{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=12152","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=12150","results":[{"id":"mp-754925","created_at":"2022-09-04T14:48:06.794136Z","structure_string":"Ba4 La4 I20\n1.0\n11.492414 0.000000 0.000000\n0.000000 8.907527 0.000000\n0.000000 6.757199 12.925425\nBa La I\n4 4 20\ndirect\n0.468909 0.867516 0.296342 Ba\n0.031091 0.867516 0.796342 Ba\n0.968909 0.132484 0.203658 Ba\n0.531091 0.132484 0.703658 Ba\n0.655397 0.505165 0.138946 La\n0.155397 0.494835 0.361054 La\n0.844603 0.505165 0.638946 La\n0.344603 0.494835 0.861054 La\n0.702283 0.851938 0.146588 I\n0.188057 0.878193 0.175422 I\n0.175938 0.546801 0.013343 I\n0.923771 0.480938 0.244170 I\n0.479494 0.260733 0.075396 I\n0.979494 0.739267 0.424604 I\n0.423771 0.519062 0.255830 I\n0.797717 0.851938 0.646588 I\n0.675938 0.453199 0.486657 I\n0.311943 0.878193 0.675422 I\n0.688057 0.121807 0.324578 I\n0.324062 0.546801 0.513343 I\n0.202283 0.148062 0.353412 I\n0.576229 0.480938 0.744170 I\n0.020506 0.260733 0.575396 I\n0.520506 0.739267 0.924604 I\n0.076229 0.519062 0.755830 I\n0.824062 0.453199 0.986657 I\n0.811943 0.121807 0.824578 I\n0.297717 0.148062 0.853412 I\n","nsites":28,"nelements":3,"elements":["Ba","La","I"],"chemical_system":"Ba-I-La","density":4.571906343219108,"density_atomic":0.021161419145650995,"volume":1323.1626767222008,"volume_molar":28.458113884283815,"formula_full":"Ba4 La4 I20","formula_reduced":"BaLaI5","formula_anonymous":"ABC5","energy":-110.16421672,"energy_per_atom":-3.934436311428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-102.58421672,"band_gap":2.3307,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0026427,"is_theoretical":true,"updated_at":"2021-11-28T01:38:29.971000Z","spacegroup":14},{"id":"mp-555229","created_at":"2022-09-04T14:48:06.210133Z","structure_string":"H10 C2 N2 O4\n1.0\n4.723571 0.000000 0.000000\n0.000000 3.906135 0.000000\n0.000000 0.462858 9.170831\nH C N O\n10 2 2 4\ndirect\n0.036500 0.163952 0.583763 H\n0.264095 0.855716 0.524518 H\n0.106914 0.144657 0.401011 H\n0.907269 0.836447 0.495618 H\n0.963500 0.163952 0.083763 H\n0.454558 0.505510 0.770602 H\n0.893086 0.144657 0.901011 H\n0.735905 0.855716 0.024518 H\n0.092731 0.836447 0.995618 H\n0.545442 0.505510 0.270602 H\n0.370687 0.500417 0.189390 C\n0.629313 0.500417 0.689390 C\n0.918912 0.000366 0.999905 N\n0.081088 0.000366 0.499905 N\n0.134694 0.375856 0.232885 O\n0.865306 0.375856 0.732885 O\n0.422156 0.619780 0.060807 O\n0.577844 0.619780 0.560807 O\n","nsites":18,"nelements":4,"elements":["H","C","N","O"],"chemical_system":"C-H-N-O","density":1.2375946835860019,"density_atomic":0.1063766031705572,"volume":169.21014079703215,"volume_molar":5.661151588328591,"formula_full":"H10 C2 N2 