{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=12149","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=12147","results":[{"id":"mp-1046472","created_at":"2022-09-04T14:48:03.597073Z","structure_string":"Sr2 P4 W2 O16\n1.0\n5.659456 0.004924 -1.050828\n-1.521051 6.531145 -2.475104\n0.018015 -0.103492 9.334321\nSr P W O\n2 4 2 16\ndirect\n0.246676 0.751633 0.021215 Sr\n0.753324 0.248367 0.978785 Sr\n0.387497 0.446551 0.231828 P\n0.612503 0.553449 0.768172 P\n0.844651 0.038023 0.303749 P\n0.155349 0.961977 0.696251 P\n0.664330 0.844368 0.563826 W\n0.335670 0.155632 0.436174 W\n0.835559 0.554330 0.884658 O\n0.619771 0.486100 0.182876 O\n0.644715 0.766964 0.747682 O\n0.955416 0.095912 0.705776 O\n0.380229 0.513900 0.817124 O\n0.993413 0.749339 0.575714 O\n0.006587 0.250661 0.424286 O\n0.285613 0.984289 0.858786 O\n0.355285 0.233036 0.252318 O\n0.714387 0.015711 0.141214 O\n0.164441 0.445670 0.115342 O\n0.402723 0.614120 0.401271 O\n0.597277 0.385880 0.598729 O\n0.640966 0.976121 0.387959 O\n0.044584 0.904088 0.294224 O\n0.359034 0.023879 0.612041 O\n","nsites":24,"nelements":4,"elements":["Sr","P","W","O"],"chemical_system":"O-P-Sr-W","density":4.459702136031305,"density_atomic":0.06984862279261544,"volume":343.60018910118487,"volume_molar":8.621702933041473,"formula_full":"Sr2 P4 W2 O16","formula_reduced":"SrP2WO8","formula_anonymous":"ABC2D8","energy":-194.66881255,"energy_per_atom":-8.111200522916667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-174.80081255,"band_gap":3.1252000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9997691,"is_theoretical":true,"updated_at":"2021-11-28T01:38:23.994000Z","spacegroup":2},{"id":"mp-1209616","created_at":"2022-09-04T14:48:03.338520Z","structure_string":"Rb8 La4 F20\n1.0\n7.092921 0.000000 0.000000\n0.000000 7.884267 0.000000\n0.000000 0.000000 11.669976\nRb La F\n8 4 20\ndirect\n0.533104 0.023764 0.170555 Rb\n0.466896 0.523764 0.829445 Rb\n0.966896 0.023764 0.670555 Rb\n0.033104 0.523764 0.329445 Rb\n0.029036 0.017363 0.328754 Rb\n0.970964 0.517363 0.671246 Rb\n0.470964 0.017363 0.828754 Rb\n0.529036 0.517363 0.171246 Rb\n0.436229 0.268992 0.501601 La\n0.563771 0.768992 0.498399 La\n0.063771 0.268992 0.001601 La\n0.936229 0.768992 0.998399 La\n0.146179 0.986047 0.076210 F\n0.853821 0.486047 0.923790 F\n0.353821 0.986047 0.576210 F\n0.646179 0.486047 0.423790 F\n0.394906 0.269231 0.010924 F\n0.605094 0.769231 0.989076 F\n0.105094 0.269231 0.510924 F\n0.894906 0.769231 0.489076 F\n0.145088 0.551685 0.077259 F\n0.854912 0.051685 0.922741 F\n0.354912 0.551685 0.577259 F\n0.645088 0.051685 0.422741 F\n0.336940 0.268204 0.307797 F\n0.663060 0.768204 0.692203 F\n0.163060 0.268204 0.807797 F\n0.836940 0.768204 0.192203 F\n0.370726 0.761716 0.335781 F\n0.629274 0.261716 0.664219 F\n0.129274 0.761716 0.835781 F\n0.870726 0.261716 0.164219 F\n","nsites":32,"nelements":3,"elements":["Rb","La","F"],"chemical_system":"F-La-Rb","density":4.120298489225222,"density_atomic":0.04903357624066228,"volume":652.6140341659034,"volume_molar":12.281667424057874,"formula_full":"Rb8 La4 