{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=2","previous":null,"results":[{"id":"mp-26251","created_at":"2022-09-04T14:40:21.267919Z","structure_string":"Li4 V4 P8 O28\n1.0\n-1.322819 -5.068235 3.803381\n5.243151 -0.002993 3.806459\n-3.937727 5.104958 10.590677\nLi V P O\n4 4 8 28\ndirect\n0.250315 0.749174 0.000539 Li\n0.500532 0.999827 0.249713 Li\n0.749961 0.250122 0.499783 Li\n0.000031 0.499767 0.750340 Li\n0.624581 0.874607 0.749882 V\n0.874309 0.124576 0.999437 V\n0.125243 0.375706 0.250282 V\n0.374823 0.625253 0.499891 V\n0.746604 0.666412 0.999077 P\n0.995642 0.917197 0.248851 P\n0.246525 0.166870 0.499063 P\n0.496797 0.416549 0.749002 P\n0.583426 0.503452 0.250825 P\n0.833073 0.753506 0.500901 P\n0.083095 0.003875 0.750767 P\n0.332872 0.254584 0.000968 P\n0.596402 0.653537 0.125006 O\n0.846653 0.903329 0.375052 O\n0.096603 0.153343 0.624933 O\n0.346542 0.403360 0.874869 O\n0.919154 0.805931 0.993470 O\n0.167729 0.057765 0.242663 O\n0.418805 0.306876 0.493072 O\n0.669220 0.556263 0.743276 O\n0.443736 0.330961 0.256616 O\n0.692990 0.581275 0.506913 O\n0.942786 0.831707 0.757132 O\n0.192123 0.082548 0.007447 O\n0.580600 0.769006 0.924336 O\n0.829370 0.018120 0.174280 O\n0.080400 0.268655 0.424342 O\n0.330968 0.518815 0.674159 O\n0.481026 0.669054 0.325797 O\n0.731277 0.919168 0.575805 O\n0.981818 0.169754 0.825507 O\n0.232229 0.420395 0.075726 O\n0.851232 0.445431 0.980655 O\n0.101026 0.695869 0.230331 O\n0.351225 0.945823 0.480357 O\n0.601456 0.195530 0.730519 O\n0.804564 0.398789 0.269431 O\n0.054239 0.648641 0.519680 O\n0.304275 0.898925 0.769683 O\n0.554316 0.149058 0.019623 O\n","nsites":44,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":3.1755368145763505,"density_atomic":0.09074003188619933,"volume":484.9017471713272,"volume_molar":6.6366967641719645,"formula_full":"Li4 V4 P8 O28","formula_reduced":"LiVP2O7","formula_anonymous":"ABC2D7","energy":-345.1362431,"energy_per_atom":-7.844005525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-319.1002431,"band_gap":1.8886,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0007678,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.943000Z","spacegroup":5},{"id":"mp-1247687","created_at":"2022-09-04T14:40:21.269830Z","structure_string":"Sr4 Ca28 Ti8 Mn24 O96\n1.0\n10.878923 0.000669 -0.001063\n0.000937 15.249154 -0.001403\n-0.001048 -0.000987 10.745165\nSr Ca Ti Mn O\n4 28 8 24 96\ndirect\n0.011405 0.124637 0.498268 Sr\n0.485948 0.376561 0.002358 Sr\n0.235183 0.377549 0.247140 Sr\n0.268109 0.124370 0.253307 Sr\n0.017251 0.124636 0.995589 Ca\n0.023136 0.625193 0.496490 Ca\n0.022967 0.625249 0.996805 Ca\n0.523612 0.124709 0.495499 Ca\n0.524452 0.124937 0.995302 Ca\n0.523258 0.625278 0.495205 Ca\n0.523010 0.625177 0.995663 Ca\n0.480335 0.376561 0.505504 Ca\n0.479187 0.873487 0.005077 Ca\n0.479545 0.873283 0.504772 Ca\n0.976902 0.377065 0.004264 Ca\n0.975999 0.376969 0.504270 Ca\n0.976220 0.872823 0.004435 Ca\n0.976657 0.873019 0.503847 Ca\n0.228573 0.377946 0.744405 Ca\n0.228977 0.872108 0.246016 Ca\n0.228743 