O4","formula_reduced":"H5CNO2","formula_anonymous":"ABC2D5","energy":-105.33633236,"energy_per_atom":-5.852018464444445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-101.86633236,"band_gap":5.0248,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0032259,"is_theoretical":false,"updated_at":"2021-11-28T01:38:25.580000Z","spacegroup":7},{"id":"mp-1100817","created_at":"2022-09-04T14:48:06.218402Z","structure_string":"Zr8 Pb8 O20\n1.0\n6.289506 0.000000 0.000000\n0.000000 8.081641 -0.027814\n0.000000 -0.034185 12.330557\nZr Pb O\n8 8 20\ndirect\n0.199647 0.248837 0.106142 Zr\n0.296936 0.750933 0.106121 Zr\n0.203242 0.750892 0.606358 Zr\n0.300174 0.248856 0.606304 Zr\n0.796936 0.249067 0.393879 Zr\n0.699647 0.751163 0.393858 Zr\n0.703242 0.249108 0.893642 Zr\n0.800174 0.751144 0.893696 Zr\n0.185866 0.949835 0.343041 Pb\n0.203594 0.537902 0.333348 Pb\n0.314130 0.949906 0.843017 Pb\n0.296649 0.537994 0.833344 Pb\n0.685866 0.050165 0.156959 Pb\n0.703594 0.462098 0.166652 Pb\n0.814130 0.050094 0.656983 Pb\n0.796649 0.462006 0.666656 Pb\n0.947419 0.236004 0.007949 O\n0.026380 0.232606 0.502727 O\n0.052883 0.764041 0.992290 O\n0.973158 0.767483 0.497130 O\n0.022038 0.265495 0.249738 O\n0.219688 0.496976 0.630658 O\n0.219620 0.003947 0.648757 O\n0.280359 0.003958 0.148758 O\n0.280284 0.496974 0.130693 O\n0.477934 0.265480 0.749728 O\n0.552883 0.235959 0.507710 O\n0.473158 0.232517 0.002870 O\n0.447419 0.763996 0.492051 O\n0.526380 0.767394 0.997273 O\n0.522038 0.734505 0.250262 O\n0.719688 0.503024 0.869342 O\n0.719620 0.996053 0.851243 O\n0.780359 0.996042 0.351242 O\n0.780284 0.503026 0.369307 O\n0.977934 0.734520 0.750272 O\n","nsites":36,"nelements":3,"elements":["Zr","Pb","O"],"chemical_system":"O-Pb-Zr","density":7.173046931435585,"density_atomic":0.0574391307946535,"volume":626.7504313166055,"volume_molar":10.484386996609196,"formula_full":"Zr8 Pb8 O20","formula_reduced":"Zr2Pb2O5","formula_anonymous":"A2B2C5","energy":-290.26288937,"energy_per_atom":-8.062858038055555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-276.52288937,"band_gap":0.2576999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0066223,"is_theoretical":true,"updated_at":"2021-11-28T01:38:29.070000Z","spacegroup":14},{"id":"mp-1190019","created_at":"2022-09-04T14:48:06.218684Z","structure_string":"Lu4 Zn12\n1.0\n4.337761 0.000000 0.000000\n0.000000 6.606830 0.000000\n0.000000 0.000000 9.969089\nLu Zn\n4 12\ndirect\n0.250000 0.279730 0.664229 Lu\n0.250000 0.779730 0.835771 Lu\n0.750000 0.720270 0.335771 Lu\n0.750000 0.220270 0.164229 Lu\n0.250000 0.536222 0.103174 Zn\n0.250000 0.036222 0.396826 Zn\n0.750000 0.463778 0.896826 Zn\n0.750000 0.963778 0.603174 Zn\n0.250000 0.919283 0.148675 Zn\n0.250000 0.419283 0.351325 Zn\n0.750000 0.080717 0.851325 Zn\n0.750000 0.580717 0.648675 Zn\n0.250000 0.216736 0.957071 Zn\n0.250000 0.716736 0.542929 Zn\n0.750000 