F20","formula_reduced":"Rb2LaF5","formula_anonymous":"AB2C5","energy":-185.4263143,"energy_per_atom":-5.794572321875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-176.1863143,"band_gap":6.3647,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0021519,"is_theoretical":true,"updated_at":"2021-11-28T01:38:23.552000Z","spacegroup":33},{"id":"mp-634113","created_at":"2022-09-04T14:48:03.379124Z","structure_string":"Cd4 H4 S2 O12\n1.0\n3.958901 5.905612 0.000000\n-3.958901 5.905612 0.000000\n0.000000 2.977630 5.912123\nCd H S O\n4 4 2 12\ndirect\n0.154006 0.347017 0.310284 Cd\n0.652983 0.845994 0.189716 Cd\n0.845994 0.652983 0.689716 Cd\n0.347017 0.154006 0.810284 Cd\n0.235980 0.956935 0.291127 H\n0.043065 0.764020 0.208873 H\n0.764020 0.043065 0.708873 H\n0.956935 0.235980 0.791127 H\n0.688637 0.311363 0.250000 S\n0.311363 0.688637 0.750000 S\n0.685500 0.529540 0.095455 O\n0.470460 0.314500 0.404545 O\n0.314500 0.470460 0.904545 O\n0.529540 0.685500 0.595455 O\n0.836367 0.245857 0.390709 O\n0.754143 0.163633 0.109291 O\n0.163633 0.754143 0.609291 O\n0.245857 0.836367 0.890709 O\n0.320636 0.054888 0.192735 O\n0.945112 0.679364 0.307265 O\n0.679364 0.945112 0.807265 O\n0.054888 0.320636 0.692735 O\n","nsites":22,"nelements":4,"elements":["Cd","H","S","O"],"chemical_system":"Cd-H-O-S","density":4.26354845473296,"density_atomic":0.0795810513743248,"volume":276.4477173908996,"volume_molar":7.567304849584988,"formula_full":"Cd4 H4 S2 O12","formula_reduced":"Cd2H2SO6","formula_anonymous":"AB2C2D6","energy":-120.86072412,"energy_per_atom":-5.493669278181819,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-112.61672412,"band_gap":2.616,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:38:25.363000Z","spacegroup":15},{"id":"mp-29816","created_at":"2022-09-04T14:48:03.422482Z","structure_string":"Ag8 Hg4 O8\n1.0\n6.388982 0.000000 0.000000\n0.000000 6.388982 0.000000\n0.000000 0.000000 8.476899\nAg Hg O\n8 4 8\ndirect\n0.498645 0.744819 0.627699 Ag\n0.998645 0.755181 0.622301 Ag\n0.244819 0.001355 0.877699 Ag\n0.755181 0.998645 0.377699 Ag\n0.255181 0.501355 0.872301 Ag\n0.001355 0.244819 0.122301 Ag\n0.501355 0.255181 0.127699 Ag\n0.744819 0.498645 0.372301 Ag\n0.217843 0.217843 0.500000 Hg\n0.282157 0.717843 0.250000 Hg\n0.717843 0.282157 0.750000 Hg\n0.782157 0.782157 0.000000 Hg\n0.247776 0.626896 0.485426 O\n0.752224 0.373104 0.985426 O\n0.626896 0.247776 0.514574 O\n0.126896 0.252224 0.735426 O\n0.747776 0.873104 0.764574 O\n0.373104 0.752224 0.014574 O\n0.873104 0.747776 0.235426 O\n0.252224 0.126896 0.264574 O\n","nsites":20,"nelements":3,"elements":["Ag","Hg","O"],"chemical_system":"Ag-Hg-O","density":8.606011099164833,"density_atomic":0.05780024214476802,"volume":346.01931164764795,"volume_molar":10.418885002102217,"formula_full":"Ag8 Hg4 O8","formula_reduced":"Ag2HgO2","formula_anonymous":"AB2C2","energy":-72.65282191,"energy_per_atom":-3.6326410955,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-67.15682191,"band_gap":0.4102999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":9.2e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:38:22.338000Z","spacegroup":96},{"id":"mp-1202933","created_at":"2022-09-04T14:48:03.429249Z","structure_string":"Sr3 Ta7 Si1 Bi9 O36\n1.0\n5.558104 0.011327 0.057601\n0.011652 5.532474 -0.023881\n0.272837 -0.111934 25.313422\nSr Ta Si Bi O\n3 7 