0.871977 0.745567 Ca\n0.728655 0.374856 0.246753 Ca\n0.727092 0.374882 0.745150 Ca\n0.727210 0.875070 0.245682 Ca\n0.726758 0.875106 0.745296 Ca\n0.275191 0.124470 0.755259 Ca\n0.273376 0.625375 0.252841 Ca\n0.273531 0.625519 0.753331 Ca\n0.766184 0.124778 0.253588 Ca\n0.768235 0.125035 0.755516 Ca\n0.772628 0.625188 0.254400 Ca\n0.772909 0.624937 0.754792 Ca\n0.996631 0.997032 0.249534 Ti\n0.998444 0.997960 0.752298 Ti\n0.251213 0.997563 0.999133 Ti\n0.252154 0.997298 0.503168 Ti\n0.249795 0.250368 0.997939 Ti\n0.251518 0.251788 0.504573 Ti\n0.995467 0.252272 0.249963 Ti\n0.998086 0.251831 0.751804 Ti\n0.999313 0.502233 0.250759 Mn\n0.000171 0.501639 0.750727 Mn\n0.502679 0.998949 0.251870 Mn\n0.502160 0.999540 0.751977 Mn\n0.502665 0.502486 0.250748 Mn\n0.500550 0.501379 0.747867 Mn\n0.249759 0.502774 0.997061 Mn\n0.250664 0.502451 0.500911 Mn\n0.747914 0.998750 0.001311 Mn\n0.746321 0.998276 0.501329 Mn\n0.751965 0.501530 0.000923 Mn\n0.750085 0.500884 0.500955 Mn\n0.250543 0.748775 0.998567 Mn\n0.251000 0.748658 0.498960 Mn\n0.749501 0.249789 0.001958 Mn\n0.746267 0.251195 0.501565 Mn\n0.750078 0.749990 0.000123 Mn\n0.749871 0.749521 0.500677 Mn\n0.000212 0.748457 0.250670 Mn\n0.000293 0.748618 0.750923 Mn\n0.503991 0.248649 0.252110 Mn\n0.501689 0.249151 0.750044 Mn\n0.500880 0.750091 0.250309 Mn\n0.500549 0.749887 0.750074 Mn\n0.104898 0.266334 0.104110 O\n0.106196 0.269580 0.608169 O\n0.104985 0.770493 0.103379 O\n0.104822 0.770390 0.603588 O\n0.609142 0.266521 0.107427 O\n0.602833 0.269674 0.601283 O\n0.604486 0.770239 0.103202 O\n0.604363 0.770175 0.603428 O\n0.397963 0.234343 0.393735 O\n0.396653 0.230488 0.889921 O\n0.396367 0.728697 0.396493 O\n0.396460 0.728890 0.896353 O\n0.885370 0.236085 0.391309 O\n0.891612 0.232796 0.897590 O\n0.896152 0.728929 0.397576 O\n0.896271 0.728889 0.897387 O\n0.138678 0.237654 0.360409 O\n0.143880 0.232758 0.853273 O\n0.146654 0.728378 0.352860 O\n0.146527 0.728379 0.852515 O\n0.646434 0.229569 0.354335 O\n0.646167 0.230400 0.853245 O\n0.646211 0.729331 0.353243 O\n0.646014 0.729326 0.853003 O\n0.362554 0.262851 0.140654 O\n0.357799 0.267657 0.648228 O\n0.355153 0.770283 0.146108 O\n0.355263 0.770209 0.646416 O\n0.853262 0.269193 0.141369 O\n0.853412 0.268326 0.641967 O\n0.853957 0.770741 0.146739 O\n0.854130 0.770745 0.646970 O\n0.358411 0.487471 0.142160 O\n0.354921 0.481400 0.646647 O\n0.358890 0.980359 0.145150 O\n0.357849 0.980409 0.648099 O\n0.854511 0.479825 0.146470 O\n0.854127 0.479340 0.646974 O\n0.852348 0.980136 0.141802 O\n0.853444 0.981541 0.641855 O\n0.139819 0.011399 0.358938 O\n0.143918 0.016154 0.853851 O\n0.144814 0.522885 0.354936 O\n0.146120 0.522495 0.851693 O\n0.646462 0.019775 0.353047 O\n0.646945 0.020296 0.852323 O\n0.646239 0.521291 0.354446 O\n0.645037 0.519935 0.853980 O\n0.398747 0.016223 0.394641 O\n0.397925 0.018246 0.892970 O\n0.395706 0.520665 0.396087 O\n0.394555 0.522820 0.892991 O\n0.885849 0.013062 0.391162 O\n0.891462 0.016920 0.897663 O\n0.895444 0.521776 0.397795 O\n0.896186 0.521299 0.897381 O\n0.102404 