0.783264 0.042929 Zn\n0.750000 0.283264 0.457071 Zn\n","nsites":16,"nelements":2,"elements":["Lu","Zn"],"chemical_system":"Lu-Zn","density":8.62970224511157,"density_atomic":0.05600228630302145,"volume":285.7026213791697,"volume_molar":10.753383759039659,"formula_full":"Lu4 Zn12","formula_reduced":"LuZn3","formula_anonymous":"AB3","energy":-38.65023309,"energy_per_atom":-2.415639568125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.65023309,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0764738,"is_theoretical":false,"updated_at":"2021-11-28T01:38:31.158000Z","spacegroup":62},{"id":"mp-1304518","created_at":"2022-09-04T14:48:06.254223Z","structure_string":"Li10 Mn4 Fe6 O20\n1.0\n-1.109407 5.113572 -0.118917\n0.655975 -0.137060 14.313787\n5.137018 0.133788 0.037153\nLi Mn Fe O\n10 4 6 20\ndirect\n0.241457 0.250573 0.247798 Li\n0.754420 0.748010 0.754006 Li\n0.693105 0.208017 0.005072 Li\n0.190860 0.700762 0.517701 Li\n0.809525 0.300344 0.485215 Li\n0.309517 0.791453 0.996845 Li\n0.893884 0.389285 0.988384 Li\n0.411900 0.885922 0.490510 Li\n0.589259 0.113567 0.510797 Li\n0.108171 0.614717 0.003834 Li\n0.347442 0.345863 0.752742 Mn\n0.867887 0.845740 0.249157 Mn\n0.131832 0.154389 0.751957 Mn\n0.653859 0.653161 0.249062 Mn\n0.003395 0.501561 0.501938 Fe\n0.446464 0.446825 0.245058 Fe\n0.551271 0.554015 0.752729 Fe\n0.499913 0.000106 0.000445 Fe\n0.955469 0.944649 0.746403 Fe\n0.044371 0.055100 0.254368 Fe\n0.681031 0.427832 0.607520 O\n0.155456 0.926702 0.126046 O\n0.844693 0.074153 0.874569 O\n0.308442 0.567447 0.366378 O\n0.224360 0.463419 0.868190 O\n0.750661 0.967165 0.372864 O\n0.249136 0.033686 0.628032 O\n0.759699 0.528328 0.150111 O\n0.013444 0.262310 0.865469 O\n0.579422 0.778354 0.355508 O\n0.422917 0.221732 0.647485 O\n0.986696 0.738240 0.134092 O\n0.342407 0.119830 0.107831 O\n0.872792 0.623007 0.602664 O\n0.144341 0.378753 0.392856 O\n0.657591 0.880994 0.892909 O\n0.558403 0.330367 0.106579 O\n0.078169 0.833401 0.600462 O\n0.923082 0.167683 0.399150 O\n0.443259 0.672539 0.897262 O\n","nsites":40,"nelements":4,"elements":["Li","Mn","Fe","O"],"chemical_system":"Fe-Li-Mn-O","density":4.148873920615582,"density_atomic":0.10584439215893233,"volume":377.91326667488784,"volume_molar":5.689617217468979,"formula_full":"Li10 Mn4 Fe6 O20","formula_reduced":"Li5Mn2Fe3O10","formula_anonymous":"A2B3C5D10","energy":-285.15351903,"energy_per_atom":-7.12883797575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-251.20551903,"band_gap":0.0009000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9797753,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.270000Z","spacegroup":1},{"id":"mp-1245714","created_at":"2022-09-04T14:48:06.263836Z","structure_string":"Sr16 C8 N20\n1.0\n13.028210 0.000000 -0.309609\n0.000000 7.100832 0.000000\n-1.203652 0.000000 