{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=10221","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=10219","results":[{"id":"mp-1110721","created_at":"2022-09-04T14:48:28.816707Z","structure_string":"Rb2 Nd1 Cu1 Br6\n1.0\n0.000000 5.577750 5.577750\n5.577750 0.000000 5.577750\n5.577750 5.577750 0.000000\nRb Nd Cu Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Cu\n0.758630 0.241370 0.241370 Br\n0.241370 0.241370 0.758630 Br\n0.241370 0.758630 0.758630 Br\n0.241370 0.758630 0.241370 Br\n0.758630 0.241370 0.758630 Br\n0.758630 0.758630 0.241370 Br\n","nsites":10,"nelements":4,"elements":["Rb","Nd","Cu","Br"],"chemical_system":"Br-Cu-Nd-Rb","density":4.10585832190831,"density_atomic":0.02881329128426629,"volume":347.06205206971873,"volume_molar":20.900565300182954,"formula_full":"Rb2 Nd1 Cu1 Br6","formula_reduced":"Rb2NdCuBr6","formula_anonymous":"ABC2D6","energy":-38.69573776,"energy_per_atom":-3.869573776,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.49173776,"band_gap":2.2883000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004828,"is_theoretical":true,"updated_at":"2021-11-28T01:39:45.886000Z","spacegroup":225},{"id":"mp-1110688","created_at":"2022-09-04T14:46:16.329342Z","structure_string":"Rb2 Nd1 Cu1 Cl6\n1.0\n0.000000 5.293452 5.293452\n5.293452 0.000000 5.293452\n5.293452 5.293452 0.000000\nRb Nd Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Cu\n0.757954 0.242046 0.242046 Cl\n0.242046 0.242046 0.757954 Cl\n0.242046 0.757954 0.757954 Cl\n0.242046 0.757954 0.242046 Cl\n0.757954 0.242046 0.757954 Cl\n0.757954 0.757954 0.242046 Cl\n","nsites":10,"nelements":4,"elements":["Rb","Nd","Cu","Cl"],"chemical_system":"Cl-Cu-Nd-Rb","density":3.310655809121908,"density_atomic":0.03370955863999709,"volume":296.6517629849592,"volume_molar":17.864786733975823,"formula_full":"Rb2 Nd1 Cu1 Cl6","formula_reduced":"Rb2NdCuCl6","formula_anonymous":"ABC2D6","energy":-43.0626686,"energy_per_atom":-4.30626686,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.3786686,"band_gap":2.4344,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022898,"is_theoretical":true,"updated_at":"2021-11-28T01:37:28.924000Z","spacegroup":225},{"id":"mp-1110660","created_at":"2022-09-04T14:39:44.705411Z","structure_string":"Rb2 Nd1 Cu1 F6\n1.0\n6.443258 -0.000000 -0.000000\n3.221629 5.580025 -0.000000\n3.221629 1.860008 5.260898\nRb Nd Cu F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Cu\n0.250198 0.749802 0.250198 F\n0.749802 0.749802 0.250198 F\n0.749802 0.250198 0.749802 F\n0.749802 0.250198 0.250198 F\n0.250198 0.749802 0.749802 F\n0.250198 0.250198 0.749802 F\n","nsites":10,"nelements":4,"elements":["Rb","Nd","Cu","F"],"chemical_system":"Cu-F-Nd-Rb","density":4.325561278954011,"density_atomic":0.052868678141457494,"volume":189.14791047439488,"volume_molar":11.390753413366843,"formula_full":"Rb2 Nd1 Cu1 F6","formula_reduced":"Rb2NdCuF6","formula_anonymous":"ABC2D6","energy":-53.20824795,"energy_per_atom":-5.320824795,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.43624795,"band_gap":0.6911999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.297000Z","spacegroup":225},{"id":"mp-1110764","created_at":"2022-09-04T14:39:21.747774Z","structure_string":"Rb2 