{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=12191","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=12189","results":[{"id":"mp-1179472","created_at":"2022-09-04T14:41:12.715563Z","structure_string":"Th4 N16 O64\n1.0\n17.376680 0.000000 0.000000\n0.000000 8.023079 0.000000\n0.000000 6.407085 10.633304\nTh N O\n4 16 64\ndirect\n0.623076 0.048846 0.262849 Th\n0.876924 0.048846 0.762849 Th\n0.376924 0.951154 0.737151 Th\n0.123076 0.951154 0.237151 Th\n0.724156 0.344528 0.254234 N\n0.775844 0.344528 0.754234 N\n0.275844 0.655472 0.745766 N\n0.224156 0.655472 0.245766 N\n0.517664 0.359253 0.221139 N\n0.982336 0.359253 0.721139 N\n0.482336 0.640747 0.778861 N\n0.017664 0.640747 0.278861 N\n0.474011 0.875261 0.260377 N\n0.025989 0.875261 0.760377 N\n0.525989 0.124739 0.739623 N\n0.974011 0.124739 0.239623 N\n0.774612 0.854791 0.307457 N\n0.725388 0.854791 0.807457 N\n0.225388 0.145209 0.692543 N\n0.274612 0.145209 0.192543 N\n0.619721 0.870607 0.046492 O\n0.880279 0.870607 0.546492 O\n0.380279 0.129393 0.953508 O\n0.119721 0.129393 0.453508 O\n0.626744 0.656135 0.538481 O\n0.873256 0.656135 0.038481 O\n0.373256 0.343865 0.461519 O\n0.126744 0.343865 0.961519 O\n0.641154 0.549442 0.496792 O\n0.858846 0.549442 0.996792 O\n0.358846 0.450558 0.503208 O\n0.141154 0.450558 0.003208 O\n0.630877 0.040532 0.017371 O\n0.869123 0.040532 0.517371 O\n0.369123 0.959468 0.982629 O\n0.130877 0.959468 0.482629 O\n0.725467 0.298870 0.167770 O\n0.774533 0.298870 0.667770 O\n0.274533 0.701130 0.832230 O\n0.225467 0.701130 0.332230 O\n0.674020 0.245718 0.344045 O\n0.825980 0.245718 0.844045 O\n0.325980 0.754282 0.655955 O\n0.174020 0.754282 0.155955 O\n0.765088 0.467963 0.252578 O\n0.734912 0.467963 0.752578 O\n0.234912 0.532037 0.747422 O\n0.265088 0.532037 0.247422 O\n0.566553 0.373009 0.136781 O\n0.933447 0.373009 0.636781 O\n0.433447 0.626991 0.863219 O\n0.066553 0.626991 0.363219 O\n0.515722 0.188266 0.323454 O\n0.984278 0.188266 0.823454 O\n0.484278 0.811734 0.676546 O\n0.015722 0.811734 0.176546 O\n0.478572 0.495073 0.205370 O\n0.021428 0.495073 0.705370 O\n0.521428 0.504927 0.794630 O\n0.978572 0.504927 0.294630 O\n0.503250 0.021170 0.159475 O\n0.996750 0.021170 0.659475 O\n0.496750 0.978830 0.840525 O\n0.003250 0.978830 0.340525 O\n0.520229 0.800671 0.357604 O\n0.979771 0.800671 0.857604 O\n0.479771 0.199329 0.642396 O\n0.020229 0.199329 0.142396 O\n0.409716 0.813108 0.265223 O\n0.090284 0.813108 0.765223 O\n0.590284 0.186892 0.734777 O\n0.909716 0.186892 0.234777 O\n0.728357 0.891231 0.214052 O\n0.771643 0.891231 0.714052 O\n0.271643 0.108769 0.785948 O\n0.228357 0.108769 0.285948 O\n0.745914 0.902725 0.384287 O\n0.754086 0.902725 0.884287 O\n0.254086 0.097275 0.615713 O\n0.245914 0.097275 0.115713 O\n0.837807 0.784215 0.319541 O\n0.662193 0.784215 0.819541 O\n0.162193 0.215785 0.680459 O\n0.337807 0.215785 0.180459 O\n","nsites":84,"nelements":3,"elements":["Th","N","O"],"chemical_system":"N-O-Th","density":2.4376761036488634,"density_atomic":0.05666347223611681,"volume":1482.4365095377816,"volume_molar":10.627906343094766,"formula_full":"Th4 N16 