7.173408\nSr C N\n16 8 20\ndirect\n0.039355 0.769909 0.007477 Sr\n0.960645 0.269909 0.492523 Sr\n0.960645 0.230091 0.992523 Sr\n0.039355 0.730091 0.507477 Sr\n0.171819 0.094166 0.767985 Sr\n0.828181 0.594166 0.732015 Sr\n0.828181 0.905834 0.232015 Sr\n0.171819 0.405834 0.267985 Sr\n0.389148 0.159111 0.529286 Sr\n0.610852 0.659111 0.970714 Sr\n0.610852 0.840889 0.470714 Sr\n0.389148 0.340889 0.029286 Sr\n0.677925 0.176684 0.849617 Sr\n0.322075 0.676685 0.650383 Sr\n0.322075 0.823315 0.150383 Sr\n0.677925 0.323315 0.349617 Sr\n0.136296 0.492139 0.781804 C\n0.863704 0.992139 0.718196 C\n0.863704 0.507861 0.218196 C\n0.136296 0.007861 0.281804 C\n0.534804 0.481610 0.616341 C\n0.465196 0.981610 0.883659 C\n0.465196 0.518390 0.383659 C\n0.534804 0.018390 0.116341 C\n0.794032 0.085442 0.576808 N\n0.205968 0.585442 0.923192 N\n0.205968 0.914558 0.423192 N\n0.794032 0.414558 0.076808 N\n0.030226 0.477369 0.787057 N\n0.969774 0.977369 0.712943 N\n0.969774 0.522631 0.212943 N\n0.030226 0.022631 0.287057 N\n0.170497 0.420614 0.623420 N\n0.829503 0.920614 0.876580 N\n0.829503 0.579386 0.376580 N\n0.170497 0.079386 0.123420 N\n0.638350 0.509465 0.642785 N\n0.361650 0.009465 0.857215 N\n0.361650 0.490535 0.357215 N\n0.638350 0.990535 0.142785 N\n0.478995 0.432228 0.746129 N\n0.521005 0.932228 0.753871 N\n0.521005 0.567772 0.253871 N\n0.478995 0.067772 0.246129 N\n","nsites":44,"nelements":3,"elements":["Sr","C","N"],"chemical_system":"C-N-Sr","density":4.46715123772149,"density_atomic":0.06656844021688757,"volume":660.9738767596624,"volume_molar":9.046540283021773,"formula_full":"Sr16 C8 N20","formula_reduced":"Sr4C2N5","formula_anonymous":"A2B4C5","energy":-303.53665257,"energy_per_atom":-6.8985602856818184,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-296.31665257,"band_gap":1.0196999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011953,"is_theoretical":true,"updated_at":"2021-11-28T01:38:29.786000Z","spacegroup":14},{"id":"mp-557398","created_at":"2022-09-04T14:48:06.268931Z","structure_string":"Ca8 Fe8 Sb8 As16 O56\n1.0\n-8.224191 8.224191 5.458909\n8.224191 -8.224191 5.458909\n8.224191 8.224191 -5.458909\nCa Fe Sb As O\n8 8 8 16 56\ndirect\n0.798235 0.458319 0.960639 Ca\n0.708319 0.247680 0.160084 Ca\n0.162404 0.201765 0.660084 Ca\n0.541681 0.502320 0.339916 Ca\n0.451765 0.291681 0.539361 Ca\n0.752320 0.912404 0.460639 Ca\n0.087596 0.548235 0.839916 Ca\n0.497680 0.837596 0.039361 Ca\n0.359717 0.105076 0.728382 Fe\n0.376694 0.631335 0.271618 Fe\n0.368665 0.640283 0.745359 Fe\n0.355076 0.126694 0.245359 Fe\n0.881335 0.109717 0.754641 Fe\n0.890283 0.644924 0.771618 Fe\n0.894924 0.623306 0.254641 Fe\n0.873306 0.118665 0.228382 Fe\n0.935123 0.786234 0.500992 Sb\n0.285242 0.434132 0.499008 Sb\n0.314877 0.963766 0.999008 Sb\n0.565868 0.064877 0.851110 Sb\n0.964758 0.315868 