Nd1 Cu1 I6\n1.0\n0.000000 5.989462 5.989462\n5.989462 0.000000 5.989462\n5.989462 5.989462 0.000000\nRb Nd Cu I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Cu\n0.759662 0.240338 0.240338 I\n0.240338 0.240338 0.759662 I\n0.240338 0.759662 0.759662 I\n0.240338 0.759662 0.240338 I\n0.759662 0.240338 0.759662 I\n0.759662 0.759662 0.240338 I\n","nsites":10,"nelements":4,"elements":["Rb","Nd","Cu","I"],"chemical_system":"Cu-I-Nd-Rb","density":4.405729323419465,"density_atomic":0.023270545429663964,"volume":429.72778743950585,"volume_molar":25.878812244440642,"formula_full":"Rb2 Nd1 Cu1 I6","formula_reduced":"Rb2NdCuI6","formula_anonymous":"ABC2D6","energy":-33.52640476,"energy_per_atom":-3.352640476,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.25240476,"band_gap":1.8116,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001845,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.868000Z","spacegroup":225},{"id":"mp-10834","created_at":"2022-09-04T14:46:22.541354Z","structure_string":"Rb2 Nd4 Cu2 S8\n1.0\n2.048045 -7.083486 0.000000\n2.048045 7.083486 0.000000\n0.000000 0.000000 14.081777\nRb Nd Cu S\n2 4 2 8\ndirect\n0.105949 0.894051 0.250000 Rb\n0.894051 0.105949 0.750000 Rb\n0.634457 0.365543 0.938514 Nd\n0.365543 0.634457 0.438514 Nd\n0.634457 0.365543 0.561486 Nd\n0.365543 0.634457 0.061486 Nd\n0.164650 0.835350 0.750000 Cu\n0.835350 0.164650 0.250000 Cu\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.424202 0.575798 0.250000 S\n0.575798 0.424202 0.750000 S\n0.740006 0.259994 0.387227 S\n0.259994 0.740006 0.887227 S\n0.259994 0.740006 0.612773 S\n0.740006 0.259994 0.112773 S\n","nsites":16,"nelements":4,"elements":["Rb","Nd","Cu","S"],"chemical_system":"Cu-Nd-Rb-S","density":4.598706051804374,"density_atomic":0.03916029815924802,"volume":408.57707300733284,"volume_molar":15.378179030993467,"formula_full":"Rb2 Nd4 Cu2 S8","formula_reduced":"RbNd2CuS4","formula_anonymous":"ABC2D4","energy":-92.27079856,"energy_per_atom":-5.76692491,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.24679856,"band_gap":0.9387999999999996,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0046336,"is_theoretical":false,"updated_at":"2021-11-28T01:37:30.435000Z","spacegroup":63},{"id":"mp-1200745","created_at":"2022-09-04T14:45:08.773864Z","structure_string":"Rb4 Nd4 Mo8 O32\n1.0\n5.265493 0.000000 0.000000\n0.000000 8.435246 0.000000\n0.000000 0.000000 18.993621\nRb Nd Mo O\n4 4 8 32\ndirect\n0.500000 0.250000 0.731290 Rb\n0.000000 0.750000 0.768710 Rb\n0.500000 0.750000 0.268710 Rb\n0.000000 0.250000 0.231290 Rb\n0.000000 0.250000 0.992759 Nd\n0.500000 0.750000 0.507241 Nd\n0.000000 0.750000 0.007241 Nd\n0.500000 0.250000 0.492759 Nd\n0.523854 0.981134 0.898976 Mo\n0.976146 0.481134 0.601024 Mo\n0.023854 0.018866 0.601024 Mo\n0.476146 0.518866 0.898976 Mo\n0.476146 0.018866 0.101024 Mo\n0.023854 0.518866 0.398976 Mo\n0.976146 0.981134 0.398976 Mo\n0.523854 0.481134 0.101024 Mo\n0.727617 0.151970 0.899985 O\n0.772383 0.651970 0.600015 O\n0.227617 0.848030 