{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=12135","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=12133","results":[{"id":"mp-781596","created_at":"2022-09-04T14:44:04.971082Z","structure_string":"Li8 Fe8 O8 F16\n1.0\n5.297029 0.000000 0.000000\n0.015929 8.955347 0.000000\n1.459438 0.045695 9.756540\nLi Fe O F\n8 8 8 16\ndirect\n0.802811 0.597747 0.802572 Li\n0.191200 0.899718 0.694359 Li\n0.299286 0.409052 0.805221 Li\n0.691252 0.083979 0.696887 Li\n0.317564 0.909312 0.318155 Li\n0.676067 0.594015 0.190194 Li\n0.824502 0.086109 0.316532 Li\n0.177525 0.410692 0.178394 Li\n0.762010 0.269869 0.983755 Fe\n0.757740 0.906751 0.982853 Fe\n0.258721 0.093843 0.980828 Fe\n0.260358 0.733514 0.986163 Fe\n0.259395 0.234028 0.507600 Fe\n0.259637 0.598316 0.511563 Fe\n0.736187 0.429439 0.502766 Fe\n0.733682 0.758543 0.508964 Fe\n0.120346 0.913884 0.900382 O\n0.621627 0.090098 0.903137 O\n0.600247 0.753599 0.899368 O\n0.098287 0.247182 0.898704 O\n0.400133 0.746263 0.610035 O\n0.379718 0.406096 0.599867 O\n0.893615 0.584362 0.599401 O\n0.609592 0.584630 0.391986 O\n0.122734 0.583931 0.875599 F\n0.629114 0.413984 0.865480 F\n0.870470 0.912832 0.625321 F\n0.895929 0.250294 0.599636 F\n0.363550 0.086729 0.630409 F\n0.643539 0.913121 0.377889 F\n0.109407 0.402539 0.384448 F\n0.103586 0.748768 0.389105 F\n0.151657 0.093117 0.377791 F\n0.609954 0.248825 0.393299 F\n0.898296 0.756902 0.110658 F\n0.896233 0.080758 0.118709 F\n0.342958 0.593626 0.128210 F\n0.397449 0.247147 0.109370 F\n0.391979 0.917607 0.117815 F\n0.841641 0.408783 0.126576 F\n","nsites":40,"nelements":4,"elements":["Li","Fe","O","F"],"chemical_system":"F-Fe-Li-O","density":3.352008893427808,"density_atomic":0.08642699095283596,"volume":462.8183806818912,"volume_molar":6.967893586954033,"formula_full":"Li8 Fe8 O8 F16","formula_reduced":"LiFeOF2","formula_anonymous":"ABCD2","energy":-252.53029105,"energy_per_atom":-6.31325727625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-221.59429105,"band_gap":1.7248,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":40.0000002,"is_theoretical":true,"updated_at":"2021-11-28T01:36:30.098000Z","spacegroup":1},{"id":"mp-1018643","created_at":"2022-09-04T14:44:04.981744Z","structure_string":"Y1 B1 Pd3\n1.0\n4.325036 0.000000 0.000000\n0.000000 4.325036 0.000000\n0.000000 0.000000 4.325036\nY B Pd\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n","nsites":5,"nelements":3,"elements":["Y","B","Pd"],"chemical_system":"B-Pd-Y","density":8.599435522796034,"density_atomic":0.0618017572960396,"volume":80.90384834931565,"volume_molar":9.744287255705451,"formula_full":"Y1 B1 Pd3","formula_reduced":"YBPd3","formula_anonymous":"ABC3","energy":-31.80426507,"energy_per_atom":-6.360853014,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.80426507,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.5e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:29.289000Z","spacegroup":221},{"id":"mp-1202449","created_at":"2022-09-04T14:44:04.991984Z","structure_string":"Na8 