0.000992 Sb\n0.684132 0.685123 0.648890 Sb\n0.213766 0.714758 0.148890 Sb\n0.036234 0.035242 0.351110 Sb\n0.269816 0.936193 0.431023 As\n0.526910 0.358549 0.038827 As\n0.930278 0.261917 0.538827 As\n0.088793 0.019816 0.833623 As\n0.738083 0.276910 0.668361 As\n0.505170 0.838793 0.568977 As\n0.063807 0.494830 0.333623 As\n0.511917 0.473090 0.831639 As\n0.186193 0.255170 0.166377 As\n0.744830 0.911207 0.931023 As\n0.723090 0.391451 0.461173 As\n0.608549 0.069722 0.331639 As\n0.980184 0.813807 0.068977 As\n0.319722 0.488083 0.961173 As\n0.641451 0.680278 0.168361 As\n0.161207 0.730184 0.666377 As\n0.582790 0.702447 0.277845 O\n0.730164 0.094008 0.456420 O\n0.297757 0.451615 0.661057 O\n0.755965 0.986397 0.069929 O\n0.701615 0.540558 0.653858 O\n0.363300 0.702243 0.153858 O\n0.072975 0.813487 0.392643 O\n0.333532 0.063964 0.569929 O\n0.741300 0.726857 0.515790 O\n0.936036 0.505965 0.269568 O\n0.273143 0.788933 0.014443 O\n0.013603 0.083532 0.769568 O\n0.519836 0.655992 0.043580 O\n0.886700 0.047757 0.346142 O\n0.554946 0.332790 0.380343 O\n0.696269 0.934512 0.634455 O\n0.612412 0.476256 0.956420 O\n0.829156 0.069668 0.892643 O\n0.695054 0.417210 0.119657 O\n0.667210 0.047553 0.222155 O\n0.186513 0.579156 0.259488 O\n0.637588 0.273744 0.543580 O\n0.494035 0.763603 0.430071 O\n0.825398 0.445054 0.777845 O\n0.949943 0.688186 0.134455 O\n0.976857 0.961067 0.485557 O\n0.211067 0.225510 0.484210 O\n0.184512 0.050057 0.738243 O\n0.774490 0.258700 0.985557 O\n0.523744 0.480164 0.136155 O\n0.508700 0.023143 0.984210 O\n0.063487 0.170844 0.240512 O\n0.065488 0.699943 0.761757 O\n0.344008 0.387588 0.863845 O\n0.236397 0.666468 0.730432 O\n0.319668 0.927025 0.740512 O\n0.952243 0.298385 0.838943 O\n0.938186 0.303731 0.238243 O\n0.311814 0.446269 0.261757 O\n0.459442 0.113300 0.161057 O\n0.177025 0.936513 0.107357 O\n0.790558 0.636700 0.338943 O\n0.475510 0.491300 0.514443 O\n0.930332 0.822975 0.759488 O\n0.553731 0.815488 0.865545 O\n0.424602 0.304946 0.722155 O\n0.300057 0.061814 0.365545 O\n0.905992 0.362412 0.636155 O\n0.916468 0.686036 0.930071 O\n0.420844 0.680332 0.607357 O\n0.952447 0.174602 0.619657 O\n0.297553 0.575398 0.880343 O\n0.548385 0.209442 0.846142 O\n0.726256 0.269836 0.363845 O\n0.038933 0.524490 0.015790 O\n0.313964 0.244035 0.230432 O\n","nsites":96,"nelements":5,"elements":["Ca","Fe","Sb","As","O"],"chemical_system":"As-Ca-Fe-O-Sb","density":4.313158318539214,"density_atomic":0.06500084631791894,"volume":1476.903847227839,"volume_molar":9.26471130936623,"formula_full":"Ca8 Fe8 Sb8 As16 O56","formula_reduced":"CaFeSbAs2O7","formula_anonymous":"ABCD2E7","energy":-648.3357096,"energy_per_atom":-6.753496975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-591.8157096,"band_gap":1.7991,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0023139,"is_theoretical":false,"updated_at":"2021-11-28T01:38:25.270000Z","spacegroup":88},{"id":"mp-560242","created_at":"2022-09-04T14:48:06.310360Z","structure_string":"Na4 