0.600015 O\n0.272383 0.348030 0.899985 O\n0.272383 0.848030 0.100015 O\n0.227617 0.348030 0.399985 O\n0.772383 0.151970 0.399985 O\n0.727617 0.651970 0.100015 O\n0.736459 0.812263 0.908709 O\n0.763541 0.312263 0.591291 O\n0.236459 0.187737 0.591291 O\n0.263541 0.687737 0.908709 O\n0.263541 0.187737 0.091291 O\n0.236459 0.687737 0.408709 O\n0.763541 0.812263 0.408709 O\n0.736459 0.312263 0.091291 O\n0.256776 0.004331 0.962626 O\n0.243224 0.504331 0.537374 O\n0.756776 0.995669 0.537374 O\n0.743224 0.495669 0.962626 O\n0.743224 0.995669 0.037374 O\n0.756776 0.495669 0.462626 O\n0.243224 0.004331 0.462626 O\n0.256776 0.504331 0.037374 O\n0.401944 0.973437 0.812993 O\n0.098056 0.473437 0.687007 O\n0.901944 0.026563 0.687007 O\n0.598056 0.526563 0.812993 O\n0.598056 0.026563 0.187007 O\n0.901944 0.526563 0.312993 O\n0.098056 0.973437 0.312993 O\n0.401944 0.473437 0.187007 O\n","nsites":48,"nelements":4,"elements":["Rb","Nd","Mo","O"],"chemical_system":"Mo-Nd-O-Rb","density":4.3271245858743255,"density_atomic":0.056897957588792666,"volume":843.615518625482,"volume_molar":10.584107084339697,"formula_full":"Rb4 Nd4 Mo8 O32","formula_reduced":"RbNd(MoO4)2","formula_anonymous":"ABC2D8","energy":-389.63470592,"energy_per_atom":-8.117389706666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-342.03470592,"band_gap":3.6992,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007049,"is_theoretical":false,"updated_at":"2021-11-28T01:36:56.312000Z","spacegroup":60},{"id":"mp-1209247","created_at":"2022-09-04T14:43:14.044156Z","structure_string":"Rb2 Nd2 Mo4 O16\n1.0\n5.374757 5.482428 0.000000\n-5.374757 5.482428 0.000000\n0.000000 5.215230 5.940084\nRb Nd Mo O\n2 2 4 16\ndirect\n0.199479 0.800521 0.750000 Rb\n0.800521 0.199479 0.250000 Rb\n0.770125 0.229875 0.750000 Nd\n0.229875 0.770125 0.250000 Nd\n0.692938 0.695476 0.762208 Mo\n0.307062 0.304524 0.237792 Mo\n0.304524 0.307062 0.737792 Mo\n0.695476 0.692938 0.262208 Mo\n0.616241 0.763671 0.563519 O\n0.383759 0.236329 0.436481 O\n0.236329 0.383759 0.936481 O\n0.763671 0.616241 0.063519 O\n0.384674 0.074224 0.868488 O\n0.615326 0.925776 0.131512 O\n0.925776 0.615326 0.631512 O\n0.074224 0.384674 0.368488 O\n0.581026 0.369329 0.974611 O\n0.418974 0.630671 0.025389 O\n0.630671 0.418974 0.525389 O\n0.369329 0.581026 0.474611 O\n0.793075 0.946029 0.691482 O\n0.206925 0.053971 0.308518 O\n0.053971 0.206925 0.808518 O\n0.946029 0.793075 0.191482 O\n","nsites":24,"nelements":4,"elements":["Rb","Nd","Mo","O"],"chemical_system":"Mo-Nd-O-Rb","density":5.213862947165286,"density_atomic":0.06855780252087337,"volume":350.0695634562218,"volume_molar":8.784034112187998,"formula_full":"Rb2 Nd2 Mo4 O16","formula_reduced":"RbNd(MoO4)2","formula_anonymous":"ABC2D8","energy":-194.25741528000003,"energy_per_atom":-8.09405897,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-170.45741528,"band_gap":3.3109,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001398,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.201000Z","spacegroup":15},{"id":"mp-667380","created_at":"2022-09-04T14:44:00.105525Z","structure_string":"Rb12 Nd8 N36 O108\n1.0\n13.918758 