O64","formula_reduced":"Th(NO4)4","formula_anonymous":"AB4C16","energy":-538.91863355,"energy_per_atom":-6.415698018452381,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-528.61463355,"band_gap":0.0496999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.013527,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.096000Z","spacegroup":14},{"id":"mp-1047617","created_at":"2022-09-04T14:41:12.720185Z","structure_string":"Co2 W4 O16\n1.0\n5.870337 0.000000 0.000000\n0.000000 5.011786 0.000000\n0.000000 4.503469 9.225419\nCo W O\n2 4 16\ndirect\n0.343430 0.500000 0.750000 Co\n0.656570 0.500000 0.250000 Co\n0.169637 0.267504 0.490831 W\n0.169637 0.732496 0.009169 W\n0.830363 0.732496 0.509169 W\n0.830363 0.267504 0.990831 W\n0.339506 0.705797 0.855619 O\n0.339506 0.294203 0.644381 O\n0.660494 0.294203 0.144381 O\n0.660494 0.705797 0.355619 O\n0.895351 0.178170 0.393382 O\n0.895351 0.821830 0.106618 O\n0.104649 0.821830 0.606618 O\n0.104649 0.178170 0.893382 O\n0.595378 0.247360 0.882061 O\n0.595378 0.752640 0.617939 O\n0.404622 0.752640 0.117939 O\n0.404622 0.247360 0.382061 O\n0.891808 0.667970 0.887419 O\n0.108192 0.332030 0.112581 O\n0.891808 0.332030 0.612581 O\n0.108192 0.667970 0.387419 O\n","nsites":22,"nelements":3,"elements":["Co","W","O"],"chemical_system":"Co-O-W","density":6.7861566401187075,"density_atomic":0.08105522739582582,"volume":271.41987885081124,"volume_molar":7.429675979553329,"formula_full":"Co2 W4 O16","formula_reduced":"Co(WO4)2","formula_anonymous":"AB2C8","energy":-182.33558394,"energy_per_atom":-8.287981088181818,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-150.31558394,"band_gap":0.1016999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9997169,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.778000Z","spacegroup":13},{"id":"mp-1219018","created_at":"2022-09-04T14:41:12.872826Z","structure_string":"Sm1 Y1 Co10\n1.0\n0.000000 0.000000 -3.930316\n-2.455193 -4.252518 0.000000\n-7.375617 4.258314 0.000000\nSm Y Co\n1 1 10\ndirect\n0.000000 0.999986 0.000000 Sm\n0.000000 0.499978 0.500000 Y\n0.000000 0.999961 0.333907 Co\n0.000000 0.499960 0.832444 Co\n0.000000 0.499960 0.167556 Co\n0.000000 0.999961 0.666093 Co\n0.500000 0.000008 0.500000 Co\n0.500000 0.500006 0.000000 Co\n0.500000 0.251048 0.251487 Co\n0.500000 0.748942 0.748521 Co\n0.500000 0.748942 0.251479 Co\n0.500000 0.251048 0.748513 Co\n","nsites":12,"nelements":3,"elements":["Sm","Y","Co"],"chemical_system":"Co-Sm-Y","density":8.371092404264681,"density_atomic":0.07300800961460917,"volume":164.36552733521935,"volume_molar":8.248602847535988,"formula_full":"Sm1 Y1 Co10","formula_reduced":"SmYCo10","formula_anonymous":"ABC10","energy":-83.26389541,"energy_per_atom":-6.938657950833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.26389541,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0647815,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.039000Z","spacegroup":47},{"id":"mp-1245913","created_at":"2022-09-04T14:41:12.887119Z","structure_string":"Mg1 In2 N2\n1.0\n3.320067 -0.011653 -0.367285\n-1.670125 2.892742 0.000000\n-0.797853 -0.460641 7.953828\nMg In N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.877545 0.438773 0.317020 In\n0.122455 0.561227 0.682980 