{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=43","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=41","results":[{"id":"mp-1104825","created_at":"2022-09-04T14:40:57.858458Z","structure_string":"Ca4 Ni6 Ge4\n1.0\n0.000000 3.992535 0.000000\n0.000000 0.000000 7.028601\n9.043092 0.000000 0.000000\nCa Ni Ge\n4 6 4\ndirect\n0.000000 0.830502 0.250000 Ca\n0.000000 0.169498 0.750000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.500000 0.184738 0.250000 Ni\n0.500000 0.815262 0.750000 Ni\n0.000000 0.153358 0.073174 Ni\n0.000000 0.846642 0.926826 Ni\n0.000000 0.153358 0.426826 Ni\n0.000000 0.846642 0.573174 Ni\n0.000000 0.399602 0.250000 Ge\n0.000000 0.600398 0.750000 Ge\n0.500000 0.000000 0.000000 Ge\n0.500000 0.000000 0.500000 Ge\n","nsites":14,"nelements":3,"elements":["Ca","Ni","Ge"],"chemical_system":"Ca-Ge-Ni","density":5.254695983321911,"density_atomic":0.055168790727384794,"volume":253.76666436610242,"volume_molar":10.915846950059608,"formula_full":"Ca4 Ni6 Ge4","formula_reduced":"Ca2Ni3Ge2","formula_anonymous":"A2B2C3","energy":-68.23743998,"energy_per_atom":-4.874102855714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.23743998,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0088203,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.911000Z","spacegroup":51},{"id":"mp-29372","created_at":"2022-09-04T14:40:57.864308Z","structure_string":"Cs16 Ga8 Sb16\n1.0\n8.555201 0.000000 0.000000\n0.000000 11.406032 0.000000\n0.000000 0.000000 18.382540\nCs Ga Sb\n16 8 16\ndirect\n0.869978 0.447818 0.364354 Cs\n0.369978 0.552182 0.135646 Cs\n0.130022 0.947818 0.635646 Cs\n0.630022 0.052182 0.864354 Cs\n0.130022 0.552182 0.635646 Cs\n0.630022 0.447818 0.864354 Cs\n0.869978 0.052182 0.364354 Cs\n0.369978 0.947818 0.135646 Cs\n0.376231 0.466498 0.372198 Cs\n0.876231 0.533502 0.127802 Cs\n0.623769 0.966498 0.627802 Cs\n0.123769 0.033502 0.872198 Cs\n0.623769 0.533502 0.627802 Cs\n0.123769 0.466498 0.872198 Cs\n0.376231 0.033502 0.372198 Cs\n0.876231 0.966498 0.127802 Cs\n0.107533 0.750000 0.421703 Ga\n0.607533 0.250000 0.078297 Ga\n0.392467 0.750000 0.921703 Ga\n0.859704 0.750000 0.921222 Ga\n0.359704 0.250000 0.578778 Ga\n0.140296 0.250000 0.078778 Ga\n0.640296 0.750000 0.421222 Ga\n0.892467 0.250000 0.578297 Ga\n0.702840 0.750000 0.281492 Sb\n0.373354 0.250000 0.987486 Sb\n0.126646 0.250000 0.487486 Sb\n0.873354 0.750000 0.512514 Sb\n0.456009 0.750000 0.781858 Sb\n0.956009 0.250000 0.718142 Sb\n0.543991 0.250000 0.218142 Sb\n0.043991 0.750000 0.281858 Sb\n0.202840 0.250000 0.218508 Sb\n0.297160 0.250000 0.718508 Sb\n0.797160 0.750000 0.781492 Sb\n0.374466 0.750000 0.495119 Sb\n0.125534 0.750000 0.995119 Sb\n0.625534 0.250000 0.504881 Sb\n0.626646 0.750000 0.012514 Sb\n0.874466 0.250000 0.004881 Sb\n","nsites":40,"nelements":3,"elements":["Cs","Ga","Sb"],"chemical_system":"Cs-Ga-Sb","density":4.288325627555932,"density_atomic":0.02229921980778268,"volume":1793.784730802086,"volume_molar":27.006060355072176,"formula_full":"Cs16 