0.482603 0.101786 O\n0.104151 0.480108 0.604353 O\n0.106255 0.981277 0.104890 O\n0.107056 0.979670 0.607535 O\n0.610472 0.484785 0.108891 O\n0.604684 0.481000 0.602223 O\n0.603241 0.978542 0.101946 O\n0.602565 0.979082 0.602370 O\n0.001455 0.379003 0.284556 O\n0.007492 0.378172 0.786725 O\n0.007854 0.870963 0.284766 O\n0.007711 0.871707 0.786888 O\n0.509914 0.375809 0.287578 O\n0.511446 0.375442 0.779510 O\n0.511776 0.874314 0.290474 O\n0.511429 0.874594 0.790658 O\n0.499064 0.123609 0.211846 O\n0.491345 0.124460 0.710184 O\n0.490496 0.626570 0.211300 O\n0.490128 0.625479 0.709331 O\n0.991363 0.124550 0.217573 O\n0.989729 0.124845 0.724808 O\n0.988469 0.625425 0.209964 O\n0.988834 0.625045 0.709778 O\n0.240367 0.124161 0.024606 O\n0.247237 0.124655 0.533295 O\n0.238733 0.626101 0.039200 O\n0.239943 0.625366 0.540574 O\n0.739725 0.124128 0.039921 O\n0.740467 0.124770 0.540258 O\n0.740260 0.625863 0.039092 O\n0.739271 0.625230 0.540062 O\n0.259744 0.378431 0.474650 O\n0.252707 0.378171 0.964668 O\n0.260053 0.871433 0.464178 O\n0.258698 0.872094 0.962753 O\n0.758651 0.376285 0.461702 O\n0.757930 0.375734 0.961442 O\n0.758959 0.873656 0.461097 O\n0.759831 0.874250 0.960029 O\n","nsites":160,"nelements":5,"elements":["Sr","Ca","Ti","Mn","O"],"chemical_system":"Ca-Mn-O-Sr-Ti","density":4.3876339438663035,"density_atomic":0.08975843052259937,"volume":1782.5623628714768,"volume_molar":6.709275914181395,"formula_full":"Sr4 Ca28 Ti8 Mn24 O96","formula_reduced":"SrCa7Ti2Mn6O24","formula_anonymous":"AB2C6D7E24","energy":-1260.77426014,"energy_per_atom":-7.879839125875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1154.79026014,"band_gap":0.3421000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":72.0000027,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.274000Z","spacegroup":1},{"id":"mp-770400","created_at":"2022-09-04T14:40:21.275943Z","structure_string":"Li8 Al4 Ni4 O16\n1.0\n10.728999 0.000000 0.000000\n0.000000 5.098234 0.000000\n0.000000 5.076781 6.370809\nLi Al Ni O\n8 4 4 16\ndirect\n0.834122 0.300044 0.011073 Li\n0.080153 0.055456 0.241919 Li\n0.580153 0.944544 0.258081 Li\n0.334122 0.699956 0.488927 Li\n0.665878 0.300044 0.511073 Li\n0.419847 0.055456 0.741919 Li\n0.919847 0.944544 0.758081 Li\n0.165878 0.699956 0.988927 Li\n0.412438 0.443924 0.240229 Al\n0.912438 0.556076 0.259771 Al\n0.087562 0.443924 0.740229 Al\n0.587562 0.556076 0.759771 Al\n0.666777 0.810450 0.007701 Ni\n0.166777 0.189550 0.492299 Ni\n0.833223 0.810450 0.507701 Ni\n0.333223 0.189550 0.992299 Ni\n0.335786 0.798613 0.016691 O\n0.831533 0.679339 0.029529 O\n0.070300 0.462268 0.249897 O\n0.407698 0.106495 0.227909 O\n0.907698 0.893505 0.272091 O\n0.570300 0.537732 0.250103 O\n0.331533 0.320661 0.470471 O\n0.835786 0.201387 0.483309 O\n0.164214 0.798613 0.516691 O\n0.668467 0.679339 0.529529 O\n0.429700 0.462268 0.749897 O\n0.092302 0.106495 0.727909 O\n0.592302 0.893505 0.772091 O\n0.929700 0.537732 0.750103 O\n0.168467 0.320661 0.970471 O\n0.664214 0.201387 0.983309 