1 9 36\ndirect\n0.006917 0.248722 0.000521 Sr\n0.011820 0.743691 0.496267 Sr\n0.505860 0.752046 0.000491 Sr\n0.523941 0.249714 0.917117 Ta\n0.016677 0.250737 0.584367 Ta\n0.013661 0.755329 0.085957 Ta\n0.012434 0.242183 0.415000 Ta\n0.024821 0.749424 0.916254 Ta\n0.518812 0.741091 0.584152 Ta\n0.514254 0.247256 0.086658 Ta\n0.522644 0.734471 0.419958 Si\n0.474057 0.218550 0.488641 Bi\n0.476212 0.773054 0.205897 Bi\n0.474775 0.279774 0.701808 Bi\n0.946668 0.222042 0.802460 Bi\n0.928588 0.730343 0.309504 Bi\n0.980347 0.220379 0.205956 Bi\n0.979123 0.725162 0.702113 Bi\n0.451212 0.786373 0.801873 Bi\n0.449269 0.288329 0.305251 Bi\n0.529529 0.300043 0.997726 O\n0.535044 0.798228 0.491093 O\n0.037936 0.703274 0.997949 O\n0.063026 0.206605 0.497897 O\n0.555814 0.691404 0.352788 O\n0.553947 0.175469 0.842017 O\n0.024310 0.316624 0.656492 O\n0.006139 0.825307 0.158247 O\n0.041637 0.309370 0.342261 O\n0.046028 0.827309 0.841932 O\n0.514001 0.687884 0.655984 O\n0.519074 0.187230 0.158575 O\n0.732691 0.997678 0.256224 O\n0.733260 0.496791 0.751240 O\n0.236160 0.010785 0.747957 O\n0.235383 0.511407 0.251684 O\n0.237885 0.012340 0.254409 O\n0.233881 0.511915 0.751526 O\n0.735401 0.996478 0.747917 O\n0.730002 0.502856 0.253767 O\n0.754480 0.984557 0.066586 O\n0.758204 0.478647 0.565260 O\n0.264077 0.022815 0.930570 O\n0.295478 0.509562 0.430951 O\n0.254451 0.020204 0.068264 O\n0.255062 0.525091 0.566488 O\n0.764011 0.977461 0.931957 O\n0.769776 0.488509 0.431462 O\n0.805207 0.970613 0.582312 O\n0.792579 0.479219 0.083630 O\n0.317770 0.002386 0.417423 O\n0.319010 0.533753 0.911163 O\n0.309741 0.030818 0.580351 O\n0.292478 0.525957 0.085540 O\n0.796564 0.975795 0.415858 O\n0.818972 0.466444 0.912282 O\n","nsites":56,"nelements":5,"elements":["Sr","Ta","Si","Bi","O"],"chemical_system":"Bi-O-Si-Sr-Ta","density":8.565046150395894,"density_atomic":0.0719531595146609,"volume":778.284100069152,"volume_molar":8.369529289082786,"formula_full":"Sr3 Ta7 Si1 Bi9 O36","formula_reduced":"Sr3Ta7Si(BiO4)9","formula_anonymous":"AB3C7D9E36","energy":-458.69527013,"energy_per_atom":-8.190986966607143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-433.96327013,"band_gap":2.3719,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.9e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:38:22.217000Z","spacegroup":1},{"id":"mp-1179083","created_at":"2022-09-04T14:48:03.434579Z","structure_string":"V4 Cd2 O20\n1.0\n5.226225 6.695985 0.000000\n-5.226225 6.695985 0.000000\n0.000000 2.931107 6.357693\nV Cd O\n4 2 20\ndirect\n0.610602 0.676657 0.458491 V\n0.676657 0.610602 0.958491 V\n0.889460 0.824915 0.050959 V\n0.824915 0.889460 0.550959 V\n0.251756 0.752790 0.250916 Cd\n0.752790 0.251756 0.750916 Cd\n0.416661 0.769733 0.437694 O\n0.769733 0.416661 0.937694 O\n0.468992 0.605173 0.088930 O\n0.605173 0.468992 0.588930 O\n0.769206 0.851416 0.325010 O\n0.851416 0.769206 0.825010 O\n0.732194 0.648127 0.185366 O\n0.648127 0.732194 0.685366 O\n0.032848 0.892331 0.421796 O\n0.892331 0.032848 0.921796 O\n0.084745 0.734156 0.068188 O\n0.734156 0.084745 0.568188 O\n0.342911 0.063710 0.020218 O\n0.063710 0.342911 0.520218 O\n0.142772 0.272139 0.030095 O\n0.272139 0.142773 0.530095 O\n0.160750 0.445208 