In\n0.554653 0.277326 0.831830 N\n0.445347 0.722674 0.168170 N\n","nsites":5,"nelements":3,"elements":["Mg","In","N"],"chemical_system":"In-Mg-N","density":6.233948738374493,"density_atomic":0.06657409284283065,"volume":75.10429037019088,"volume_molar":9.04577216578404,"formula_full":"Mg1 In2 N2","formula_reduced":"Mg(InN)2","formula_anonymous":"AB2C2","energy":-25.27295649,"energy_per_atom":-5.054591298,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.55095649,"band_gap":0.9213000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.1e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:14.170000Z","spacegroup":166},{"id":"mp-30809","created_at":"2022-09-04T14:41:12.732746Z","structure_string":"Th14 Ni6\n1.0\n4.913184 -8.509885 0.000000\n4.913184 8.509885 0.000000\n0.000000 0.000000 6.214559\nTh Ni\n14 6\ndirect\n0.333333 0.666667 0.070347 Th\n0.666667 0.333333 0.570347 Th\n0.126960 0.873040 0.241014 Th\n0.253919 0.126960 0.741014 Th\n0.873040 0.746081 0.741014 Th\n0.126960 0.253919 0.241014 Th\n0.746081 0.873040 0.241014 Th\n0.873040 0.126960 0.741014 Th\n0.544335 0.455665 0.038614 Th\n0.088670 0.544335 0.538614 Th\n0.455665 0.911330 0.538614 Th\n0.544335 0.088670 0.038614 Th\n0.911330 0.455665 0.038614 Th\n0.455665 0.544335 0.538614 Th\n0.813558 0.186442 0.306924 Ni\n0.627115 0.813558 0.806924 Ni\n0.186442 0.372885 0.806924 Ni\n0.813558 0.627115 0.306924 Ni\n0.372885 0.186442 0.306924 Ni\n0.186442 0.813558 0.806924 Ni\n","nsites":20,"nelements":2,"elements":["Th","Ni"],"chemical_system":"Ni-Th","density":11.505571339651619,"density_atomic":0.03848601674023658,"volume":519.6692641639447,"volume_molar":15.647607287204494,"formula_full":"Th14 Ni6","formula_reduced":"Th7Ni3","formula_anonymous":"A3B7","energy":-144.03656432,"energy_per_atom":-7.201828216,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.03656432,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0169479,"is_theoretical":false,"updated_at":"2021-11-28T01:35:17.349000Z","spacegroup":186},{"id":"mp-865273","created_at":"2022-09-04T14:41:12.733451Z","structure_string":"Tm1 U1 Tc2\n1.0\n0.000000 3.380583 3.380583\n3.380583 0.000000 3.380583\n3.380583 3.380583 0.000000\nTm U Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 U\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n","nsites":4,"nelements":3,"elements":["Tm","U","Tc"],"chemical_system":"Tc-Tm-U","density":12.95791246239798,"density_atomic":0.051767260877438645,"volume":77.26891344454525,"volume_molar":11.633106828382699,"formula_full":"Tm1 U1 Tc2","formula_reduced":"TmUTc2","formula_anonymous":"ABC2","energy":-36.61301742,"energy_per_atom":-9.153254355,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.61301742,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.8084175,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.532000Z","spacegroup":225},{"id":"mp-770519","created_at":"2022-09-04T14:41:12.735086Z","structure_string":"Li8 Al4 V4 O16\n1.0\n4.992656 0.000000 0.000000\n0.000000 6.443506 0.000000\n0.000000 0.000000 11.079459\nLi Al V O\n8 4 4 16\ndirect\n0.753209 0.003410 0.169005 Li\n0.754508 0.248583 0.912082 Li\n0.754508 0.251417 0.412082 Li\n0.753209 0.496590 0.669005 