P8 O32\n1.0\n13.591342 0.000000 0.000000\n0.000000 6.534072 0.000000\n0.000000 0.834945 9.568046\nNa P O\n8 8 32\ndirect\n0.128479 0.481444 0.979853 Na\n0.628479 0.518556 0.520147 Na\n0.871521 0.518556 0.020147 Na\n0.371521 0.481444 0.479853 Na\n0.111630 0.102843 0.511591 Na\n0.611630 0.897157 0.988409 Na\n0.888370 0.897157 0.488409 Na\n0.388370 0.102843 0.011591 Na\n0.496371 0.099915 0.686664 P\n0.996371 0.900085 0.813336 P\n0.503629 0.900085 0.313336 P\n0.003629 0.099915 0.186664 P\n0.335070 0.986755 0.498971 P\n0.835070 0.013245 0.001029 P\n0.664930 0.013245 0.501029 P\n0.164930 0.986755 0.998971 P\n0.213350 0.783240 0.990995 O\n0.713350 0.216760 0.509005 O\n0.786650 0.216760 0.009005 O\n0.286650 0.783240 0.490995 O\n0.273501 0.179015 0.495600 O\n0.773501 0.820985 0.004400 O\n0.726499 0.820985 0.504400 O\n0.226499 0.179015 0.995600 O\n0.402076 0.969274 0.640489 O\n0.902076 0.030726 0.859511 O\n0.597924 0.030726 0.359511 O\n0.097924 0.969274 0.140489 O\n0.495610 0.313969 0.616264 O\n0.995610 0.686031 0.883736 O\n0.504390 0.686031 0.383736 O\n0.004390 0.313969 0.116264 O\n0.001446 0.933668 0.656923 O\n0.501446 0.066332 0.843077 O\n0.998554 0.066332 0.343077 O\n0.498554 0.933668 0.156923 O\n0.085340 0.035495 0.872845 O\n0.585340 0.964505 0.627155 O\n0.914660 0.964505 0.127155 O\n0.414660 0.035495 0.372845 O\n0.391590 0.573532 0.983632 O\n0.891590 0.426468 0.516368 O\n0.608410 0.426468 0.016368 O\n0.108410 0.573532 0.483632 O\n0.111797 0.502435 0.606694 O\n0.611797 0.497565 0.893306 O\n0.888203 0.497565 0.393306 O\n0.388203 0.502435 0.106694 O\n","nsites":48,"nelements":3,"elements":["Na","P","O"],"chemical_system":"Na-O-P","density":1.844202057642684,"density_atomic":0.05649001970902711,"volume":849.7076164469738,"volume_molar":10.660539314766183,"formula_full":"Na8 P8 O32","formula_reduced":"NaPO4","formula_anonymous":"ABC4","energy":-304.55029816,"energy_per_atom":-6.344797878333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-299.39829816,"band_gap":1.8212,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.997747,"is_theoretical":true,"updated_at":"2021-11-28T01:36:31.737000Z","spacegroup":14},{"id":"mp-1209387","created_at":"2022-09-04T14:44:04.821836Z","structure_string":"Rb10 In2 Mo8 O32\n1.0\n8.166384 0.000000 0.000000\n0.000000 11.357633 0.000000\n0.000000 4.695999 10.666847\nRb In Mo O\n10 2 8 32\ndirect\n0.349185 0.844371 0.102942 Rb\n0.650815 0.155629 0.897058 Rb\n0.349185 0.655629 0.897058 Rb\n0.650815 0.344371 0.102942 Rb\n0.868047 0.354691 0.593717 Rb\n0.131953 0.645309 0.406283 Rb\n0.868047 0.145309 0.406283 Rb\n0.131953 0.854691 0.593717 Rb\n0.610590 0.750000 0.500000 Rb\n0.389410 0.250000 0.500000 Rb\n0.913876 0.750000 0.000000 In\n0.086124 0.250000 0.000000 In\n0.660339 0.557824 0.282646 Mo\n0.339661 