0.476258 O\n0.445208 0.160750 0.976258 O\n0.367532 0.244813 0.483282 O\n0.244813 0.367532 0.983282 O\n","nsites":26,"nelements":3,"elements":["V","Cd","O"],"chemical_system":"Cd-O-V","density":2.7935269974360084,"density_atomic":0.058430718167837375,"volume":444.97142625078067,"volume_molar":10.306463704077538,"formula_full":"V4 Cd2 O20","formula_reduced":"V2CdO10","formula_anonymous":"AB2C10","energy":-169.48462632000002,"energy_per_atom":-6.518639473846155,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.46462632,"band_gap":0.7022999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9992877,"is_theoretical":true,"updated_at":"2021-11-28T01:38:24.524000Z","spacegroup":9},{"id":"mp-1202224","created_at":"2022-09-04T14:48:03.445113Z","structure_string":"Pr8 Si8 As24\n1.0\n6.023156 0.000000 0.000000\n0.000000 26.683435 0.000000\n0.000000 0.000000 5.952776\nPr Si As\n8 8 24\ndirect\n0.520635 0.409618 0.755236 Pr\n0.479365 0.590382 0.255236 Pr\n0.979365 0.909618 0.255236 Pr\n0.020635 0.090382 0.755236 Pr\n0.021998 0.405118 0.254637 Pr\n0.978002 0.594882 0.754637 Pr\n0.478002 0.905118 0.754637 Pr\n0.521998 0.094882 0.254637 Pr\n0.443951 0.294489 0.333135 Si\n0.556049 0.705511 0.833135 Si\n0.056049 0.794489 0.833135 Si\n0.943951 0.205511 0.333135 Si\n0.114933 0.291936 0.832436 Si\n0.885067 0.708064 0.332436 Si\n0.385067 0.791936 0.332436 Si\n0.614933 0.208064 0.832436 Si\n0.015579 0.374869 0.751630 As\n0.984421 0.625131 0.251630 As\n0.484421 0.874869 0.251630 As\n0.515579 0.125131 0.751630 As\n0.526714 0.378069 0.251694 As\n0.473286 0.621931 0.751694 As\n0.973286 0.878069 0.751694 As\n0.026714 0.121931 0.251694 As\n0.790832 0.498173 0.478736 As\n0.209168 0.501827 0.978736 As\n0.709168 0.998173 0.978736 As\n0.290832 0.001827 0.478736 As\n0.212893 0.501502 0.543339 As\n0.787107 0.498498 0.043339 As\n0.287107 0.001502 0.043339 As\n0.712893 0.998498 0.543339 As\n0.067711 0.287406 0.229337 As\n0.932289 0.712594 0.729337 As\n0.432289 0.787406 0.729337 As\n0.567711 0.212594 0.229337 As\n0.492547 0.290693 0.729820 As\n0.507453 0.709307 0.229820 As\n0.007453 0.790693 0.229820 As\n0.992547 0.209307 0.729820 As\n","nsites":40,"nelements":3,"elements":["Pr","Si","As"],"chemical_system":"As-Pr-Si","density":5.467427481684265,"density_atomic":0.041809464292941086,"volume":956.7211796768564,"volume_molar":14.4037740302182,"formula_full":"Pr8 Si8 As24","formula_reduced":"PrSiAs3","formula_anonymous":"ABC3","energy":-217.80763845,"energy_per_atom":-5.445190961250001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-217.80763845,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021115,"is_theoretical":false,"updated_at":"2021-11-28T01:38:14.482000Z","spacegroup":33},{"id":"mp-29671","created_at":"2022-09-04T14:48:03.490953Z","structure_string":"Tm1 I2\n1.0\n2.044818 -3.541728 0.000000\n2.044818 3.541728 0.000000\n0.000000 0.000000 8.071125\nTm I\n1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.666667 0.333333 0.761956 I\n0.333333 0.666667 0.238044 I\n","nsites":3,"nelements":2,"elements":["Tm","I"],"chemical_system":"I-Tm","density":6.004705926163838,"density_atomic":0.025661812135047955,"volume":116.90522805685694,"volume_molar":23.467324631276462,"formula_full":"Tm1 