Ga8 Sb16","formula_reduced":"Cs2GaSb2","formula_anonymous":"AB2C2","energy":-124.60281102,"energy_per_atom":-3.1150702755,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-121.53081102,"band_gap":1.0828000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020451,"is_theoretical":false,"updated_at":"2021-11-28T01:35:12.143000Z","spacegroup":62},{"id":"mp-720430","created_at":"2022-09-04T14:40:57.866264Z","structure_string":"Ca2 B6 H14 O18\n1.0\n6.522119 0.000000 0.000000\n1.362577 6.532483 0.000000\n0.101392 0.464013 8.419419\nCa B H O\n2 6 14 18\ndirect\n0.755371 0.011371 0.376343 Ca\n0.244629 0.988629 0.623657 Ca\n0.514832 0.316226 0.798855 B\n0.485168 0.683774 0.201145 B\n0.834150 0.287835 0.632044 B\n0.165850 0.712165 0.367956 B\n0.300686 0.039819 0.264645 B\n0.699314 0.960181 0.735355 B\n0.349109 0.569190 0.899581 H\n0.650891 0.430810 0.100419 H\n0.850824 0.457193 0.420800 H\n0.149176 0.542807 0.579200 H\n0.356209 0.317639 0.349361 H\n0.643791 0.682361 0.650639 H\n0.269600 0.252855 0.064717 H\n0.730400 0.747145 0.935283 H\n0.052775 0.373243 0.779407 H\n0.947225 0.626757 0.220593 H\n0.772904 0.050374 0.029563 H\n0.227096 0.949626 0.970437 H\n0.938533 0.165744 0.103838 H\n0.061467 0.834256 0.896162 H\n0.672185 0.403880 0.735681 O\n0.327815 0.596120 0.264319 O\n0.354256 0.421231 0.890276 O\n0.645744 0.578769 0.109724 O\n0.507875 0.113953 0.777722 O\n0.492125 0.886047 0.222278 O\n0.795423 0.337616 0.462502 O\n0.204577 0.662384 0.537498 O\n0.851298 0.061992 0.652376 O\n0.148702 0.938008 0.347624 O\n0.380777 0.169846 0.378984 O\n0.619223 0.830154 0.621016 O\n0.787814 0.152858 0.107207 O\n0.212186 0.847142 0.892793 O\n0.198922 0.152373 0.120918 O\n0.801078 0.847627 0.879082 O\n0.042978 0.333476 0.670665 O\n0.957022 0.666524 0.329335 O\n","nsites":40,"nelements":4,"elements":["Ca","B","H","O"],"chemical_system":"B-Ca-H-O","density":2.069790344025401,"density_atomic":0.11150924144985529,"volume":358.71466328633977,"volume_molar":5.400575487465856,"formula_full":"Ca2 B6 H14 O18","formula_reduced":"CaB3H7O9","formula_anonymous":"AB3C7D9","energy":-265.70938341,"energy_per_atom":-6.6427345852499995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-253.34338341,"band_gap":5.4108,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003229,"is_theoretical":false,"updated_at":"2021-11-28T01:34:59.215000Z","spacegroup":2},{"id":"mp-1224663","created_at":"2022-09-04T14:40:57.872723Z","structure_string":"Gd1 Al1 Ga1\n1.0\n2.224963 -3.853749 0.000000\n2.224963 3.853749 0.000000\n0.000000 0.000000 3.714484\nGd Al Ga\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Gd\n0.000000 0.000000 0.500000 Al\n0.333333 0.666667 0.500000 Ga\n","nsites":3,"nelements":3,"elements":["Gd","Al","Ga"],"chemical_system":"Al-Ga-Gd","density":6.6201887257481244,"density_atomic":0.047096273921049356,"volume":63.69930676531017,"volume_molar":12.786873055170604,"formula_full":"Gd1 Al1 