0.442176 0.717354 Mo\n0.660339 0.942176 0.717354 Mo\n0.339661 0.057824 0.282646 Mo\n0.854356 0.944177 0.194722 Mo\n0.145644 0.055823 0.805278 Mo\n0.854356 0.555823 0.805278 Mo\n0.145644 0.444177 0.194722 Mo\n0.891501 0.118118 0.114251 O\n0.108499 0.881882 0.885749 O\n0.891501 0.381882 0.885749 O\n0.108499 0.618118 0.114251 O\n0.722425 0.623944 0.114557 O\n0.277575 0.376056 0.885443 O\n0.722425 0.876056 0.885443 O\n0.277575 0.123944 0.114557 O\n0.907111 0.893842 0.355152 O\n0.092889 0.106158 0.644848 O\n0.907111 0.606158 0.644848 O\n0.092889 0.393842 0.355152 O\n0.458376 0.605539 0.304486 O\n0.541624 0.394461 0.695514 O\n0.458376 0.894461 0.695514 O\n0.541624 0.105539 0.304486 O\n0.970026 0.851629 0.125026 O\n0.029974 0.148371 0.874974 O\n0.970026 0.648371 0.874974 O\n0.029974 0.351629 0.125026 O\n0.643632 0.919376 0.178180 O\n0.356368 0.080624 0.821820 O\n0.643632 0.580624 0.821820 O\n0.356368 0.419376 0.178180 O\n0.324405 0.886096 0.346777 O\n0.675595 0.113904 0.653223 O\n0.324405 0.613904 0.653223 O\n0.675595 0.386096 0.346777 O\n0.794094 0.611656 0.371605 O\n0.205906 0.388344 0.628395 O\n0.794094 0.888344 0.628395 O\n0.205906 0.111656 0.371605 O\n","nsites":52,"nelements":4,"elements":["Rb","In","Mo","O"],"chemical_system":"In-Mo-O-Rb","density":3.967426140236208,"density_atomic":0.05255930927171019,"volume":989.3585117563325,"volume_molar":11.457800422886057,"formula_full":"Rb10 In2 Mo8 O32","formula_reduced":"Rb5In(MoO4)4","formula_anonymous":"AB4C5D16","energy":-372.01883932,"energy_per_atom":-7.154208448461538,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-324.41883932,"band_gap":3.6133,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002711,"is_theoretical":true,"updated_at":"2021-11-28T01:36:20.499000Z","spacegroup":13},{"id":"mp-3397","created_at":"2022-09-04T14:44:04.850362Z","structure_string":"Ba8 Ti4 O16\n1.0\n7.774553 0.000000 0.000000\n0.000000 6.239858 0.000000\n0.000000 5.521049 10.659138\nBa Ti O\n8 4 16\ndirect\n0.996951 0.975569 0.300977 Ba\n0.496951 0.024431 0.199023 Ba\n0.003049 0.024431 0.699023 Ba\n0.503049 0.975569 0.800977 Ba\n0.660383 0.305174 0.426792 Ba\n0.160383 0.694826 0.073208 Ba\n0.339617 0.694826 0.573208 Ba\n0.839617 0.305174 0.926792 Ba\n0.220133 0.344356 0.416582 Ti\n0.720133 0.655644 0.083418 Ti\n0.779867 0.655644 0.583418 Ti\n0.279867 0.344356 0.916582 Ti\n0.319404 0.265345 0.570428 O\n0.819404 0.734655 0.929572 O\n0.680596 0.734655 0.429572 O\n0.180596 0.265345 0.070428 O\n0.325169 0.143042 0.363002 O\n0.825169 0.856958 0.136998 O\n0.674831 0.856958 0.636998 O\n0.174831 0.143042 0.863002 O\n0.255591 0.666261 0.308834 O\n0.755591 0.333739 0.191166 O\n0.744409 0.333739 0.691166 O\n0.244409 0.666261 0.808834 O\n0.007206 0.724608 0.563512 O\n0.507206 0.275392 0.936488 O\n0.992794 0.275392 0.436488 O\n0.492794 0.724608 0.063512 