0.000000 0.000000\n0.000000 13.918758 0.000000\n0.000000 0.000000 13.918758\nRb Nd N O\n12 8 36 108\ndirect\n0.875000 0.804025 0.554025 Rb\n0.554025 0.875000 0.804025 Rb\n0.304025 0.945975 0.125000 Rb\n0.945975 0.125000 0.304025 Rb\n0.695975 0.445975 0.375000 Rb\n0.125000 0.304025 0.945975 Rb\n0.054025 0.625000 0.195975 Rb\n0.804025 0.554025 0.875000 Rb\n0.195975 0.054025 0.625000 Rb\n0.375000 0.695975 0.445975 Rb\n0.445975 0.375000 0.695975 Rb\n0.625000 0.195975 0.054025 Rb\n0.444398 0.555602 0.055602 Nd\n0.305602 0.305602 0.305602 Nd\n0.555602 0.055602 0.444398 Nd\n0.944398 0.944398 0.944398 Nd\n0.805602 0.194398 0.694398 Nd\n0.694398 0.805602 0.194398 Nd\n0.194398 0.694398 0.805602 Nd\n0.055602 0.444398 0.555602 Nd\n0.732808 0.875000 0.982808 N\n0.075850 0.861357 0.095349 N\n0.361357 0.404651 0.924150 N\n0.325850 0.845349 0.888643 N\n0.345349 0.611357 0.674150 N\n0.875000 0.982808 0.732808 N\n0.674150 0.345349 0.611357 N\n0.625000 0.017192 0.232808 N\n0.638643 0.904651 0.575850 N\n0.482808 0.767192 0.125000 N\n0.138643 0.595349 0.424150 N\n0.017192 0.232808 0.625000 N\n0.845349 0.888643 0.325850 N\n0.375000 0.517192 0.267192 N\n0.125000 0.482808 0.767192 N\n0.174150 0.154651 0.388643 N\n0.904651 0.575850 0.638643 N\n0.404651 0.924150 0.361357 N\n0.924150 0.361357 0.404651 N\n0.982808 0.732808 0.875000 N\n0.654651 0.111357 0.825850 N\n0.517192 0.267192 0.375000 N\n0.095349 0.075850 0.861357 N\n0.767192 0.125000 0.482808 N\n0.611357 0.674150 0.345349 N\n0.888643 0.325850 0.845349 N\n0.232808 0.625000 0.017192 N\n0.575850 0.638643 0.904651 N\n0.154651 0.388643 0.174150 N\n0.388643 0.174150 0.154651 N\n0.825850 0.654651 0.111357 N\n0.267192 0.375000 0.517192 N\n0.595349 0.424150 0.138643 N\n0.861357 0.095349 0.075850 N\n0.424150 0.138643 0.595349 N\n0.111357 0.825850 0.654651 N\n0.842784 0.630027 0.673535 O\n0.423535 0.119973 0.092784 O\n0.925290 0.243506 0.826917 O\n0.453750 0.899854 0.435519 O\n0.245245 0.403818 0.599828 O\n0.006494 0.324710 0.423083 O\n0.130027 0.826465 0.157216 O\n0.150172 0.653818 0.995245 O\n0.849828 0.153818 0.504755 O\n0.375000 0.451627 0.201627 O\n0.064481 0.546250 0.399854 O\n0.953750 0.600146 0.564481 O\n0.173083 0.425290 0.256494 O\n0.592784 0.076465 0.880027 O\n0.326917 0.574710 0.756494 O\n0.403818 0.599828 0.245245 O\n0.074710 0.743506 0.673083 O\n0.092784 0.423535 0.119973 O\n0.495245 0.349828 0.346182 O\n0.399854 0.064481 0.546250 O\n0.576465 0.619973 0.407216 O\n0.673083 0.074710 0.743506 O\n0.796250 0.814481 0.350146 O\n0.425290 0.256494 0.173083 O\n0.814481 0.350146 0.796250 O\n0.493506 0.675290 0.923083 O\n0.423083 0.006494 0.324710 O\n0.548373 0.701627 0.125000 O\n0.099828 0.254755 0.596182 O\n0.175290 0.576917 0.506494 O\n0.400172 0.745245 0.096182 O\n0.576917 0.506494 0.175290 O\n0.650172 0.846182 0.004755 O\n0.625000 0.951627 0.298373 O\n0.564481 0.953750 0.600146 O\n0.869973 0.326465 0.342784 O\n0.153818 0.504755 0.849828 O\n0.875000 0.048373 0.798373 O\n0.380027 0.907216 0.923535 O\n0.506494 0.175290 0.576917 O\n0.369973 0.173535 0.657216 O\n0.600146 0.564481 0.953750 O\n0.899854 0.435519 0.453750 O\n0.157216 0.130027 0.826465 