Ga1","formula_reduced":"GdAlGa","formula_anonymous":"ABC","energy":-22.5558901,"energy_per_atom":-7.518630033333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.5558901,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.1298258,"is_theoretical":true,"updated_at":"2021-11-28T01:35:20.990000Z","spacegroup":187},{"id":"mp-976184","created_at":"2022-09-04T14:40:57.872044Z","structure_string":"Hf8 Co8 Si14\n1.0\n-6.430764 6.430764 2.523379\n6.430764 -6.430764 2.523379\n6.430764 6.430764 -2.523379\nHf Co Si\n8 8 14\ndirect\n0.137485 0.137485 0.274971 Hf\n0.862515 0.862515 0.725029 Hf\n0.137485 0.862515 0.000000 Hf\n0.862515 0.137485 0.000000 Hf\n0.303622 0.500000 0.803622 Hf\n0.696378 0.500000 0.196378 Hf\n0.500000 0.696378 0.196378 Hf\n0.500000 0.303622 0.803622 Hf\n0.102061 0.602061 0.204121 Co\n0.397939 0.897939 0.795879 Co\n0.897939 0.102061 0.500000 Co\n0.602061 0.397939 0.500000 Co\n0.602061 0.102061 0.204121 Co\n0.897939 0.397939 0.795879 Co\n0.102061 0.897939 0.500000 Co\n0.397939 0.602061 0.500000 Co\n0.289709 0.289709 0.579418 Si\n0.710291 0.710291 0.420582 Si\n0.289709 0.710291 0.000000 Si\n0.710291 0.289709 0.000000 Si\n0.091814 0.500000 0.591814 Si\n0.908186 0.500000 0.408186 Si\n0.500000 0.908186 0.408186 Si\n0.500000 0.091814 0.591814 Si\n0.250539 0.250539 0.000000 Si\n0.749461 0.749461 0.000000 Si\n0.301398 0.000000 0.301398 Si\n0.698602 0.000000 0.698602 Si\n0.000000 0.698602 0.698602 Si\n0.000000 0.301398 0.301398 Si\n","nsites":30,"nelements":3,"elements":["Hf","Co","Si"],"chemical_system":"Co-Hf-Si","density":9.12024410093246,"density_atomic":0.07187099132476425,"volume":417.41458475838556,"volume_molar":8.379097948973161,"formula_full":"Hf8 Co8 Si14","formula_reduced":"Hf4Co4Si7","formula_anonymous":"A4B4C7","energy":-235.17389282,"energy_per_atom":-7.839129760666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-236.16789282,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.54e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:22.435000Z","spacegroup":139},{"id":"mp-1177189","created_at":"2022-09-04T14:40:57.873424Z","structure_string":"Li8 V6 P16 O58\n1.0\n9.771920 0.000000 0.000000\n4.821078 8.519960 0.000000\n0.087260 0.030379 14.224347\nLi V P O\n8 6 16 58\ndirect\n0.905322 0.329812 0.941162 Li\n0.906495 0.776584 0.441949 Li\n0.332055 0.765912 0.946752 Li\n0.681308 0.095562 0.555331 Li\n0.313588 0.916540 0.435540 Li\n0.222775 0.690651 0.556780 Li\n0.094694 0.670661 0.058623 Li\n0.945936 0.031121 0.005237 Li\n0.567208 0.996263 0.755804 V\n0.431854 0.002943 0.243387 V\n0.568256 0.428665 0.251442 V\n0.440065 0.560514 0.749637 V\n0.000604 0.430564 0.748615 V\n0.000545 0.560341 0.250236 V\n0.912231 0.311009 0.159065 P\n0.773010 0.314939 0.656195 P\n0.910653 0.770718 0.661834 P\n0.664302 0.665154 0.869284 P\n0.662644 0.668770 0.367187 P\n0.781750 0.911484 0.159202 P\n0.681832 0.085031 0.339537 P\n0.317219 0.768381 0.160820 P\n0.692748 0.223322 0.839580 P\n0.321170 0.910256 0.655727 P\n0.223214 0.081590 0.837987 P\n0.338652 0.328118 0.633428 