I2","formula_reduced":"TmI2","formula_anonymous":"AB2","energy":-11.722618099999998,"energy_per_atom":-3.9075393666666662,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.9646181,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0057443,"is_theoretical":false,"updated_at":"2021-11-28T01:38:21.203000Z","spacegroup":164},{"id":"mp-1368835","created_at":"2022-09-04T14:48:03.356274Z","structure_string":"Tl2 C8 S8 N2\n1.0\n7.424039 0.000000 0.000000\n-1.455996 9.099460 0.000000\n-0.349020 -4.670336 8.942856\nTl C S N\n2 8 8 2\ndirect\n0.235055 0.832831 0.562242 Tl\n0.764945 0.167169 0.437758 Tl\n0.110995 0.792425 0.979836 C\n0.889005 0.207575 0.020164 C\n0.986613 0.730931 0.068233 C\n0.013387 0.269069 0.931767 C\n0.245248 0.860736 0.902125 C\n0.754752 0.139264 0.097875 C\n0.751792 0.643598 0.240405 C\n0.248208 0.356402 0.759595 C\n0.588440 0.055718 0.192189 S\n0.411560 0.944282 0.807811 S\n0.647754 0.820511 0.628582 S\n0.352246 0.179489 0.371418 S\n0.648715 0.622659 0.371123 S\n0.351285 0.377341 0.628877 S\n0.796621 0.669969 0.608936 S\n0.203379 0.330031 0.391064 S\n0.873609 0.679941 0.158100 N\n0.126391 0.320059 0.841900 N\n","nsites":20,"nelements":4,"elements":["Tl","C","S","N"],"chemical_system":"C-N-S-Tl","density":2.1697325017411813,"density_atomic":0.03310532784369975,"volume":604.1323648696681,"volume_molar":18.1908506945841,"formula_full":"Tl2 C8 S8 N2","formula_reduced":"TlC4S4N","formula_anonymous":"ABC4D4","energy":-107.38754674,"energy_per_atom":-5.369377337,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-102.64154674,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020624,"is_theoretical":true,"updated_at":"2021-11-28T01:38:19.837000Z","spacegroup":2},{"id":"mp-1040806","created_at":"2022-09-04T14:48:03.384117Z","structure_string":"Ca4 La4 Ta4 Cr4 O24\n1.0\n-0.000015 5.654866 -0.000042\n-5.450165 -0.000048 8.490700\n5.537010 -0.000078 8.567765\nCa La Ta Cr O\n4 4 4 4 24\ndirect\n0.450269 0.133496 0.611325 Ca\n0.450279 0.633492 0.111322 Ca\n0.049714 0.633497 0.611317 Ca\n0.049733 0.133497 0.111341 Ca\n0.954110 0.368215 0.387216 La\n0.954090 0.868215 0.887217 La\n0.545890 0.868218 0.387205 La\n0.545910 0.368207 0.887222 La\n0.003263 0.750786 0.250978 Ta\n0.003264 0.250778 0.750987 Ta\n0.496749 0.250786 0.250980 Ta\n0.496748 0.750787 0.750985 Ta\n0.998443 0.499238 0.001321 Cr\n0.501544 0.999217 0.001336 Cr\n0.998407 0.999245 0.501322 Cr\n0.501594 0.499233 0.501318 Cr\n0.452669 0.085603 0.192510 O\n0.452663 0.585601 0.692508 O\n0.047339 0.085602 0.692508 O\n0.047335 0.585600 0.192510 O\n0.208512 0.368175 0.582484 O\n0.208511 0.868173 0.082484 O\n0.291462 0.868162 0.582522 O\n0.291465 0.368155 0.082526 O\n0.215773 0.180661 0.384910 O\n0.215776 0.680660 0.884916 O\n0.284230 0.680660 0.384913 O\n0.284231 0.180660 0.884913 O\n0.718710 0.316571 0.617007 O\n0.718713 0.816574 0.117006 O\n0.781296 0.816575 0.617005 O\n0.781290 0.316579 0.117005 O\n0.702342 0.129968 0.418597 O\n0.702351 0.629969 0.918596 O\n0.797662 0.629967 0.418599 O\n0.797657 0.129965 0.918597 O\n0.957467 0.917300 0.303625 O\n0.957466 0.417306 0.803624 O\n0.542533 0.917301 0.803623 O\n0.542538 0.417301 0.303624 