Li\n0.253209 0.503410 0.330995 Li\n0.254508 0.748583 0.587918 Li\n0.254508 0.751417 0.087918 Li\n0.253209 0.996590 0.830995 Li\n0.260709 0.005239 0.332011 Al\n0.260709 0.494761 0.832011 Al\n0.760709 0.505239 0.167989 Al\n0.760709 0.994761 0.667989 Al\n0.253694 0.245550 0.582608 V\n0.253694 0.254450 0.082608 V\n0.753694 0.745550 0.917392 V\n0.753694 0.754450 0.417392 V\n0.118855 0.004036 0.664536 O\n0.157038 0.012615 0.177651 O\n0.158832 0.266312 0.912925 O\n0.646279 0.224531 0.592582 O\n0.646279 0.275469 0.092582 O\n0.158832 0.233688 0.412925 O\n0.157038 0.487385 0.677651 O\n0.118855 0.495964 0.164536 O\n0.618855 0.504036 0.835464 O\n0.657038 0.512615 0.322349 O\n0.658832 0.766312 0.587075 O\n0.146279 0.724531 0.907418 O\n0.146279 0.775469 0.407418 O\n0.658832 0.733688 0.087075 O\n0.657038 0.987385 0.822349 O\n0.618855 0.995964 0.335464 O\n","nsites":32,"nelements":4,"elements":["Li","Al","V","O"],"chemical_system":"Al-Li-O-V","density":2.903430679611401,"density_atomic":0.08977957448052985,"volume":356.4285104396403,"volume_molar":6.707695814827011,"formula_full":"Li8 Al4 V4 O16","formula_reduced":"Li2AlVO4","formula_anonymous":"ABC2D4","energy":-232.08591319,"energy_per_atom":-7.2526847871875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-214.29391319,"band_gap":1.9215000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.002717,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.425000Z","spacegroup":33},{"id":"mp-734377","created_at":"2022-09-04T14:41:12.737220Z","structure_string":"K4 Cd4 P12 H32 O52\n1.0\n-7.543504 0.000000 0.000000\n1.541645 11.406697 0.000000\n-0.125781 -1.981340 -14.464184\nK Cd P H O\n4 4 12 32 52\ndirect\n0.973136 0.317775 0.692571 K\n0.026864 0.682225 0.307429 K\n0.497307 0.338830 0.057869 K\n0.502693 0.661170 0.942131 K\n0.745492 0.752248 0.738176 Cd\n0.254508 0.247752 0.261824 Cd\n0.373097 0.142227 0.737898 Cd\n0.626903 0.857773 0.262102 Cd\n0.998154 0.872415 0.105105 P\n0.001846 0.127585 0.894895 P\n0.014957 0.714172 0.926902 P\n0.985043 0.285828 0.073098 P\n0.142454 0.911459 0.821593 P\n0.857546 0.088541 0.178407 P\n0.508071 0.623832 0.388021 P\n0.491929 0.376168 0.611979 P\n0.462592 0.783591 0.562852 P\n0.537408 0.216409 0.437148 P\n0.664742 0.408885 0.325075 P\n0.335258 0.591115 0.674925 P\n0.818049 0.500174 0.851226 H\n0.181951 0.499826 0.148774 H\n0.848052 0.408728 0.919220 H\n0.151948 0.591272 0.080780 H\n0.641855 0.183394 0.875584 H\n0.358145 0.816606 0.124416 H\n0.382409 0.690523 0.148037 H\n0.617591 0.309477 0.851963 H\n0.493195 0.099115 0.165810 H\n0.506805 0.900885 0.834190 H\n0.692875 0.952405 0.877955 H\n0.307125 0.047595 0.122045 H\n0.843137 0.890705 0.440456 H\n0.156863 0.109295 0.559544 H\n0.733424 0.003217 0.433792 H\n0.266576 0.996783 0.566208 H\n0.792230 0.547646 0.613580 H\n0.207770 0.452354 0.386420 H\n0.981972 0.603878 0.652300 H\n0.018028 0.396122 0.347700 H\n0.911510 0.182344 0.492228 H\n0.088490 0.817656 0.507772 H\n0.916465 0.735675 0.530594 H\n0.083535 0.264325 0.469406 H\n0.368833 0.999871 0.345020 H\n0.631167 0.000129 0.654980 H\n0.632514 0.105140 0.595976 H\n0.367486 0.894860 0.404024 H\n0.794592 0.520071 0.087143 H\n0.205408 0.479929 0.912857 