P\n0.330261 0.340806 0.131226 P\n0.084901 0.225362 0.341356 P\n0.230379 0.679023 0.341736 P\n0.089856 0.682841 0.841357 P\n0.993496 0.241146 0.426596 O\n0.913132 0.344850 0.664369 O\n0.789119 0.212761 0.922953 O\n0.741002 0.343302 0.170630 O\n0.912743 0.469087 0.173081 O\n0.811596 0.512040 0.835263 O\n0.895702 0.624780 0.679555 O\n0.019951 0.766760 0.931191 O\n0.921302 0.737527 0.166665 O\n0.658237 0.523303 0.322576 O\n0.620161 0.475028 0.678288 O\n0.816283 0.665239 0.324189 O\n0.644474 0.677540 0.973073 O\n0.671281 0.666015 0.471400 O\n0.669420 0.811920 0.823972 O\n0.472135 0.614144 0.174192 O\n0.511581 0.672318 0.824786 O\n0.745449 0.920680 0.664692 O\n0.800526 0.990435 0.255770 O\n0.753981 0.002634 0.430345 O\n0.811954 0.987448 0.077721 O\n0.623484 0.916380 0.166099 O\n0.514744 0.816741 0.328396 O\n0.654501 0.087527 0.834354 O\n0.479025 0.904809 0.679686 O\n0.341456 0.741428 0.664339 O\n0.793582 0.205314 0.746791 O\n0.757828 0.238381 0.571203 O\n0.239131 0.759079 0.429482 O\n0.656870 0.253773 0.333636 O\n0.523479 0.091944 0.320110 O\n0.345312 0.909814 0.164902 O\n0.488377 0.179036 0.674129 O\n0.382540 0.083277 0.826650 O\n0.220849 0.985557 0.918587 O\n0.256680 0.980485 0.563217 O\n0.204099 0.008472 0.740107 O\n0.253608 0.083134 0.336277 O\n0.478493 0.338315 0.177397 O\n0.536962 0.381951 0.828568 O\n0.324998 0.196345 0.169993 O\n0.321108 0.366662 0.027880 O\n0.346533 0.339961 0.529726 O\n0.193117 0.329222 0.676957 O\n0.380369 0.521282 0.324682 O\n0.340785 0.478231 0.678457 O\n0.084040 0.250955 0.839593 O\n0.005833 0.202196 0.245597 O\n0.978666 0.234574 0.066833 O\n0.093711 0.379619 0.318255 O\n0.181787 0.494222 0.175509 O\n0.085487 0.528847 0.827415 O\n0.262407 0.653238 0.833761 O\n0.230366 0.770564 0.073240 O\n0.208144 0.788632 0.251689 O\n0.081991 0.659442 0.342437 O\n0.996672 0.764549 0.572300 O\n0.003029 0.791203 0.750528 O\n","nsites":88,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.5024762995041643,"density_atomic":0.07430753850181783,"volume":1184.2674616095271,"volume_molar":8.104346990114168,"formula_full":"Li8 V6 P16 O58","formula_reduced":"Li4V3P8O29","formula_anonymous":"A3B4C8D29","energy":-669.77547066,"energy_per_atom":-7.611084893863636,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-619.72947066,"band_gap":0.7908999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.905154,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.933000Z","spacegroup":1},{"id":"mp-765130","created_at":"2022-09-04T14:40:57.876750Z","structure_string":"Li10 V6 P16 O58\n1.0\n9.774638 0.000000 0.000000\n-4.886525 -8.507617 0.000000\n-0.092904 0.010768 -14.075334\nLi V P O\n10 6 16 58\ndirect\n0.686617 0.910449 0.942682 Li\n0.663698 0.767036 0.438834 Li\n0.236364 0.907801 0.439378 Li\n0.085129 0.774124 0.942511 Li\n0.226008 0.320509 0.941632 Li\n0.905314 0.671218 0.557827 Li\n0.099433 0.339478 0.437342 Li\n0.673434 0.341664 0.891484 Li\n0.309639 0.084557 0.063372 Li\n0.007510 0.043956 0.497357 Li\n0.998676 0.562148 