O\n","nsites":28,"nelements":3,"elements":["Ba","Ti","O"],"chemical_system":"Ba-O-Ti","density":4.964862971165844,"density_atomic":0.054148422802327026,"volume":517.0972403428286,"volume_molar":11.121544171257375,"formula_full":"Ba8 Ti4 O16","formula_reduced":"Ba2TiO4","formula_anonymous":"AB2C4","energy":-221.27569766,"energy_per_atom":-7.902703487857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-210.28369766,"band_gap":4.144,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024422,"is_theoretical":false,"updated_at":"2021-11-28T01:36:29.607000Z","spacegroup":14},{"id":"mp-1520576","created_at":"2022-09-04T14:44:04.877242Z","structure_string":"Na1 Eu1 Zr2 O6\n1.0\n0.000000 -4.180442 -4.180442\n4.180442 -0.000000 -4.180442\n4.180442 -4.180442 0.000000\nNa Eu Zr O\n1 1 2 6\ndirect\n0.500000 0.500000 0.500000 Na\n-0.000000 -0.000000 -0.000000 Eu\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n-0.000000 -0.000000 0.500000 O\n0.500000 0.500000 -0.000000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 -0.000000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 -0.000000 0.500000 O\n","nsites":10,"nelements":4,"elements":["Na","Eu","Zr","O"],"chemical_system":"Eu-Na-O-Zr","density":5.152669142924633,"density_atomic":0.06843895935530594,"volume":146.11560570470186,"volume_molar":8.799287447863735,"formula_full":"Na1 Eu1 Zr2 O6","formula_reduced":"NaEuZr2O6","formula_anonymous":"ABC2D6","energy":-90.48100923,"energy_per_atom":-9.048100923,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.35900923,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9988178,"is_theoretical":true,"updated_at":"2021-11-28T01:36:32.592000Z","spacegroup":225},{"id":"mp-1220655","created_at":"2022-09-04T14:44:04.887293Z","structure_string":"Nd18 Al10 Se42\n1.0\n8.302390 -9.009941 0.000000\n8.302390 9.009941 0.000000\n-1.475402 0.000000 12.162727\nNd Al Se\n18 10 42\ndirect\n0.260180 0.120789 0.886021 Nd\n0.924365 0.773357 0.543366 Nd\n0.604034 0.446939 0.232964 Nd\n0.446939 0.232964 0.604034 Nd\n0.120789 0.886021 0.260180 Nd\n0.773357 0.543366 0.924365 Nd\n0.543366 0.924365 0.773357 Nd\n0.232964 0.604034 0.446939 Nd\n0.886021 0.260180 0.120789 Nd\n0.416644 0.565657 0.791770 Nd\n0.068445 0.220280 0.448804 Nd\n0.754446 0.899641 0.125201 Nd\n0.220280 0.448804 0.068445 Nd\n0.899641 0.125201 0.754446 Nd\n0.565657 0.791770 0.416644 Nd\n0.125201 0.754446 0.899641 Nd\n0.791770 0.416644 0.565657 Nd\n0.448804 0.068445 0.220280 Nd\n0.954436 0.612561 0.278907 Al\n0.612561 0.278907 0.954436 Al\n0.278907 0.954436 0.612561 Al\n0.453131 0.774197 0.118199 Al\n0.118199 0.453131 0.774197 Al\n0.774197 0.118199 0.453131 Al\n0.145223 0.145223 0.145223 Al\n0.829946 0.829946 0.829946 Al\n0.330508 0.330508 0.330508 Al\n0.645346 0.645346 0.645346 Al\n0.828599 0.491392 0.158389 Se\n0.491392 0.158389 0.828599 Se\n0.158389 0.828599 0.491392 Se\n0.658227 0.993212 0.326784 Se\n0.326784 0.658227 0.993212 Se\n0.993212 0.326784 0.658227 Se\n0.991192 0.550982 