 O\n0.915051 0.664090 0.459284 O\n0.414747 0.164919 0.458334 O\n0.587362 0.827791 0.543864 O\n0.089871 0.335070 0.539777 O\n0.192613 0.946049 0.571259 O\n0.691030 0.442542 0.566121 O\n0.862062 0.924492 0.681750 O\n0.178007 0.614848 0.675593 O\n0.662706 0.099347 0.682594 O\n0.360685 0.425851 0.680937 O\n0.877511 0.632055 0.841507 O\n0.380744 0.136071 0.841559 O\n0.590911 0.347556 0.870380 O\n0.093611 0.836478 0.868044 O\n0.534715 0.780073 0.921258 O\n0.032323 0.270353 0.930249 O\n","nsites":50,"nelements":5,"elements":["Na","Ni","P","C","O"],"chemical_system":"C-Na-Ni-O-P","density":2.934702772775357,"density_atomic":0.08147389819979345,"volume":613.6934785836326,"volume_molar":7.391497023049362,"formula_full":"Na10 Ni4 P4 C4 O28","formula_reduced":"Na5Ni2P2(CO7)2","formula_anonymous":"A2B2C2D5E14","energy":-341.08756115999995,"energy_per_atom":-6.821751223199999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-311.68756116,"band_gap":3.2425,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0000009,"is_theoretical":true,"updated_at":"2021-11-28T01:38:24.213000Z","spacegroup":1},{"id":"mp-1218905","created_at":"2022-09-04T14:47:59.159845Z","structure_string":"Sr10 Mg5 Mo4 W1 O30\n1.0\n5.645435 0.000000 0.000000\n2.821409 4.904511 0.000000\n2.821585 1.448103 23.164005\nSr Mg Mo W O\n10 5 4 1 30\ndirect\n0.849743 0.849661 0.949492 Sr\n0.449377 0.449535 0.150757 Sr\n0.049639 0.049596 0.350123 Sr\n0.649628 0.649634 0.550122 Sr\n0.249644 0.249606 0.750085 Sr\n0.550623 0.550465 0.849243 Sr\n0.150257 0.150339 0.050508 Sr\n0.750356 0.750394 0.249915 Sr\n0.350372 0.350366 0.449878 Sr\n0.950361 0.950404 0.649877 Sr\n0.200015 0.199938 0.900254 Mg\n0.799985 0.800062 0.099746 Mg\n0.399991 0.399969 0.300073 Mg\n0.000000 0.000000 0.500000 Mg\n0.600009 0.600031 0.699927 Mg\n0.899996 0.900009 0.799957 Mo\n0.100004 0.099991 0.200043 Mo\n0.700019 0.700003 0.399980 Mo\n0.299981 0.299997 0.600020 Mo\n0.500000 0.500000 0.000000 W\n0.539151 0.032872 0.840757 O\n0.137921 0.633258 0.040830 O\n0.739088 0.232883 0.240899 O\n0.339029 0.832912 0.440830 O\n0.939091 0.432894 0.640778 O\n0.862079 0.366742 0.959170 O\n0.460849 0.967128 0.159243 O\n0.060909 0.567106 0.359222 O\n0.660971 0.167088 0.559170 O\n0.260912 0.767117 0.759101 O\n0.370206 0.845564 0.953571 O\n0.970379 0.444643 0.153746 O\n0.570338 0.044665 0.353710 O\n0.170318 0.644786 0.553672 O\n0.770284 0.244812 0.753631 O\n0.029621 0.555357 0.846254 O\n0.629794 0.154436 0.046429 O\n0.229716 0.755188 0.246369 O\n0.829682 0.355214 0.446328 O\n0.429662 0.955335 0.646290 O\n0.008388 0.045750 0.857085 O\n0.608023 0.645854 0.057533 O\n0.208296 0.245701 0.257249 O\n0.808239 0.845692 0.457230 O\n0.408237 0.445630 0.657194 O\n0.391977 0.354146 0.942467 O\n0.991612 0.954250 0.142915 O\n0.591763 0.554370 0.342806 O\n0.191761 0.154308 0.542770 O\n0.791704 0.754299 0.742751 O\n","nsites":50,"nelements":5,"elements":["Sr","Mg","Mo","W","O"],"chemical_system":"Mg-Mo-O-Sr-W","density":5.295425078072009,"density_atomic":0.07795845615158033,"volume":641.36724183944,"volume_molar":7.724807618420138,"formula_full":"Sr10 Mg5 Mo4 W1 O30","formula_reduced":"Sr10Mg5Mo4WO30","formula_anonymous":"AB4C5D10E30","energy":-374.163685,"energy_per_atom":-7.4832737,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-336.307685,"band_gap":2.3795,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.67e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:30.870000Z","spacegroup":2},{"id":"mp-1204881","created_at":"2022-09-04T14:48:01.931118Z","structure_string":"Cs2 Mn2 Ga4 P6 H8 O28\n1.0\n5.245322 6.878177 0.000000\n-5.245322 6.878177 0.000000\n0.000000 2.902167 8.516314\nCs Mn Ga P H O\n2 2 4 6 8 28\ndirect\n0.639763 0.360237 0.750000 Cs\n0.360237 0.639763 0.250000 Cs\n0.720353 0.279647 0.250000 Mn\n0.279647 0.720353 0.750000 Mn\n0.097229 0.246356 0.426369 Ga\n0.753644 0.902771 0.073631 Ga\n0.902771 0.753644 0.573631 Ga\n0.246356 0.097229 0.926369 Ga\n0.420385 0.162526 0.172545 P\n0.837474 0.579615 0.327455 P\n0.579615 0.837474 0.827455 P\n0.162526 0.420385 0.672545 P\n0.003528 0.996472 0.750000 P\n0.996472 