O\n","nsites":32,"nelements":4,"elements":["Li","Al","Ni","O"],"chemical_system":"Al-Li-Ni-O","density":3.1174402208185903,"density_atomic":0.09182827447207416,"volume":348.476546945587,"volume_molar":6.558046303953353,"formula_full":"Li8 Al4 Ni4 O16","formula_reduced":"Li2AlNiO4","formula_anonymous":"ABC2D4","energy":-202.93794642,"energy_per_atom":-6.341810825625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-181.78194642,"band_gap":1.2242,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9989727,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.606000Z","spacegroup":14},{"id":"mp-1076123","created_at":"2022-09-04T14:40:21.279257Z","structure_string":"Eu4 Co4 O10\n1.0\n-2.665832 2.836076 7.718685\n2.665832 -2.836076 7.718685\n2.665832 2.836076 -7.718685\nEu Co O\n4 4 10\ndirect\n0.914513 0.392314 0.527736 Eu\n0.085487 0.613223 0.477802 Eu\n0.364578 0.892314 0.477802 Eu\n0.635422 0.113223 0.527736 Eu\n0.000000 0.011463 0.011463 Co\n0.500000 0.511463 0.011463 Co\n0.682967 0.717095 0.900062 Co\n0.317033 0.217095 0.034127 Co\n0.269972 0.273988 0.512812 O\n0.730028 0.242840 0.004016 O\n0.261176 0.773988 0.004016 O\n0.738824 0.742840 0.512812 O\n0.933368 0.900256 0.108639 O\n0.066632 0.175271 0.966888 O\n0.291617 0.400256 0.966888 O\n0.708383 0.675271 0.108639 O\n0.645855 0.337549 0.483404 O\n0.354145 0.837549 0.691695 O\n","nsites":18,"nelements":3,"elements":["Eu","Co","O"],"chemical_system":"Co-Eu-O","density":7.139180259647533,"density_atomic":0.07711139404867323,"volume":233.4285383122276,"volume_molar":7.809663972873818,"formula_full":"Eu4 Co4 O10","formula_reduced":"Eu2Co2O5","formula_anonymous":"A2B2C5","energy":-160.29595914,"energy_per_atom":-8.905331063333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-146.87395914,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":36.0862697,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.084000Z","spacegroup":46},{"id":"mp-567543","created_at":"2022-09-04T14:40:21.284975Z","structure_string":"U2 Hg6 Te4 Cl12\n1.0\n8.082078 0.000000 0.000000\n0.000000 7.026155 0.000000\n0.000000 0.472640 14.043920\nU Hg Te Cl\n2 6 4 12\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.000000 0.500000 U\n0.787864 0.494535 0.759251 Hg\n0.287864 0.505465 0.740749 Hg\n0.212136 0.505465 0.240749 Hg\n0.712136 0.494535 0.259251 Hg\n0.000000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.467915 0.302478 0.170038 Te\n0.032085 0.302478 0.670038 Te\n0.967915 0.697522 0.329962 Te\n0.532085 0.697522 0.829962 Te\n0.339145 0.308676 0.440636 Cl\n0.547499 0.157533 0.664341 Cl\n0.047499 0.842467 0.835659 Cl\n0.224050 0.849143 0.569756 Cl\n0.952501 0.157533 0.164341 Cl\n0.275950 0.849143 0.069756 Cl\n0.660855 0.691324 0.559364 Cl\n0.452501 0.842467 0.335659 Cl\n0.775950 0.150857 0.430244 Cl\n0.839145 0.691324 0.059364 Cl\n0.724050 0.150857 0.930244 Cl\n0.160855 0.308676 0.940636 Cl\n","nsites":24,"nelements":4,"elements":["U","Hg","Te","Cl"],"chemical_system":"Cl-Hg-Te-U","density":5.445825511295654,"density_atomic":0.0300941534461811,"volume":797.497096667644,"volume_molar":20.010999049266164,"formula_full":"U2 