Mn4 F12\n1.0\n5.619331 0.000000 0.000000\n0.000000 5.838772 0.000000\n0.000000 0.000000 8.123767\nNa Mn F\n4 4 12\ndirect\n0.484419 0.943131 0.250000 Na\n0.984419 0.556869 0.750000 Na\n0.015581 0.443131 0.250000 Na\n0.515581 0.056869 0.750000 Na\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.618838 0.553684 0.250000 F\n0.118838 0.946316 0.750000 F\n0.881162 0.053684 0.250000 F\n0.381162 0.446316 0.750000 F\n0.808382 0.304145 0.937111 F\n0.308382 0.195855 0.062889 F\n0.691618 0.804145 0.562889 F\n0.191618 0.695855 0.437111 F\n0.808382 0.304145 0.562889 F\n0.308382 0.195855 0.437111 F\n0.691618 0.804145 0.937111 F\n0.191618 0.695855 0.062889 F\n","nsites":20,"nelements":3,"elements":["Na","Mn","F"],"chemical_system":"F-Mn-Na","density":3.3622620974521995,"density_atomic":0.07503543519701933,"volume":266.5407343541931,"volume_molar":8.025729102773594,"formula_full":"Na4 Mn4 F12","formula_reduced":"NaMnF3","formula_anonymous":"ABC3","energy":-124.26237853,"energy_per_atom":-6.2131189265,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-112.04637853,"band_gap":2.7474000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":20.0000001,"is_theoretical":false,"updated_at":"2021-11-28T01:38:23.393000Z","spacegroup":62},{"id":"mp-21113","created_at":"2022-09-04T14:48:15.005488Z","structure_string":"Y1 Fe2 Ge2\n1.0\n-1.991334 1.991334 5.094202\n1.991334 -1.991334 5.094202\n1.991334 1.991334 -5.094202\nY Fe Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.628043 0.628043 0.000000 Ge\n0.371957 0.371957 0.000000 Ge\n","nsites":5,"nelements":3,"elements":["Y","Fe","Ge"],"chemical_system":"Fe-Ge-Y","density":7.107959844950806,"density_atomic":0.061879334329809486,"volume":80.80242061672149,"volume_molar":9.732071014052455,"formula_full":"Y1 Fe2 Ge2","formula_reduced":"Y(FeGe)2","formula_anonymous":"AB2C2","energy":-34.95128923,"energy_per_atom":-6.990257846,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.95128923,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.7067178,"is_theoretical":false,"updated_at":"2021-11-28T01:38:38.169000Z","spacegroup":139},{"id":"mp-1041240","created_at":"2022-09-04T14:48:06.244911Z","structure_string":"Sb6 P6 O26\n1.0\n6.719355 0.000000 0.000000\n0.000000 7.825800 0.000000\n0.000000 0.638882 11.389900\nSb P O\n6 6 26\ndirect\n0.250000 0.651039 0.201070 Sb\n0.750000 0.348961 0.798930 Sb\n0.250000 0.250844 0.469005 Sb\n0.500000 0.000000 0.000000 Sb\n0.750000 0.749156 0.530995 Sb\n0.000000 0.000000 0.000000 Sb\n0.250000 0.819704 0.472191 P\n0.750000 0.180296 0.527809 P\n0.250000 0.245153 0.771385 P\n0.750000 0.754847 0.228615 P\n0.750000 0.668369 0.881467 P\n0.250000 0.331631 0.118533 