0.751006 V\n0.999834 0.431423 0.247259 V\n0.566242 0.567643 0.248538 V\n0.430667 0.430193 0.748912 V\n0.571514 0.001030 0.742305 V\n0.433688 0.997399 0.253994 V\n0.680137 0.912401 0.157365 P\n0.686366 0.768259 0.657393 P\n0.224674 0.914069 0.656810 P\n0.337179 0.671199 0.869803 P\n0.333715 0.664859 0.372254 P\n0.088211 0.768143 0.158815 P\n0.913253 0.683317 0.340700 P\n0.230125 0.318556 0.156670 P\n0.770883 0.682203 0.841781 P\n0.083761 0.312837 0.655797 P\n0.909861 0.224487 0.838452 P\n0.665320 0.333924 0.628947 P\n0.661759 0.329927 0.131300 P\n0.778899 0.085297 0.339954 P\n0.308176 0.225250 0.340753 P\n0.322279 0.089548 0.841315 P\n0.795977 0.993967 0.420677 O\n0.664558 0.915400 0.665601 O\n0.757865 0.768939 0.923154 O\n0.658703 0.743866 0.171238 O\n0.519526 0.900186 0.179219 O\n0.480440 0.819887 0.821536 O\n0.384158 0.915408 0.673149 O\n0.246443 0.996935 0.929516 O\n0.253700 0.918152 0.164879 O\n0.489269 0.675253 0.329457 O\n0.529299 0.619240 0.672116 O\n0.320418 0.808730 0.333404 O\n0.345984 0.686813 0.974955 O\n0.344256 0.668583 0.478339 O\n0.181228 0.664056 0.829129 O\n0.381215 0.479901 0.178440 O\n0.336152 0.520531 0.833613 O\n0.082981 0.746306 0.662142 O\n0.994799 0.788788 0.247809 O\n0.998578 0.774605 0.429161 O\n0.008485 0.759354 0.067292 O\n0.102851 0.620991 0.180234 O\n0.190095 0.510055 0.333652 O\n0.916386 0.659129 0.845215 O\n0.085202 0.468951 0.668714 O\n0.253122 0.340868 0.671787 O\n0.799698 0.783394 0.744160 O\n0.769688 0.774192 0.566246 O\n0.201283 0.211651 0.420227 O\n0.742200 0.657473 0.340429 O\n0.912152 0.528669 0.330096 O\n0.086343 0.339834 0.159942 O\n0.814899 0.487228 0.670349 O\n0.884447 0.368462 0.825061 O\n0.008106 0.236088 0.921426 O\n0.017715 0.232163 0.563183 O\n0.982838 0.198967 0.741604 O\n0.918031 0.256678 0.339176 O\n0.656276 0.475565 0.178392 O\n0.623772 0.515719 0.825519 O\n0.809878 0.332116 0.172196 O\n0.658215 0.338497 0.025012 O\n0.670924 0.332342 0.523885 O\n0.671572 0.186035 0.675074 O\n0.462960 0.384253 0.331374 O\n0.518062 0.325902 0.674288 O\n0.740930 0.076293 0.839689 O\n0.799630 0.012511 0.241436 O\n0.747651 0.984103 0.064887 O\n0.620415 0.082243 0.333254 O\n0.510720 0.181574 0.168397 O\n0.488358 0.110254 0.823555 O\n0.337026 0.253877 0.844088 O\n0.249681 0.249590 0.066082 O\n0.213580 0.201713 0.241437 O\n0.341610 0.086386 0.342373 O\n0.220642 0.991605 0.566479 O\n0.211730 0.003248 0.749975 O\n","nsites":90,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.551628386681589,"density_atomic":0.07689094303849917,"volume":1170.4889606430909,"volume_molar":7.832054754465325,"formula_full":"Li10 V6 P16 O58","formula_reduced":"Li5V3P8O29","formula_anonymous":"A3B5C8D29","energy":-682.65429671,"energy_per_atom":-7.585047741222223,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-632.60829671,"band_gap":0.9598,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9979218,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.889000Z","spacegroup":1},{"id":"mp-8909","created_at":"2022-09-04T14:40:57.884324Z","structure_string":"Ru4 