Hg6 Te4 Cl12","formula_reduced":"UHg3(TeCl3)2","formula_anonymous":"AB2C3D6","energy":-92.23747091,"energy_per_atom":-3.8432279545833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.18147091,"band_gap":0.1998000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:47.707000Z","spacegroup":14},{"id":"mp-643432","created_at":"2022-09-04T14:40:21.596865Z","structure_string":"H12 N4\n1.0\n3.402892 0.000000 0.000000\n0.000000 5.648562 0.000000\n0.000000 0.000000 5.889895\nH N\n12 4\ndirect\n0.122242 0.484159 0.055381 H\n0.877758 0.984159 0.444619 H\n0.622242 0.015841 0.944619 H\n0.377758 0.515841 0.555381 H\n0.729530 0.570518 0.916936 H\n0.270470 0.070518 0.583064 H\n0.229530 0.929482 0.083064 H\n0.770470 0.429482 0.416936 H\n0.978653 0.340444 0.826291 H\n0.021347 0.840444 0.673709 H\n0.478653 0.159556 0.173709 H\n0.521347 0.659556 0.326291 H\n0.010115 0.506391 0.895209 N\n0.989885 0.006391 0.604791 N\n0.510115 0.993609 0.104791 N\n0.489885 0.493609 0.395209 N\n","nsites":16,"nelements":2,"elements":["H","N"],"chemical_system":"H-N","density":0.9991791868171832,"density_atomic":0.1413273983308749,"volume":113.21230128740423,"volume_molar":4.261127588226734,"formula_full":"H12 N4","formula_reduced":"H3N","formula_anonymous":"AB3","energy":-80.55381112,"energy_per_atom":-5.034613195,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.10981112,"band_gap":4.4529,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003494,"is_theoretical":false,"updated_at":"2021-11-28T01:34:54.631000Z","spacegroup":19},{"id":"mp-1198138","created_at":"2022-09-04T14:40:21.248744Z","structure_string":"Sn4 H16 S4 N4 O16 F4\n1.0\n4.936335 0.000000 0.000000\n0.000000 15.471904 0.000000\n-0.055091 0.000000 8.149625\nSn H S N O F\n4 16 4 4 16 4\ndirect\n0.793240 0.722535 0.972013 Sn\n0.206760 0.222535 0.527987 Sn\n0.206760 0.277465 0.027987 Sn\n0.793240 0.777465 0.472013 Sn\n0.232754 0.562730 0.389873 H\n0.767246 0.062730 0.110127 H\n0.767246 0.437270 0.610127 H\n0.232754 0.937270 0.889873 H\n0.421381 0.582036 0.218370 H\n0.578619 0.082036 0.281630 H\n0.578619 0.417964 0.781630 H\n0.421381 0.917964 0.718370 H\n0.265643 0.486017 0.244174 H\n0.734357 0.986017 0.255826 H\n0.734357 0.513983 0.755826 H\n0.265643 0.013983 0.744174 H\n0.076513 0.574820 0.206100 H\n0.923487 0.074820 0.293900 H\n0.923487 0.425180 0.793900 H\n0.076513 0.925180 0.706100 H\n0.262887 0.854241 0.230873 S\n0.737113 0.354241 0.269127 S\n0.737113 0.145759 0.769127 S\n0.262887 0.645759 0.730873 S\n0.249425 0.551630 0.264055 N\n0.750575 0.051630 0.235945 N\n0.750575 0.448370 0.735945 N\n0.249425 0.948370 0.764055 N\n0.201543 0.765174 0.171612 O\n0.798457 0.265174 0.328388 O\n0.798457 0.234826 0.828388 O\n0.201543 0.734826 0.671612 O\n0.558291 0.639165 0.779104 O\n0.441709 0.139165 0.720896 O\n0.441709 0.360835 0.220896 O\n0.558291 0.860835 0.279104 O\n0.101766 0.629845 0.886421 O\n0.898234 0.129845 0.613579 O\n0.898234 0.370155 0.113579 O\n0.101766 0.870155 0.386421 O\n0.200838 0.921151 0.109403 O\n0.799162 0.421151 