O\n0.630027 0.673535 0.842784 O\n0.407216 0.576465 0.619973 O\n0.993506 0.824710 0.076917 O\n0.675290 0.923083 0.493506 O\n0.619973 0.407216 0.576465 O\n0.349828 0.346182 0.495245 O\n0.048373 0.798373 0.875000 O\n0.076917 0.993506 0.824710 O\n0.907216 0.923535 0.380027 O\n0.824710 0.076917 0.993506 O\n0.703750 0.185519 0.850146 O\n0.935519 0.046250 0.100146 O\n0.826465 0.157216 0.130027 O\n0.599828 0.245245 0.403818 O\n0.701627 0.125000 0.548373 O\n0.342784 0.869973 0.326465 O\n0.203750 0.314481 0.149854 O\n0.185519 0.850146 0.703750 O\n0.649854 0.296250 0.685519 O\n0.451627 0.201627 0.375000 O\n0.119973 0.092784 0.423535 O\n0.756494 0.326917 0.574710 O\n0.995245 0.150172 0.653818 O\n0.296250 0.685519 0.649854 O\n0.004755 0.650172 0.846182 O\n0.504755 0.849828 0.153818 O\n0.346182 0.495245 0.349828 O\n0.546250 0.399854 0.064481 O\n0.798373 0.875000 0.048373 O\n0.125000 0.548373 0.701627 O\n0.903818 0.900172 0.754755 O\n0.923083 0.493506 0.675290 O\n0.900172 0.754755 0.903818 O\n0.850146 0.703750 0.185519 O\n0.657216 0.369973 0.173535 O\n0.350146 0.796250 0.814481 O\n0.743506 0.673083 0.074710 O\n0.201627 0.375000 0.451627 O\n0.826917 0.925290 0.243506 O\n0.173535 0.657216 0.369973 O\n0.149854 0.203750 0.314481 O\n0.673535 0.842784 0.630027 O\n0.298373 0.625000 0.951627 O\n0.435519 0.453750 0.899854 O\n0.596182 0.099828 0.254755 O\n0.880027 0.592784 0.076465 O\n0.745245 0.096182 0.400172 O\n0.314481 0.149854 0.203750 O\n0.923535 0.380027 0.907216 O\n0.685519 0.649854 0.296250 O\n0.243506 0.826917 0.925290 O\n0.951627 0.298373 0.625000 O\n0.754755 0.903818 0.900172 O\n0.574710 0.756494 0.326917 O\n0.653818 0.995245 0.150172 O\n0.254755 0.596182 0.099828 O\n0.096182 0.400172 0.745245 O\n0.324710 0.423083 0.006494 O\n0.256494 0.173083 0.425290 O\n0.046250 0.100146 0.935519 O\n0.326465 0.342784 0.869973 O\n0.846182 0.004755 0.650172 O\n0.076465 0.880027 0.592784 O\n0.100146 0.935519 0.046250 O\n","nsites":164,"nelements":4,"elements":["Rb","Nd","N","O"],"chemical_system":"N-Nd-O-Rb","density":2.7167906709607785,"density_atomic":0.060819437064497654,"volume":2696.506378809157,"volume_molar":9.901671325260137,"formula_full":"Rb12 Nd8 N36 O108","formula_reduced":"Rb3Nd2(NO3)9","formula_anonymous":"A2B3C9D27","energy":-1125.56552327,"energy_per_atom":-6.863204410182927,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1051.36952327,"band_gap":3.3452,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0025538,"is_theoretical":false,"updated_at":"2021-11-28T01:36:11.444000Z","spacegroup":212},{"id":"mp-1201325","created_at":"2022-09-04T14:39:46.221514Z","structure_string":"Rb10 Nd4 N22 O68\n1.0\n7.453995 8.012821 0.000000\n-7.453995 8.012821 0.000000\n0.000000 4.546089 13.838578\nRb Nd N O\n10 4 22 68\ndirect\n0.366256 0.633744 0.750000 Rb\n0.633744 0.366256 0.250000 Rb\n0.895572 0.734284 0.765974 Rb\n0.265716 0.104428 0.734026 Rb\n0.104428 0.265716 0.234026 Rb\n0.734284 0.895572 0.265974 Rb\n0.787548 0.557583 0.528430 Rb\n0.442417 0.212452 0.971570 Rb\n0.212452 0.442417 0.471570 Rb\n0.557583 0.787548 0.028430 Rb\n0.707056 0.110945 0.618410 Nd\n0.889055 0.292944 0.881590 