O8\n1.0\n4.898219 0.000000 0.000000\n0.000000 4.898219 0.000000\n0.000000 0.000000 4.898219\nRu O\n4 8\ndirect\n0.500000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.149200 0.850800 0.350800 O\n0.850800 0.350800 0.149200 O\n0.350800 0.149200 0.850800 O\n0.649200 0.649200 0.649200 O\n0.850800 0.149200 0.649200 O\n0.149200 0.649200 0.850800 O\n0.649200 0.850800 0.149200 O\n0.350800 0.350800 0.350800 O\n","nsites":12,"nelements":2,"elements":["Ru","O"],"chemical_system":"O-Ru","density":7.520915920013297,"density_atomic":0.10210961772428306,"volume":117.52076119217745,"volume_molar":5.897721384346983,"formula_full":"Ru4 O8","formula_reduced":"RuO2","formula_anonymous":"AB2","energy":-93.37210706,"energy_per_atom":-7.781008921666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.87610706,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.82e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:21.310000Z","spacegroup":205},{"id":"mp-865114","created_at":"2022-09-04T14:40:57.889951Z","structure_string":"Na1 Dy1 Tl2\n1.0\n0.000000 3.788011 3.788011\n3.788011 0.000000 3.788011\n3.788011 3.788011 0.000000\nNa Dy Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Dy\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n","nsites":4,"nelements":3,"elements":["Na","Dy","Tl"],"chemical_system":"Dy-Na-Tl","density":9.077353584618095,"density_atomic":0.03679563492099141,"volume":108.7085467770541,"volume_molar":16.366454262661602,"formula_full":"Na1 Dy1 Tl2","formula_reduced":"NaDyTl2","formula_anonymous":"ABC2","energy":-11.58574498,"energy_per_atom":-2.896436245,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.58574498,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005364,"is_theoretical":true,"updated_at":"2021-11-28T01:35:01.907000Z","spacegroup":225},{"id":"mp-763149","created_at":"2022-09-04T14:40:57.891585Z","structure_string":"Li4 Mn4 F12\n1.0\n6.240890 0.000000 0.000000\n0.000000 6.240890 0.000000\n0.000000 0.000000 6.240890\nLi Mn F\n4 4 12\ndirect\n0.629653 0.629653 0.629653 Li\n0.370347 0.129653 0.870347 Li\n0.870347 0.370347 0.129653 Li\n0.129653 0.870347 0.370347 Li\n0.337249 0.337249 0.337249 Mn\n0.162751 0.662751 0.837249 Mn\n0.837249 0.162751 0.662751 Mn\n0.662751 0.837249 0.162751 Mn\n0.126073 0.990398 0.734457 F\n0.009602 0.234457 0.373927 F\n0.234457 0.373927 0.009602 F\n0.265543 0.626073 0.509602 F\n0.490398 0.765543 0.873927 F\n0.373927 0.009602 0.234457 F\n0.626073 0.509602 0.265543 F\n0.509602 0.265543 0.626073 F\n0.734457 0.126073 0.990398 F\n0.765543 0.873927 0.490398 F\n0.990398 0.734457 0.126073 F\n0.873927 0.490398 0.765543 F\n","nsites":20,"nelements":3,"elements":["Li","Mn","F"],"chemical_system":"F-Li-Mn","density":3.2483088232629798,"density_atomic":0.0822792666007588,"volume":243.074602220817,"volume_molar":7.319147348773843,"formula_full":"Li4 Mn4 