0.458188 Se\n0.644193 0.214677 0.132049 Se\n0.305102 0.895068 0.794868 Se\n0.895068 0.794868 0.305102 Se\n0.550982 0.458188 0.991192 Se\n0.214677 0.132049 0.644193 Se\n0.132049 0.644193 0.214677 Se\n0.794868 0.305102 0.895068 Se\n0.458188 0.991192 0.550982 Se\n0.523203 0.932456 0.034632 Se\n0.188635 0.616775 0.700851 Se\n0.839281 0.280264 0.369403 Se\n0.616775 0.700851 0.188635 Se\n0.280264 0.369403 0.839281 Se\n0.932456 0.034632 0.523203 Se\n0.369403 0.839281 0.280264 Se\n0.034632 0.523203 0.932456 Se\n0.700851 0.188635 0.616775 Se\n0.692603 0.594196 0.446682 Se\n0.335919 0.242869 0.108602 Se\n0.002708 0.903513 0.762192 Se\n0.903513 0.762192 0.002708 Se\n0.594196 0.446682 0.692603 Se\n0.242869 0.108602 0.335919 Se\n0.108602 0.335919 0.242869 Se\n0.762192 0.002708 0.903513 Se\n0.446682 0.692603 0.594196 Se\n0.624228 0.715681 0.850400 Se\n0.273224 0.379222 0.514906 Se\n0.963668 0.058015 0.209723 Se\n0.379222 0.514906 0.273224 Se\n0.058015 0.209723 0.963668 Se\n0.715681 0.850400 0.624228 Se\n0.209723 0.963668 0.058015 Se\n0.850400 0.624228 0.715681 Se\n0.514906 0.273224 0.379222 Se\n","nsites":70,"nelements":3,"elements":["Nd","Al","Se"],"chemical_system":"Al-Nd-Se","density":5.641915606424478,"density_atomic":0.03846909842628504,"volume":1819.6423327709347,"volume_molar":15.654488944001898,"formula_full":"Nd18 Al10 Se42","formula_reduced":"Nd9Al5Se21","formula_anonymous":"A5B9C21","energy":-396.95564624,"energy_per_atom":-5.670794946285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-377.13164624,"band_gap":1.7754,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002053,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.704000Z","spacegroup":146},{"id":"mp-1211654","created_at":"2022-09-04T14:44:04.890752Z","structure_string":"K6 Dy2 F12\n1.0\n6.636430 0.000000 0.000000\n0.000000 6.429051 0.000000\n0.000000 6.401885 9.179536\nK Dy F\n6 2 12\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.500000 K\n0.048864 0.733192 0.753835 K\n0.951136 0.266808 0.246165 K\n0.548864 0.266808 0.746165 K\n0.451136 0.733192 0.253835 K\n0.500000 0.000000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.772765 0.766637 0.566136 F\n0.227235 0.233363 0.433864 F\n0.272765 0.233363 0.933864 F\n0.727235 0.766637 0.066136 F\n0.447073 0.884504 0.723928 F\n0.552927 0.115496 0.276072 F\n0.947073 0.115496 0.776072 F\n0.052927 0.884504 0.223928 F\n0.326559 0.671562 0.549420 F\n0.673441 0.328438 0.450580 F\n0.826559 0.328438 0.950580 F\n0.173441 0.671562 0.049420 F\n","nsites":20,"nelements":3,"elements":["K","Dy","F"],"chemical_system":"Dy-F-K","density":3.3391543619106607,"density_atomic":0.05106553396809104,"volume":391.65359579902287,"volume_molar":11.792965415309302,"formula_full":"K6 Dy2 