Nd\n0.292944 0.889055 0.381590 Nd\n0.110945 0.707056 0.118410 Nd\n0.112954 0.427996 0.733022 N\n0.572004 0.887046 0.766978 N\n0.887046 0.572004 0.266978 N\n0.427996 0.112954 0.233022 N\n0.075895 0.735834 0.524878 N\n0.264166 0.924105 0.975122 N\n0.924105 0.264166 0.475122 N\n0.735834 0.075895 0.024878 N\n0.901685 0.098315 0.750000 N\n0.098315 0.901685 0.250000 N\n0.250929 0.533098 0.991353 N\n0.466902 0.749071 0.508647 N\n0.749071 0.466902 0.008647 N\n0.533098 0.250929 0.491353 N\n0.227559 0.091863 0.496577 N\n0.908137 0.772441 0.003423 N\n0.772441 0.908137 0.503423 N\n0.091863 0.227559 0.996577 N\n0.707561 0.472959 0.779594 N\n0.527041 0.292439 0.720406 N\n0.292439 0.527041 0.220406 N\n0.472959 0.707561 0.279594 N\n0.066160 0.330234 0.720679 O\n0.669766 0.933840 0.779321 O\n0.933840 0.669766 0.279321 O\n0.330234 0.066160 0.220679 O\n0.060658 0.469319 0.808206 O\n0.530681 0.939342 0.691794 O\n0.939342 0.530681 0.191794 O\n0.469319 0.060658 0.308206 O\n0.205776 0.479759 0.674121 O\n0.520241 0.794224 0.825879 O\n0.794224 0.520241 0.325879 O\n0.479759 0.205776 0.174121 O\n0.865698 0.289891 0.555838 O\n0.710109 0.134302 0.944162 O\n0.134302 0.710109 0.444162 O\n0.289891 0.865698 0.055838 O\n0.096160 0.840968 0.540322 O\n0.159032 0.903840 0.959678 O\n0.903840 0.159032 0.459678 O\n0.840968 0.096160 0.040322 O\n0.003619 0.657548 0.584929 O\n0.342452 0.996381 0.915071 O\n0.996381 0.342452 0.415071 O\n0.657548 0.003619 0.084929 O\n0.912627 0.027881 0.690974 O\n0.972119 0.087373 0.809026 O\n0.087373 0.972119 0.309026 O\n0.027881 0.912627 0.190974 O\n0.815755 0.184245 0.750000 O\n0.184245 0.815755 0.250000 O\n0.493614 0.174566 0.571942 O\n0.825434 0.506386 0.928058 O\n0.506386 0.825434 0.428058 O\n0.174566 0.493614 0.071942 O\n0.348238 0.736129 0.536918 O\n0.263871 0.651762 0.963082 O\n0.651762 0.263871 0.463082 O\n0.736129 0.348238 0.036918 O\n0.309973 0.459388 0.942415 O\n0.540612 0.690027 0.557585 O\n0.690027 0.540612 0.057585 O\n0.459388 0.309973 0.442415 O\n0.001704 0.703796 0.974689 O\n0.296204 0.998296 0.525311 O\n0.998296 0.296204 0.025311 O\n0.703796 0.001704 0.474689 O\n0.795632 0.896574 0.587624 O\n0.103426 0.204368 0.912376 O\n0.204368 0.103426 0.412376 O\n0.896574 0.795632 0.087624 O\n0.183710 0.168184 0.547855 O\n0.831816 0.816290 0.952145 O\n0.816290 0.831816 0.452145 O\n0.168184 0.183710 0.047855 O\n0.613858 0.337115 0.648190 O\n0.662885 0.386142 0.851810 O\n0.386142 0.662885 0.351810 O\n0.337115 0.613858 0.148190 O\n0.534207 0.173930 0.756863 O\n0.826070 0.465793 0.743137 O\n0.465793 0.826070 0.243137 O\n0.173930 0.534207 0.256863 O\n0.642387 0.562102 0.745505 O\n0.437898 0.357613 0.754495 O\n0.357613 0.437898 0.254495 O\n0.562102 0.642387 0.245505 O\n0.156062 0.843938 0.750000 O\n0.843938 0.156062 0.250000 O\n","nsites":104,"nelements":4,"elements":["Rb","Nd","N","O"],"chemical_system":"N-Nd-O-Rb","density":2.840498132354565,"density_atomic":0.06291255738202287,"volume":1653.0881008140004,"volume_molar":9.572239645945174,"formula_full":"Rb10 Nd4 N22 