0.390597 O\n0.799162 0.078849 0.890597 O\n0.200838 0.578849 0.609403 O\n0.739338 0.625034 0.145551 F\n0.260662 0.125034 0.354449 F\n0.260662 0.374966 0.854449 F\n0.739338 0.874966 0.645551 F\n","nsites":48,"nelements":6,"elements":["Sn","H","S","N","O","F"],"chemical_system":"F-H-N-O-S-Sn","density":2.6871698836576714,"density_atomic":0.07711790534969054,"volume":622.4235446015341,"volume_molar":7.809004579017869,"formula_full":"Sn4 H16 S4 N4 O16 F4","formula_reduced":"SnH4SNO4F","formula_anonymous":"ABCDE4F4","energy":-277.58200547,"energy_per_atom":-5.782958447291667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-263.29800547,"band_gap":4.0695,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1414118,"is_theoretical":false,"updated_at":"2021-11-28T01:35:05.110000Z","spacegroup":14},{"id":"mp-1079704","created_at":"2022-09-04T14:40:21.287761Z","structure_string":"Tb3 Sn7\n1.0\n2.249526 -13.064451 0.000000\n2.249526 13.064451 0.000000\n0.000000 0.000000 4.499377\nTb Sn\n3 7\ndirect\n0.000000 0.000000 0.500000 Tb\n0.311331 0.688669 0.000000 Tb\n0.688669 0.311331 0.000000 Tb\n0.500000 0.500000 0.000000 Sn\n0.403817 0.596183 0.500000 Sn\n0.596183 0.403817 0.500000 Sn\n0.095881 0.904119 0.000000 Sn\n0.904119 0.095881 0.000000 Sn\n0.211374 0.788626 0.500000 Sn\n0.788626 0.211374 0.500000 Sn\n","nsites":10,"nelements":2,"elements":["Tb","Sn"],"chemical_system":"Sn-Tb","density":8.211225013589502,"density_atomic":0.0378125040874392,"volume":264.4627813295725,"volume_molar":15.926320949477859,"formula_full":"Tb3 Sn7","formula_reduced":"Tb3Sn7","formula_anonymous":"A3B7","energy":-47.4981087,"energy_per_atom":-4.74981087,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.4981087,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001903,"is_theoretical":false,"updated_at":"2021-11-28T01:35:05.788000Z","spacegroup":65},{"id":"mp-1216081","created_at":"2022-09-04T14:40:21.328153Z","structure_string":"Y2 Ga3 Cu1\n1.0\n2.186603 -3.787308 0.000000\n2.186603 3.787308 0.000000\n0.000000 0.000000 7.296868\nY Ga Cu\n2 3 1\ndirect\n0.333333 0.666667 0.768950 Y\n0.333333 0.666667 0.237024 Y\n0.000000 0.000000 0.018586 Ga\n0.000000 0.000000 0.459191 Ga\n0.666667 0.333333 0.543463 Ga\n0.666667 0.333333 0.972786 Cu\n","nsites":6,"nelements":3,"elements":["Y","Ga","Cu"],"chemical_system":"Cu-Ga-Y","density":6.1901700701011855,"density_atomic":0.04964599279470573,"volume":120.85567559925687,"volume_molar":12.130164835060372,"formula_full":"Y2 Ga3 Cu1","formula_reduced":"Y2Ga3Cu","formula_anonymous":"AB2C3","energy":-29.77166865,"energy_per_atom":-4.961944775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.77166865,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.58e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.220000Z","spacegroup":156},{"id":"mp-1331839","created_at":"2022-09-04T14:40:21.344497Z","structure_string":"Li4 V2 Cr2 P8 O28\n1.0\n7.017961 0.000000 0.000000\n-1.566257 9.419708 0.000000\n-1.568328 -4.912726 8.037455\nLi V Cr P O\n4 2 2 8 28\ndirect\n0.322906 0.136755 