F12","formula_reduced":"K3DyF6","formula_anonymous":"AB3C6","energy":-110.93260384,"energy_per_atom":-5.546630192,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.38860384,"band_gap":6.6673,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005615,"is_theoretical":true,"updated_at":"2021-11-28T01:36:24.094000Z","spacegroup":14},{"id":"mp-24004","created_at":"2022-09-04T14:44:04.935019Z","structure_string":"Zn8 P4 H4 O20\n1.0\n6.062492 0.000000 0.000000\n0.000000 8.213562 0.000000\n0.000000 0.000000 8.395985\nZn P H O\n8 4 4 20\ndirect\n0.752782 0.000000 0.500000 Zn\n0.747218 0.500000 0.000000 Zn\n0.247218 0.000000 0.500000 Zn\n0.252782 0.500000 0.000000 Zn\n0.000000 0.135597 0.863196 Zn\n0.000000 0.864403 0.136804 Zn\n0.500000 0.635597 0.636804 Zn\n0.500000 0.364403 0.363196 Zn\n0.500000 0.249676 0.739188 P\n0.500000 0.750324 0.260812 P\n0.000000 0.749676 0.760812 P\n0.000000 0.250324 0.239188 P\n0.000000 0.224535 0.578633 H\n0.000000 0.775465 0.421367 H\n0.500000 0.724535 0.921367 H\n0.500000 0.275465 0.078633 H\n0.000000 0.114922 0.623666 O\n0.000000 0.885078 0.376334 O\n0.500000 0.614922 0.876334 O\n0.500000 0.385078 0.123666 O\n0.707683 0.733696 0.153032 O\n0.707683 0.266304 0.846968 O\n0.792317 0.233696 0.346968 O\n0.792317 0.766304 0.653032 O\n0.000000 0.113754 0.109077 O\n0.000000 0.886246 0.890923 O\n0.500000 0.613754 0.390923 O\n0.500000 0.386246 0.609077 O\n0.000000 0.416354 0.146989 O\n0.000000 0.583646 0.853011 O\n0.500000 0.916354 0.353011 O\n0.500000 0.083646 0.646989 O\n0.207683 0.233696 0.346968 O\n0.207683 0.766304 0.653032 O\n0.292317 0.733696 0.153032 O\n0.292317 0.266304 0.846968 O\n","nsites":36,"nelements":4,"elements":["Zn","P","H","O"],"chemical_system":"H-O-P-Zn","density":3.857425079375009,"density_atomic":0.0861089172721153,"volume":418.0751673631588,"volume_molar":6.993631961448613,"formula_full":"Zn8 P4 H4 O20","formula_reduced":"Zn2PHO5","formula_anonymous":"ABC2D5","energy":-220.44418144,"energy_per_atom":-6.1234494844444445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-206.70418144,"band_gap":3.0421,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011504,"is_theoretical":false,"updated_at":"2021-11-28T01:36:34.186000Z","spacegroup":58},{"id":"mp-1217263","created_at":"2022-09-04T14:44:04.976199Z","structure_string":"Te1 Pd1 Se1\n1.0\n1.985097 -3.438289 0.000000\n1.985097 3.438289 0.000000\n0.000000 0.000000 5.109180\nTe Pd Se\n1 1 1\ndirect\n0.000000 0.000000 0.737011 Te\n0.333333 0.666667 0.009343 Pd\n0.666667 0.333333 0.253646 Se\n","nsites":3,"nelements":3,"elements":["Te","Pd","Se"],"chemical_system":"Pd-Se-Te","density":7.4517859887862565,"density_atomic":0.04301460555311014,"volume":69.74375241674365,"volume_molar":14.000223139474015,"formula_full":"Te1 Pd1 Se1","formula_reduced":"TePdSe","formula_anonymous":"ABC","energy":-13.63813547,"energy_per_atom":-4.546045156666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.74413547,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005589,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.609000Z","spacegroup":156},{"id":"mp-1196567","created_at":"2022-09-04T14:44:04.887524Z","structure_string":"Er42 