P\n0.750000 0.605047 0.749115 O\n0.566317 0.219874 0.452859 O\n0.250000 0.169135 0.649697 O\n0.558242 0.765295 0.905445 O\n0.750000 0.311066 0.629834 O\n0.750000 0.127872 0.887110 O\n0.250000 0.688934 0.370166 O\n0.058242 0.234705 0.094555 O\n0.250000 0.004754 0.412620 O\n0.750000 0.995246 0.587380 O\n0.061779 0.356688 0.791005 O\n0.250000 0.872128 0.112890 O\n0.561779 0.643312 0.208995 O\n0.750000 0.481696 0.945634 O\n0.750000 0.830865 0.350303 O\n0.441758 0.234705 0.094555 O\n0.933683 0.219874 0.452859 O\n0.433683 0.780126 0.547141 O\n0.438221 0.356688 0.791005 O\n0.250000 0.394953 0.250885 O\n0.750000 0.909758 0.133747 O\n0.250000 0.090242 0.866253 O\n0.938221 0.643312 0.208995 O\n0.941758 0.765295 0.905445 O\n0.066317 0.780126 0.547141 O\n0.250000 0.518304 0.054366 O\n","nsites":38,"nelements":3,"elements":["Sb","P","O"],"chemical_system":"O-P-Sb","density":3.694053940259232,"density_atomic":0.063446453964317,"volume":598.9302415761742,"volume_molar":9.491690053138225,"formula_full":"Sb6 P6 O26","formula_reduced":"Sb3P3O13","formula_anonymous":"A3B3C13","energy":-270.64992522,"energy_per_atom":-7.122366453157895,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-252.78792522,"band_gap":0.9878,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001063,"is_theoretical":true,"updated_at":"2021-11-28T01:38:25.926000Z","spacegroup":11},{"id":"mp-760787","created_at":"2022-09-04T14:48:06.246672Z","structure_string":"Li10 Mn2 V3 Cr3 O16\n1.0\n6.005165 0.000000 0.000000\n-2.984092 5.262095 0.000000\n-0.036260 -0.099854 9.986518\nLi Mn V Cr O\n10 2 3 3 16\ndirect\n0.985194 0.973352 0.514356 Li\n0.977401 0.985080 0.014551 Li\n0.649809 0.319245 0.225190 Li\n0.803726 0.189784 0.436401 Li\n0.786430 0.587676 0.440445 Li\n0.378280 0.191139 0.436836 Li\n0.319247 0.647014 0.724572 Li\n0.581826 0.780495 0.943078 Li\n0.182887 0.797388 0.937204 Li\n0.187492 0.375593 0.936247 Li\n0.655853 0.323495 0.976039 Mn\n0.322530 0.658799 0.474309 Mn\n0.820185 0.150063 0.713759 V\n0.325767 0.151182 0.712352 V\n0.152798 0.325421 0.213194 V\n0.820693 0.647741 0.714588 Cr\n0.648824 0.821663 0.214678 Cr\n0.151645 0.821889 0.213509 Cr\n0.823901 0.672128 0.099113 O\n0.976771 0.475882 0.828276 O\n0.823682 0.146814 0.102267 O\n0.652379 0.322829 0.595750 O\n0.497140 0.482916 0.829600 O\n0.297640 0.146198 0.099025 O\n0.496975 0.997567 0.828772 O\n0.670328 0.823967 0.601102 O\n0.479351 0.978112 0.329836 O\n0.480257 0.496206 0.327053 O\n0.320952 0.663267 0.097128 O\n0.142468 0.814670 0.600528 O\n0.999079 0.497473 0.326813 O\n0.141097 0.293438 0.596074 O\n0.982056 0.983331 0.327288 O\n0.994855 0.980310 0.827495 O\n","nsites":34,"nelements":5,"elements":["Li","Mn","V","Cr","O"],"chemical_system":"Cr-Li-Mn-O-V","density":3.9154026712505656,"density_atomic":0.10774104877937135,"volume":315.5714593944979,"volume_molar":5.589458083271443,"formula_full":"Li10 