0.843545 Li\n0.677525 0.636746 0.269491 Li\n0.677063 0.636624 0.769966 Li\n0.322704 0.136659 0.343675 Li\n0.270695 0.500842 0.141363 V\n0.729040 0.000877 0.107491 V\n0.727602 0.000305 0.607307 Cr\n0.272539 0.500329 0.642618 Cr\n0.478860 0.820128 0.889466 P\n0.085610 0.715235 0.249099 P\n0.085439 0.716852 0.746939 P\n0.522305 0.319562 0.540597 P\n0.477308 0.819486 0.390760 P\n0.913688 0.215493 0.287109 P\n0.915206 0.216617 0.784789 P\n0.521514 0.320233 0.039437 P\n0.518149 0.963058 0.925293 O\n0.393565 0.320796 0.640551 O\n0.083603 0.565323 0.417123 O\n0.080885 0.566076 0.915045 O\n0.246382 0.847902 0.778855 O\n0.753841 0.348101 0.623254 O\n0.917599 0.066079 0.767651 O\n0.606755 0.821721 0.787599 O\n0.508980 0.154014 0.547081 O\n0.481491 0.463338 0.861491 O\n0.482094 0.462259 0.361935 O\n0.148924 0.676666 0.136119 O\n0.146493 0.676449 0.634823 O\n0.116688 0.306668 0.781481 O\n0.115172 0.303895 0.283348 O\n0.883717 0.806706 0.661787 O\n0.884365 0.803792 0.162628 O\n0.852795 0.177243 0.937104 O\n0.852128 0.175818 0.438877 O\n0.518415 0.962377 0.425918 O\n0.491201 0.653647 0.549455 O\n0.494627 0.655709 0.048533 O\n0.393933 0.321722 0.140841 O\n0.246515 0.847815 0.278826 O\n0.753234 0.347614 0.123336 O\n0.917648 0.065219 0.268681 O\n0.605931 0.820599 0.288808 O\n0.504863 0.155487 0.045491 O\n","nsites":44,"nelements":5,"elements":["Li","V","Cr","P","O"],"chemical_system":"Cr-Li-O-P-V","density":2.904628936176718,"density_atomic":0.08281056185324695,"volume":531.3331900582291,"volume_molar":7.272189229523836,"formula_full":"Li4 V2 Cr2 P8 O28","formula_reduced":"Li2VCr(P2O7)2","formula_anonymous":"ABC2D4E14","energy":-171.24545394,"energy_per_atom":-3.8919421350000003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.33945394,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.2277285,"is_theoretical":true,"updated_at":"2021-11-28T01:34:51.281000Z","spacegroup":1},{"id":"mp-758153","created_at":"2022-09-04T14:40:21.366503Z","structure_string":"Li4 Cr3 Co3 Sb2 O16\n1.0\n2.939786 5.062860 0.000000\n-2.939786 5.062860 0.000000\n0.000000 0.115847 9.544224\nLi Cr Co Sb O\n4 3 3 2 16\ndirect\n0.329721 0.329721 0.101312 Li\n0.005751 0.005751 0.008166 Li\n0.004831 0.004831 0.505637 Li\n0.663913 0.663913 0.597040 Li\n0.660734 0.169662 0.785417 Cr\n0.169662 0.660734 0.785417 Cr\n0.830563 0.830563 0.285754 Cr\n0.171484 0.171484 0.784909 Co\n0.829985 0.341449 0.285471 Co\n0.341449 0.829985 0.285471 Co\n0.332972 0.332972 0.509079 Sb\n0.665288 0.665288 0.013217 Sb\n0.675852 0.164804 0.403959 O\n0.481948 0.481948 0.654734 O\n0.329340 0.329340 0.892647 O\n0.005982 0.005982 0.691721 O\n0.006560 0.006560 0.194061 O\n0.164804 0.675852 0.403959 O\n0.475689 0.033736 0.658649 O\n0.033736 0.475689 0.658649 O\n0.836677 0.836677 0.907799 O\n0.163912 0.163912 0.398139 O\n0.963535 0.511451 0.159714 O\n0.511451 0.963535 0.159714 O\n0.661056 0.661056 0.388735 O\n0.837820 0.328953 0.903185 O\n0.516609 0.516609 0.166363 O\n0.328953 0.837820 0.903185 