H\n0.747146 0.647714 0.115372 H\n0.252854 0.352286 0.884628 H\n0.801658 0.103257 0.892440 O\n0.198342 0.896743 0.107560 O\n0.103195 0.188664 0.820934 O\n0.896805 0.811336 0.179066 O\n0.072918 0.199322 0.993909 O\n0.927082 0.800678 0.006091 O\n0.878623 0.367972 0.033383 O\n0.121377 0.632028 0.966617 O\n0.861172 0.664237 0.861265 O\n0.138828 0.335763 0.138735 O\n0.162365 0.804020 0.879417 O\n0.837635 0.195980 0.120583 O\n0.670806 0.042200 0.206577 O\n0.329194 0.957800 0.793423 O\n0.001563 0.878343 0.747774 O\n0.998437 0.121657 0.252226 O\n0.079982 0.005721 0.904125 O\n0.920018 0.994279 0.095875 O\n0.308544 0.596753 0.378879 O\n0.691456 0.403247 0.621121 O\n0.618432 0.681165 0.315761 O\n0.381568 0.318835 0.684239 O\n0.436150 0.300103 0.511655 O\n0.563850 0.699897 0.488345 O\n0.647379 0.139742 0.482823 O\n0.352621 0.860258 0.517177 O\n0.605874 0.843375 0.631496 O\n0.394126 0.156625 0.368504 O\n0.319993 0.693871 0.610704 O\n0.680007 0.306129 0.389296 O\n0.476700 0.631457 0.749410 O\n0.523300 0.368543 0.250590 O\n0.148339 0.550227 0.702189 O\n0.851661 0.449773 0.297811 O\n0.592604 0.505708 0.402929 O\n0.407396 0.494292 0.597071 O\n0.806689 0.414716 0.856086 O\n0.193311 0.585284 0.143914 O\n0.546670 0.234025 0.866044 O\n0.453330 0.765975 0.133956 O\n0.382693 0.124292 0.142432 O\n0.617307 0.875708 0.857568 O\n0.216504 0.064364 0.601159 O\n0.783496 0.935636 0.398841 O\n0.129341 0.374539 0.375101 O\n0.870659 0.625461 0.624899 O\n0.964719 0.790157 0.487110 O\n0.035281 0.209843 0.512890 O\n0.370181 0.912719 0.339304 O\n0.629819 0.087281 0.660696 O\n0.704292 0.571868 0.078669 O\n0.295708 0.428132 0.921331 O\n","nsites":104,"nelements":5,"elements":["K","Cd","P","H","O"],"chemical_system":"Cd-H-K-O-P","density":2.457530068286492,"density_atomic":0.08356152765918955,"volume":1244.5918943005677,"volume_molar":7.206834207916404,"formula_full":"K4 Cd4 P12 H32 O52","formula_reduced":"KCdP3H8O13","formula_anonymous":"ABC3D8E13","energy":-641.47933464,"energy_per_atom":-6.168070525384616,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-605.75533464,"band_gap":4.4116,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":5.6e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:16.172000Z","spacegroup":2},{"id":"mp-556892","created_at":"2022-09-04T14:41:12.741061Z","structure_string":"In4 Bi4 O12\n1.0\n5.710462 0.000000 0.000000\n0.000000 6.054819 0.000000\n0.000000 0.000000 8.418455\nIn Bi O\n4 4 12\ndirect\n0.999510 0.500582 0.515197 In\n0.000490 0.499418 0.015197 In\n0.499510 0.999418 0.015197 In\n0.500490 0.000582 0.515197 In\n0.998322 0.938831 0.793027 Bi\n0.501678 0.438831 0.793027 Bi\n0.498322 0.561169 0.293027 Bi\n0.001678 0.061169 0.293027 Bi\n0.802218 0.792935 0.434919 O\n0.116294 0.449127 0.257613 O\n0.883706 0.550873 0.757613 O\n0.159167 0.161888 0.528943 O\n0.659167 0.338112 0.028943 O\n0.340833 0.661888 0.528943 O\n0.840833 0.838112 0.028943 O\n0.616294 0.050873 0.757613 O\n0.197782 0.207065 0.934919 O\n0.697782 0.292935 0.434919 O\n0.383706 0.949127 0.257613 O\n0.302218 0.707065 0.934919 O\n","nsites":20,"nelements":3,"elements":["In","Bi","O"],"chemical_system":"Bi-In-O","density":8.484176543805171,"density_atomic":0.06871082925064627,"volume":291.07493270155646,"volume_molar":8.764471082181501,"formula_full":"In4 