Ir28\n1.0\n-5.588381 5.588381 12.534543\n5.588381 -5.588381 12.534543\n5.588381 5.588381 -12.534543\nEr Ir\n42 28\ndirect\n0.632302 0.503769 0.279259 Er\n0.224510 0.353043 0.720741 Er\n0.132302 0.853043 0.128533 Er\n0.724510 0.003769 0.871467 Er\n0.353043 0.632302 0.128533 Er\n0.503769 0.224510 0.871467 Er\n0.003769 0.132302 0.279259 Er\n0.853043 0.724510 0.720741 Er\n0.367698 0.496231 0.720741 Er\n0.775490 0.646957 0.279259 Er\n0.867698 0.146957 0.871467 Er\n0.275490 0.996231 0.128533 Er\n0.646957 0.367698 0.871467 Er\n0.496231 0.775490 0.128533 Er\n0.996231 0.867698 0.720741 Er\n0.146957 0.275490 0.279259 Er\n0.385550 0.516786 0.290122 Er\n0.226663 0.095427 0.709878 Er\n0.885550 0.595427 0.868764 Er\n0.726663 0.016786 0.131236 Er\n0.095427 0.385550 0.868764 Er\n0.516786 0.226663 0.131236 Er\n0.016786 0.885550 0.290122 Er\n0.595427 0.726663 0.709878 Er\n0.614450 0.483214 0.709878 Er\n0.773337 0.904573 0.290122 Er\n0.114450 0.404573 0.131236 Er\n0.273337 0.983214 0.868764 Er\n0.904573 0.614450 0.131236 Er\n0.483214 0.773337 0.868764 Er\n0.983214 0.114450 0.709878 Er\n0.404573 0.273337 0.290122 Er\n0.850260 0.350260 0.200520 Er\n0.149740 0.649740 0.799480 Er\n0.350260 0.149740 0.500000 Er\n0.649740 0.850260 0.500000 Er\n0.387656 0.887656 0.500000 Er\n0.887656 0.387656 0.500000 Er\n0.612344 0.112344 0.500000 Er\n0.112344 0.612344 0.500000 Er\n0.250000 0.750000 0.500000 Er\n0.750000 0.250000 0.500000 Er\n0.714695 0.214695 0.141455 Ir\n0.073240 0.573240 0.858545 Ir\n0.214695 0.073240 0.500000 Ir\n0.573240 0.714695 0.500000 Ir\n0.285305 0.785305 0.858545 Ir\n0.926760 0.426760 0.141455 Ir\n0.785305 0.926760 0.500000 Ir\n0.426760 0.285305 0.500000 Ir\n0.465696 0.965696 0.808385 Ir\n0.157311 0.657311 0.191615 Ir\n0.965696 0.157311 0.500000 Ir\n0.657311 0.465696 0.500000 Ir\n0.534304 0.034304 0.191615 Ir\n0.842689 0.342689 0.808385 Ir\n0.034304 0.842689 0.500000 Ir\n0.342689 0.534304 0.500000 Ir\n0.596616 0.096616 0.693233 Ir\n0.403384 0.903384 0.306767 Ir\n0.096616 0.403384 0.500000 Ir\n0.903384 0.596616 0.500000 Ir\n0.366135 0.366135 0.000000 Ir\n0.866135 0.866135 0.000000 Ir\n0.633865 0.633865 0.000000 Ir\n0.133865 0.133865 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.000000 Ir\n0.750000 0.750000 0.000000 Ir\n","nsites":70,"nelements":2,"elements":["Er","Ir"],"chemical_system":"Er-Ir","density":13.157511516089308,"density_atomic":0.04470514721019781,"volume":1565.8152219221886,"volume_molar":13.470799529380082,"formula_full":"Er42 Ir28","formula_reduced":"Er3Ir2","formula_anonymous":"A2B3","energy":-499.01447634,"energy_per_atom":-7.128778233428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-499.01447634,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001295,"is_theoretical":false,"updated_at":"2021-11-28T01:36:30.527000Z","spacegroup":140},{"id":"mp-4659","created_at":"2022-09-04T14:44:04.890925Z","structure_string":"Cd8 