O68","formula_reduced":"Rb5Nd2N11O34","formula_anonymous":"A2B5C11D34","energy":-693.60857116,"energy_per_atom":-6.669313184230769,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-646.89257116,"band_gap":0.1945,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.883828,"is_theoretical":false,"updated_at":"2021-11-28T01:34:37.275000Z","spacegroup":15},{"id":"mp-1205498","created_at":"2022-09-04T14:45:19.871637Z","structure_string":"Rb1 Nd1 Nb2 O7\n1.0\n3.923874 0.000000 0.000000\n0.000000 3.923874 0.000000\n0.000000 0.000000 11.372534\nRb Nd Nb O\n1 1 2 7\ndirect\n0.500000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Nd\n0.000000 0.000000 0.199835 Nb\n0.000000 0.000000 0.800165 Nb\n0.000000 0.500000 0.159742 O\n0.000000 0.500000 0.840258 O\n0.500000 0.000000 0.159742 O\n0.500000 0.000000 0.840258 O\n0.000000 0.000000 0.359054 O\n0.000000 0.000000 0.640946 O\n0.000000 0.000000 0.000000 O\n","nsites":11,"nelements":4,"elements":["Rb","Nd","Nb","O"],"chemical_system":"Nb-Nd-O-Rb","density":5.00264086841406,"density_atomic":0.06282107079818441,"volume":175.10048555743353,"volume_molar":9.586179737920107,"formula_full":"Rb1 Nd1 Nb2 O7","formula_reduced":"RbNdNb2O7","formula_anonymous":"ABC2D7","energy":-95.14607895999998,"energy_per_atom":-8.64964354181818,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.33707896,"band_gap":1.2836,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027796,"is_theoretical":true,"updated_at":"2021-11-28T01:37:01.655000Z","spacegroup":123},{"id":"mp-17661","created_at":"2022-09-04T14:41:51.555899Z","structure_string":"Rb2 Nd2 P8 O24\n1.0\n6.546075 4.033157 0.000000\n-6.546075 4.033157 0.000000\n0.000000 3.902714 10.093302\nRb Nd P O\n2 2 8 24\ndirect\n0.307489 0.692511 0.250000 Rb\n0.692511 0.307489 0.750000 Rb\n0.622798 0.377202 0.250000 Nd\n0.377202 0.622798 0.750000 Nd\n0.805489 0.751954 0.450502 P\n0.248046 0.194511 0.049498 P\n0.194511 0.248046 0.549497 P\n0.751954 0.805489 0.950503 P\n0.206769 0.880674 0.511016 P\n0.119326 0.793231 0.988984 P\n0.793231 0.119326 0.488984 P\n0.880674 0.206769 0.011016 P\n0.640808 0.664079 0.090619 O\n0.335921 0.359192 0.409381 O\n0.359192 0.335921 0.909381 O\n0.664079 0.640808 0.590619 O\n0.330304 0.248462 0.159331 O\n0.751538 0.669696 0.340669 O\n0.669696 0.751538 0.840669 O\n0.248462 0.330304 0.659331 O\n0.011182 0.142401 0.089779 O\n0.857599 0.988818 0.410221 O\n0.988818 0.857599 0.910221 O\n0.142401 0.011182 0.589779 O\n0.295010 0.810873 0.888124 O\n0.189127 0.704990 0.611877 O\n0.704990 0.189127 0.111876 O\n0.810873 0.295010 0.388124 O\n0.014162 0.399213 0.895599 O\n0.600787 0.985838 0.604401 O\n0.985838 0.600787 0.104401 O\n0.399213 0.014162 0.395599 O\n0.778602 0.027380 0.944927 O\n0.972620 0.221398 0.555073 O\n0.221398 0.972620 0.055073 O\n0.027380 0.778602 0.444927 O\n","nsites":36,"nelements":4,"elements":["Rb","Nd","P","O"],"chemical_system":"Nd-O-P-Rb","density":3.399869237548047,"density_atomic":0.06754809914087234,"volume":532.9535613566502,"volume_molar":8.915337125091789,"formula_full":"Rb2 Nd2 P8 