F12","formula_reduced":"LiMnF3","formula_anonymous":"ABC3","energy":-127.51757513,"energy_per_atom":-6.3758787565,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-115.30157513,"band_gap":2.9855,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0151153,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.889000Z","spacegroup":198},{"id":"mp-1186111","created_at":"2022-09-04T14:40:57.893550Z","structure_string":"Na1 Ac1 In2\n1.0\n0.000000 3.971356 3.971356\n3.971356 0.000000 3.971356\n3.971356 3.971356 0.000000\nNa Ac In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Ac\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n","nsites":4,"nelements":3,"elements":["Na","Ac","In"],"chemical_system":"Ac-In-Na","density":6.357774954471415,"density_atomic":0.0319310747351517,"volume":125.26982048607817,"volume_molar":18.85981229867736,"formula_full":"Na1 Ac1 In2","formula_reduced":"NaAcIn2","formula_anonymous":"ABC2","energy":-12.04424348,"energy_per_atom":-3.01106087,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.04424348,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.14e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:12.394000Z","spacegroup":225},{"id":"mp-1182818","created_at":"2022-09-04T14:40:56.358791Z","structure_string":"Bi8 W4 O24\n1.0\n15.670267 0.000000 0.000000\n0.000000 10.464794 0.000000\n0.000000 0.000000 3.690154\nBi W O\n8 4 24\ndirect\n0.896067 0.366205 0.010512 Bi\n0.103933 0.866205 0.989488 Bi\n0.603933 0.866205 0.010512 Bi\n0.176114 0.461034 0.976659 Bi\n0.396067 0.366205 0.989488 Bi\n0.676114 0.461034 0.023341 Bi\n0.323886 0.961034 0.976659 Bi\n0.823886 0.961034 0.023341 Bi\n0.945309 0.674714 0.516429 W\n0.445309 0.674714 0.483571 W\n0.554691 0.174714 0.516429 W\n0.054691 0.174714 0.483571 W\n0.606943 0.342571 0.529598 O\n0.531371 0.107363 0.014970 O\n0.766810 0.318557 0.033770 O\n0.106943 0.342571 0.470402 O\n0.233189 0.818557 0.966230 O\n0.249760 0.053032 0.472137 O\n0.393057 0.842571 0.470402 O\n0.750240 0.553032 0.527863 O\n0.570063 0.745702 0.506739 O\n0.656306 0.029522 0.530854 O\n0.070063 0.745702 0.493261 O\n0.468629 0.607363 0.985030 O\n0.156306 0.029522 0.469146 O\n0.250240 0.553032 0.472137 O\n0.893057 0.842571 0.529598 O\n0.343694 0.529522 0.469146 O\n0.031371 0.107363 0.985030 O\n0.266811 0.318557 0.966230 O\n0.843694 0.529522 0.530854 O\n0.968629 0.607363 0.014970 O\n0.749760 0.053032 0.527863 O\n0.929937 0.245702 0.506739 O\n0.733190 0.818557 0.033770 O\n0.429937 0.245702 0.493261 O\n","nsites":36,"nelements":3,"elements":["Bi","W","O"],"chemical_system":"Bi-O-W","density":7.659258733839578,"density_atomic":0.0594909535400014,"volume":605.1340221970689,"volume_molar":10.122784056488094,"formula_full":"Bi8 W4 O24","formula_reduced":"Bi2WO6","formula_anonymous":"AB2C6","energy":-246.4777279,"energy_per_atom":-6.846603552777777,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-217.5657279,"band_gap":0.5579999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.0000087,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.659000Z","spacegroup":29}]}