P16 O48\n1.0\n7.167873 0.000000 0.000000\n0.000000 9.822194 0.000000\n0.000000 0.000000 13.866048\nCd P O\n8 16 48\ndirect\n0.550900 0.992393 0.293670 Cd\n0.050900 0.507607 0.706330 Cd\n0.449100 0.492393 0.206330 Cd\n0.949100 0.007607 0.793670 Cd\n0.449100 0.007607 0.706330 Cd\n0.949100 0.492393 0.293670 Cd\n0.550900 0.507607 0.793670 Cd\n0.050900 0.992393 0.206330 Cd\n0.082423 0.300316 0.097492 P\n0.582423 0.199684 0.902508 P\n0.917577 0.800316 0.402508 P\n0.417577 0.699684 0.597492 P\n0.917577 0.699684 0.902508 P\n0.417577 0.800316 0.097492 P\n0.082423 0.199684 0.597492 P\n0.582423 0.300316 0.402508 P\n0.685390 0.212107 0.106079 P\n0.185390 0.287893 0.893921 P\n0.314610 0.712107 0.393921 P\n0.814610 0.787893 0.606079 P\n0.314610 0.787893 0.893921 P\n0.814610 0.712107 0.106079 P\n0.685390 0.287893 0.606079 P\n0.185390 0.212107 0.393921 P\n0.656357 0.137607 0.002959 O\n0.156357 0.362393 0.997041 O\n0.343643 0.637607 0.497041 O\n0.843643 0.862393 0.502959 O\n0.343643 0.862393 0.997041 O\n0.843643 0.637607 0.002959 O\n0.656357 0.362393 0.502959 O\n0.156357 0.137607 0.497041 O\n0.858467 0.313879 0.087967 O\n0.358467 0.186121 0.912033 O\n0.141533 0.813879 0.412033 O\n0.641533 0.686121 0.587967 O\n0.141533 0.686121 0.912033 O\n0.641533 0.813879 0.087967 O\n0.858467 0.186121 0.587967 O\n0.358467 0.313879 0.412033 O\n0.137678 0.154044 0.105462 O\n0.138399 0.402658 0.174296 O\n0.637678 0.345956 0.894538 O\n0.362322 0.845956 0.605462 O\n0.862322 0.845956 0.894538 O\n0.362322 0.654044 0.105462 O\n0.137678 0.345956 0.605462 O\n0.637678 0.154044 0.394538 O\n0.019367 0.298660 0.372067 O\n0.519367 0.201340 0.627933 O\n0.980633 0.798660 0.127933 O\n0.480633 0.701340 0.872067 O\n0.980633 0.701340 0.627933 O\n0.480633 0.798660 0.372067 O\n0.019367 0.201340 0.872067 O\n0.519367 0.298660 0.127933 O\n0.241018 0.100975 0.323734 O\n0.741018 0.399025 0.676266 O\n0.758982 0.600975 0.176266 O\n0.258982 0.899025 0.823734 O\n0.758982 0.899025 0.676266 O\n0.258982 0.600975 0.323734 O\n0.241018 0.399025 0.823734 O\n0.741018 0.100975 0.176266 O\n0.638399 0.402658 0.325704 O\n0.138399 0.097342 0.674296 O\n0.361601 0.902658 0.174296 O\n0.861601 0.597342 0.825704 O\n0.361601 0.597342 0.674296 O\n0.861601 0.902658 0.325704 O\n0.638399 0.097342 0.825704 O\n0.862322 0.654044 0.394538 O\n","nsites":72,"nelements":3,"elements":["Cd","P","O"],"chemical_system":"Cd-O-P","density":3.67893283720557,"density_atomic":0.07375322026650041,"volume":976.2285597813178,"volume_molar":8.165258056854404,"formula_full":"Cd8 P16 O48","formula_reduced":"Cd(PO3)2","formula_anonymous":"AB2C6","energy":-507.21329837,"energy_per_atom":-7.044629144027778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-474.2372983700001,"band_gap":3.9678,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.178000Z","spacegroup":61}]}