O24","formula_reduced":"RbNd(PO3)4","formula_anonymous":"ABC4D12","energy":-278.55222045,"energy_per_atom":-7.737561679166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-262.06422045,"band_gap":5.284000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.62e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:26.818000Z","spacegroup":15},{"id":"mp-540611","created_at":"2022-09-04T14:46:58.327031Z","structure_string":"Rb4 Nd4 P16 O48\n1.0\n9.170618 0.000000 0.000000\n0.000000 10.646891 0.000000\n0.000000 7.500671 10.694775\nRb Nd P O\n4 4 16 48\ndirect\n0.070848 0.759399 0.041469 Rb\n0.570848 0.240601 0.458531 Rb\n0.929152 0.240601 0.958531 Rb\n0.429152 0.759399 0.541469 Rb\n0.726738 0.684602 0.815918 Nd\n0.226738 0.315398 0.684082 Nd\n0.273262 0.315398 0.184082 Nd\n0.773262 0.684602 0.315918 Nd\n0.972547 0.026158 0.724691 P\n0.472547 0.973842 0.775309 P\n0.027453 0.973842 0.275309 P\n0.527453 0.026158 0.224691 P\n0.172829 0.679860 0.359003 P\n0.672829 0.320140 0.140997 P\n0.827171 0.320140 0.640997 P\n0.327171 0.679860 0.859003 P\n0.405665 0.615322 0.239860 P\n0.905665 0.384678 0.260140 P\n0.594335 0.384678 0.760140 P\n0.094335 0.615322 0.739860 P\n0.602999 0.801441 0.021091 P\n0.102999 0.198559 0.478909 P\n0.397001 0.198559 0.978909 P\n0.897001 0.801441 0.521091 P\n0.293049 0.724712 0.251539 O\n0.793049 0.275288 0.248461 O\n0.706951 0.275288 0.748461 O\n0.206951 0.724712 0.751539 O\n0.916999 0.932247 0.214047 O\n0.416999 0.067753 0.285953 O\n0.083001 0.067753 0.785953 O\n0.583001 0.932247 0.714047 O\n0.321615 0.486448 0.252531 O\n0.821615 0.513552 0.247469 O\n0.678385 0.513552 0.747469 O\n0.178385 0.486448 0.752531 O\n0.034783 0.637943 0.323708 O\n0.534783 0.362057 0.176292 O\n0.965217 0.362057 0.676292 O\n0.465217 0.637943 0.823708 O\n0.035132 0.423395 0.176548 O\n0.535132 0.576605 0.323452 O\n0.964868 0.576605 0.823452 O\n0.464868 0.423395 0.676548 O\n0.905221 0.869823 0.804171 O\n0.405221 0.130177 0.695829 O\n0.094779 0.130177 0.195829 O\n0.594779 0.869823 0.304171 O\n0.655290 0.699455 0.984176 O\n0.155290 0.300545 0.515824 O\n0.344710 0.300545 0.015824 O\n0.844710 0.699455 0.484176 O\n0.342534 0.846612 0.835707 O\n0.842534 0.153388 0.664293 O\n0.657466 0.153388 0.164293 O\n0.157466 0.846612 0.335707 O\n0.449283 0.737260 0.095608 O\n0.949283 0.262740 0.404392 O\n0.550717 0.262740 0.904392 O\n0.050717 0.737260 0.595608 O\n0.739897 0.424212 0.014075 O\n0.239897 0.575788 0.485925 O\n0.260103 0.575788 0.985925 O\n0.760103 0.424212 0.514075 O\n0.794128 0.837902 0.590134 O\n0.294128 0.162098 0.909866 O\n0.205872 0.162098 0.409866 O\n0.705872 0.837902 0.090134 O\n0.041277 0.041711 0.603053 O\n0.541277 0.958289 0.896947 O\n0.958723 0.958289 0.396947 O\n0.458723 0.041711 0.103053 O\n","nsites":72,"nelements":4,"elements":["Rb","Nd","P","O"],"chemical_system":"Nd-O-P-Rb","density":3.470471759920155,"density_atomic":0.06895081961262385,"volume":1044.2225401308774,"volume_molar":8.733965446434572,"formula_full":"Rb4 Nd4 P16 O48","formula_reduced":"RbNd(PO3)4","formula_anonymous":"ABC4D12","energy":-557.11046376,"energy_per_atom":-7.73764533,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-524.13446376,"band_gap":5.8825,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0019124,"is_theoretical":false,"updated_at":"2021-11-28T01:37:47.739000Z","spacegroup":14}]}