0.003528 0.250000 P\n0.461753 0.217448 0.502637 H\n0.782552 0.538247 0.997363 H\n0.538247 0.782552 0.497363 H\n0.217448 0.461753 0.002637 H\n0.610184 0.072982 0.550829 H\n0.927018 0.389816 0.949171 H\n0.389816 0.927018 0.449171 H\n0.072982 0.610184 0.050829 H\n0.223970 0.324003 0.536623 O\n0.675997 0.776030 0.963377 O\n0.776030 0.675997 0.463377 O\n0.324003 0.223970 0.036623 O\n0.298334 0.122363 0.334112 O\n0.877637 0.701666 0.165888 O\n0.701666 0.877637 0.665888 O\n0.122363 0.298334 0.834112 O\n0.007662 0.463237 0.338953 O\n0.536763 0.992338 0.161047 O\n0.992338 0.536763 0.661047 O\n0.463237 0.007662 0.838953 O\n0.973639 0.146292 0.615405 O\n0.853708 0.026361 0.884595 O\n0.026361 0.853708 0.384595 O\n0.146292 0.973639 0.115405 O\n0.974773 0.167779 0.302721 O\n0.832221 0.025227 0.197279 O\n0.025227 0.832221 0.697279 O\n0.167779 0.974773 0.802721 O\n0.705147 0.492049 0.329722 O\n0.507951 0.294853 0.170278 O\n0.294853 0.507951 0.670278 O\n0.492049 0.705147 0.829722 O\n0.581849 0.185442 0.489493 O\n0.814558 0.418151 0.010507 O\n0.418151 0.814558 0.510507 O\n0.185442 0.581849 0.989493 O\n","nsites":50,"nelements":6,"elements":["Cs","Mn","Ga","P","H","O"],"chemical_system":"Cs-Ga-H-Mn-O-P","density":3.503352459058761,"density_atomic":0.08136597662555373,"volume":614.5074645892844,"volume_molar":7.401300899654773,"formula_full":"Cs2 Mn2 Ga4 P6 H8 O28","formula_reduced":"CsMnGa2P3(H2O7)2","formula_anonymous":"ABC2D3E4F14","energy":-344.69280323,"energy_per_atom":-6.8938560645999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-322.12080323,"band_gap":3.3475,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":10.0009177,"is_theoretical":false,"updated_at":"2021-11-28T01:38:18.476000Z","spacegroup":15},{"id":"mp-1223162","created_at":"2022-09-04T14:48:00.050095Z","structure_string":"La2 Fe10 Bi8 O30\n1.0\n5.634259 0.002263 -0.001685\n-2.817854 1.628058 4.687983\n-0.010525 -22.781919 4.677860\nLa Fe Bi O\n2 10 8 30\ndirect\n0.189741 0.379575 0.599601 La\n0.589324 0.177886 0.798490 La\n0.022361 0.044456 0.145786 Fe\n0.422141 0.844169 0.345719 Fe\n0.822075 0.645874 0.546588 Fe\n0.224647 0.449636 0.746789 Fe\n0.625225 0.248375 0.945743 Fe\n0.122735 0.244537 0.445225 Fe\n0.515859 0.031616 0.645245 Fe\n0.915233 0.831585 0.846277 Fe\n0.322037 0.644565 0.045951 Fe\n0.722069 0.444522 0.245798 Fe\n0.111487 0.224512 0.301105 Bi\n0.512903 0.020737 0.501497 Bi\n0.910273 0.819572 0.702312 Bi\n0.308642 0.623415 0.901974 Bi\n0.711740 0.424524 0.101273 Bi\n0.012396 0.024392 0.001085 Bi\n0.412877 0.824810 0.201256 Bi\n0.812379 0.625584 0.401640 Bi\n0.625072 0.099313 0.289165 O\n0.026916 0.903910 0.489843 O\n0.431873 0.713128 0.691758 O\n0.829601 0.506589 0.890708 O\n0.224829 0.298575 0.089098 O\n0.314810 0.179098 0.209606 O\n0.715124 0.978395 0.409311 O\n0.116723 0.796510 0.608803 O\n0.516689 0.597027 0.809511 O\n0.915182 0.378966 0.010022 O\n0.202427 0.007303 0.379368 O\n0.620724 0.827884 0.578856 O\n0.019570 0.627408 0.779149 O\n0.401962 0.407429 0.979664 O\n0.802940 0.207965 0.179503 O\n0.105374 0.608006 0.279375 O\n0.501993 0.409703 0.480391 O\n0.905620 0.212800 0.679653 O\n0.308293 0.010404 0.878803 O\n0.705241 0.807954 0.079474 O\n0.565058 0.578667 0.309783 O\n0.964305 0.376273 0.509872 O\n0.364859 0.182767 0.708940 O\n0.764969 0.984648 0.908856 O\n0.164401 0.778955 0.109652 O\n0.174090 0.499551 0.388902 O\n0.576219 0.301448 0.589006 O\n0.977624 0.101580 0.789139 O\n0.375005 0.900008 0.989226 O\n0.774363 0.699391 0.189208 O\n","nsites":50,"nelements":4,"elements":["La","Fe","Bi","O"],"chemical_system":"Bi-Fe-La-O","density":7.69781433271063,"density_atomic":0.07757025617733526,"volume":644.5769611188827,"volume_molar":7.7634663810219156,"formula_full":"La2 Fe10 Bi8 O30","formula_reduced":"LaFe5Bi4O15","formula_anonymous":"AB4C5D15","energy":-367.59478832,"energy_per_atom":-7.3518957664,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-324.42478832,"band_gap":1.7804000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":50.0004775,"is_theoretical":true,"updated_at":"2021-11-28T01:38:29.608000Z","spacegroup":1}]}