O\n","nsites":40,"nelements":5,"elements":["Ca","La","Ta","Cr","O"],"chemical_system":"Ca-Cr-La-O-Ta","density":6.366560788482205,"density_atomic":0.0754843964082136,"volume":529.9108412244988,"volume_molar":7.977994190259857,"formula_full":"Ca4 La4 Ta4 Cr4 O24","formula_reduced":"CaLaTaCrO6","formula_anonymous":"ABCDE6","energy":-364.2702935699999,"energy_per_atom":-9.106757339249999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-339.78629357,"band_gap":1.9194000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:38:13.990000Z","spacegroup":7},{"id":"mp-6102","created_at":"2022-09-04T14:48:03.420981Z","structure_string":"Nd1 Ni2 B2 C1\n1.0\n-1.847576 1.847576 5.001690\n1.847576 -1.847576 5.001690\n1.847576 1.847576 -5.001690\nNd Ni B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n0.350341 0.350341 0.000000 B\n0.649659 0.649659 0.000000 B\n0.500000 0.500000 0.000000 C\n","nsites":6,"nelements":4,"elements":["Nd","Ni","B","C"],"chemical_system":"B-C-Nd-Ni","density":7.1791748794062,"density_atomic":0.08785568388573706,"volume":68.29381702615225,"volume_molar":6.8545829861528915,"formula_full":"Nd1 Ni2 B2 C1","formula_reduced":"NdNi2B2C","formula_anonymous":"ABC2D2","energy":-41.63099751,"energy_per_atom":-6.938499585,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.63099751,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0063847,"is_theoretical":false,"updated_at":"2021-11-28T01:38:25.861000Z","spacegroup":139},{"id":"mp-1224627","created_at":"2022-09-04T14:48:03.427581Z","structure_string":"Gd2 Y2 W6 O24\n1.0\n5.778653 3.917037 0.000000\n-5.778653 3.917037 0.000000\n0.000000 3.845121 10.800384\nGd Y W O\n2 2 6 24\ndirect\n0.212436 0.458964 0.844235 Gd\n0.541036 0.787564 0.155765 Gd\n0.787502 0.541933 0.656089 Y\n0.458067 0.212498 0.343911 Y\n0.038490 0.250128 0.204631 W\n0.749872 0.961510 0.795369 W\n0.959471 0.747749 0.298231 W\n0.252251 0.040529 0.701769 W\n0.633436 0.366564 0.000000 W\n0.366447 0.633553 0.500000 W\n0.042488 0.396000 0.052892 O\n0.604000 0.957512 0.947108 O\n0.954206 0.602027 0.450170 O\n0.397973 0.045794 0.549830 O\n0.893067 0.970872 0.178968 O\n0.029128 0.106933 0.821032 O\n0.107472 0.027657 0.323214 O\n0.972343 0.892528 0.676786 O\n0.269373 0.834702 0.812245 O\n0.165298 0.730627 0.187755 O\n0.735161 0.169236 0.684966 O\n0.830764 0.264839 0.315034 O\n0.837531 0.418570 0.855417 O\n0.581430 0.162469 0.144583 O\n0.159103 0.581812 0.642846 O\n0.418188 0.840897 0.357154 O\n0.374541 0.291905 0.971492 O\n0.708095 0.625459 0.028508 O\n0.624101 0.706557 0.530417 O\n0.293443 0.375899 0.469583 O\n0.583027 0.685405 0.785700 O\n0.314595 0.416973 0.214300 O\n0.420696 0.315033 0.712718 O\n0.684967 0.579304 0.287282 O\n","nsites":34,"nelements":4,"elements":["Gd","Y","W","O"],"chemical_system":"Gd-O-W-Y","density":6.722261821356586,"density_atomic":0.0695385185508447,"volume":488.93765223284294,"volume_molar":8.660151072382673,"formula_full":"Gd2 Y2 W6 O24","formula_reduced":"GdY(WO4)3","formula_anonymous":"ABC3D12","energy":-330.25405909,"energy_per_atom":-9.713354679117646,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-287.13805909,"band_gap":3.2727,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0002667,"is_theoretical":true,"updated_at":"2021-11-28T01:38:22.009000Z","spacegroup":5}]}