O\n","nsites":28,"nelements":5,"elements":["Li","Cr","Co","Sb","O"],"chemical_system":"Co-Cr-Li-O-Sb","density":5.026859492169243,"density_atomic":0.09855434512923804,"volume":284.10720971543714,"volume_molar":6.11047717084715,"formula_full":"Li4 Cr3 Co3 Sb2 O16","formula_reduced":"Li4Cr3Co3(SbO8)2","formula_anonymous":"A2B3C3D4E16","energy":-201.75226423,"energy_per_atom":-7.205438008214286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-179.84926423,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.9999385,"is_theoretical":true,"updated_at":"2021-11-28T01:34:50.883000Z","spacegroup":8},{"id":"mp-15096","created_at":"2022-09-04T14:40:21.228822Z","structure_string":"Sr4 Mo20 O32\n1.0\n9.548277 0.000000 0.000000\n0.000000 8.409403 0.000000\n0.000000 3.653743 10.174020\nSr Mo O\n4 20 32\ndirect\n0.478011 0.716085 0.532096 Sr\n0.978011 0.283915 0.967904 Sr\n0.521989 0.283915 0.467904 Sr\n0.021989 0.716085 0.032096 Sr\n0.366685 0.589716 0.190823 Mo\n0.860737 0.792527 0.727474 Mo\n0.639263 0.792527 0.227474 Mo\n0.139263 0.207473 0.272526 Mo\n0.370143 0.805604 0.864932 Mo\n0.870143 0.194396 0.635068 Mo\n0.629857 0.194396 0.135068 Mo\n0.129857 0.805604 0.364932 Mo\n0.360737 0.207473 0.772526 Mo\n0.866685 0.410284 0.309177 Mo\n0.633315 0.410284 0.809177 Mo\n0.133315 0.589716 0.690823 Mo\n0.357033 0.395602 0.981344 Mo\n0.857033 0.604398 0.518656 Mo\n0.642967 0.604398 0.018656 Mo\n0.142967 0.395602 0.481344 Mo\n0.144569 0.992462 0.586864 Mo\n0.644569 0.007538 0.913136 Mo\n0.855431 0.007538 0.413136 Mo\n0.355431 0.992462 0.086864 Mo\n0.500908 0.589559 0.864220 O\n0.000908 0.410441 0.635780 O\n0.499092 0.410441 0.135780 O\n0.999092 0.589559 0.364220 O\n0.266746 0.374410 0.322713 O\n0.766746 0.625590 0.177287 O\n0.733254 0.625590 0.677287 O\n0.233254 0.374410 0.822713 O\n0.270636 0.788703 0.695431 O\n0.770636 0.211297 0.804569 O\n0.729364 0.211297 0.304569 O\n0.229364 0.788703 0.195431 O\n0.269520 0.194133 0.600205 O\n0.769520 0.805867 0.899795 O\n0.730480 0.805867 0.399795 O\n0.230480 0.194133 0.100205 O\n0.241735 0.603528 0.509920 O\n0.741735 0.396472 0.990080 O\n0.758265 0.396472 0.490080 O\n0.258265 0.603528 0.009920 O\n0.496320 0.023360 0.759454 O\n0.996320 0.976640 0.740546 O\n0.503680 0.976640 0.240546 O\n0.003680 0.023360 0.259454 O\n0.989756 0.609150 0.836736 O\n0.489756 0.390850 0.663264 O\n0.010244 0.390850 0.163264 O\n0.510244 0.609150 0.336736 O\n0.244137 0.002162 0.406422 O\n0.755863 0.997838 0.593578 O\n0.744137 0.997838 0.093578 O\n0.255863 0.002162 0.906422 O\n","nsites":56,"nelements":3,"elements":["Sr","Mo","O"],"chemical_system":"Mo-O-Sr","density":5.653378333025925,"density_atomic":0.06854965365908056,"volume":816.9260822017568,"volume_molar":8.785078317025555,"formula_full":"Sr4 Mo20 O32","formula_reduced":"SrMo5O8","formula_anonymous":"AB5C8","energy":-480.90215217,"energy_per_atom":-8.587538431607143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-394.87815217,"band_gap":1.3900000000000006,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":55.9973061,"is_theoretical":false,"updated_at":"2021-11-28T01:34:54.131000Z","spacegroup":14}]}