Bi4 O12","formula_reduced":"InBiO3","formula_anonymous":"ABC3","energy":-121.75144876000002,"energy_per_atom":-6.0875724380000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.50744876,"band_gap":2.7352000000000007,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003956,"is_theoretical":false,"updated_at":"2021-11-28T01:35:15.209000Z","spacegroup":33},{"id":"mp-1064719","created_at":"2022-09-04T14:41:12.758936Z","structure_string":"La2 Ni2\n1.0\n1.921787 -5.398972 0.000000\n1.921787 5.398972 0.000000\n0.000000 0.000000 4.414108\nLa Ni\n2 2\ndirect\n0.864489 0.135511 0.750000 La\n0.135511 0.864489 0.250000 La\n0.572983 0.427017 0.750000 Ni\n0.427017 0.572983 0.250000 Ni\n","nsites":4,"nelements":2,"elements":["La","Ni"],"chemical_system":"La-Ni","density":7.164308405958671,"density_atomic":0.04366874535633139,"volume":91.59869300939403,"volume_molar":13.79050556836497,"formula_full":"La2 Ni2","formula_reduced":"LaNi","formula_anonymous":"AB","energy":-22.73982354,"energy_per_atom":-5.684955885,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.73982354,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011285,"is_theoretical":false,"updated_at":"2021-11-28T01:35:10.781000Z","spacegroup":63},{"id":"mp-1221807","created_at":"2022-09-04T14:41:12.763319Z","structure_string":"Mn3 Al2 V3\n1.0\n6.951522 -2.098425 0.000000\n6.951522 2.098425 0.000000\n6.318080 0.000000 3.578954\nMn Al V\n3 2 3\ndirect\n0.249775 0.249775 0.249775 Mn\n0.998593 0.998593 0.998593 Mn\n0.501372 0.501372 0.501372 Mn\n0.125847 0.125847 0.125847 Al\n0.624291 0.624291 0.624291 Al\n0.374657 0.374657 0.374657 V\n0.875341 0.875341 0.875341 V\n0.750388 0.750388 0.750388 V\n","nsites":8,"nelements":3,"elements":["Mn","Al","V"],"chemical_system":"Al-Mn-V","density":5.909725903314819,"density_atomic":0.07661794892037391,"volume":104.41417595652544,"volume_molar":7.859960811870048,"formula_full":"Mn3 Al2 V3","formula_reduced":"Mn3Al2V3","formula_anonymous":"A2B3C3","energy":-64.13976506,"energy_per_atom":-8.0174706325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.13976506,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9312234,"is_theoretical":true,"updated_at":"2021-11-28T01:35:17.994000Z","spacegroup":160},{"id":"mp-1098699","created_at":"2022-09-04T14:41:12.766870Z","structure_string":"La2 Mg1 Hg1\n1.0\n-6.203273 6.381342 8.585471\n6.203273 -6.381342 8.585471\n6.203273 6.381342 -8.585471\nLa Mg Hg\n2 1 1\ndirect\n0.742616 0.000000 0.742616 La\n0.257384 0.000000 0.257384 La\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["La","Mg","Hg"],"chemical_system":"Hg-La-Mg","density":0.6140533178237924,"density_atomic":0.002942408450839323,"volume":1359.4305708505556,"volume_molar":204.66705627772996,"formula_full":"La2 Mg1 Hg1","formula_reduced":"La2MgHg","formula_anonymous":"ABC2","energy":-3.30995135,"energy_per_atom":-0.8274878375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.30995135,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9284836,"is_theoretical":true,"updated_at":"2021-11-28T01:35:18.215000Z","spacegroup":71}]}