Mn2 V3 Cr3 O16","formula_reduced":"Li10Mn2V3Cr3O16","formula_anonymous":"A2B3C3D10E16","energy":-249.99796356,"energy_per_atom":-7.3528812811764706,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-224.57296356,"band_gap":1.8132999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":25.000081,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.178000Z","spacegroup":1},{"id":"mp-768991","created_at":"2022-09-04T14:48:06.266109Z","structure_string":"Li8 Bi4 C8 S2 O32\n1.0\n0.000000 6.962180 7.584835\n6.599187 0.000000 7.584835\n6.599187 6.962180 0.000000\nLi Bi C S O\n8 4 8 2 32\ndirect\n0.939937 0.560063 0.939937 Li\n0.947855 0.552145 0.552145 Li\n0.697855 0.302145 0.302145 Li\n0.689937 0.310063 0.689937 Li\n0.560063 0.939937 0.560063 Li\n0.552145 0.947855 0.947855 Li\n0.302145 0.697855 0.697855 Li\n0.310063 0.689937 0.310063 Li\n0.125000 0.625000 0.125000 Bi\n0.625000 0.125000 0.125000 Bi\n0.125000 0.125000 0.125000 Bi\n0.125000 0.125000 0.625000 Bi\n0.874681 0.305879 0.916986 C\n0.944121 0.375319 0.347545 C\n0.916986 0.902455 0.874681 C\n0.902455 0.916986 0.305879 C\n0.347545 0.333014 0.944121 C\n0.333014 0.347545 0.375319 C\n0.305879 0.874681 0.902455 C\n0.375319 0.944121 0.333014 C\n0.500000 0.500000 0.500000 S\n0.750000 0.750000 0.750000 S\n0.998644 0.312548 0.914529 O\n0.557066 0.550380 0.315344 O\n0.756334 0.293327 0.053328 O\n0.956673 0.493666 0.352990 O\n0.053328 0.897010 0.756334 O\n0.942807 0.375486 0.212155 O\n0.315344 0.577209 0.557066 O\n0.550380 0.557066 0.577209 O\n0.469551 0.212155 0.375486 O\n0.897010 0.053328 0.293327 O\n0.937452 0.251356 0.475721 O\n0.577209 0.315344 0.550380 O\n0.914529 0.774279 0.998644 O\n0.774279 0.914529 0.312548 O\n0.874514 0.307193 0.780449 O\n0.212155 0.469551 0.942807 O\n0.037845 0.780449 0.307193 O\n0.375486 0.942807 0.469551 O\n0.475721 0.335471 0.937452 O\n0.335471 0.475721 0.251356 O\n0.672791 0.934656 0.699620 O\n0.312548 0.998644 0.774279 O\n0.352990 0.196672 0.956673 O\n0.780449 0.037845 0.874514 O\n0.699620 0.692934 0.672791 O\n0.934656 0.672791 0.692934 O\n0.307193 0.874514 0.037845 O\n0.196672 0.352990 0.493666 O\n0.293327 0.756334 0.897010 O\n0.493666 0.956673 0.196672 O\n0.692934 0.699620 0.934656 O\n0.251356 0.937452 0.335471 O\n","nsites":54,"nelements":5,"elements":["Li","Bi","C","S","O"],"chemical_system":"Bi-C-Li-O-S","density":3.725424102453774,"density_atomic":0.0774786320270076,"volume":696.9663581718455,"volume_molar":7.7726472479545,"formula_full":"Li8 Bi4 C8 S2 O32","formula_reduced":"Li4Bi2C4SO16","formula_anonymous":"AB2C4D4E16","energy":-376.4620557,"energy_per_atom":-6.97151955,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-354.4780557,"band_gap":1.9868,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:38:25.800000Z","spacegroup":70}]}