{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=10209","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=10207","results":[{"id":"mp-1069383","created_at":"2022-09-04T14:42:58.710950Z","structure_string":"Eu1 Zn2 P2\n1.0\n2.056901 -3.562658 0.000000\n2.056901 3.562658 0.000000\n0.000000 0.000000 6.862419\nEu Zn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.666667 0.333333 0.362737 Zn\n0.333333 0.666667 0.637263 Zn\n0.666667 0.333333 0.733302 P\n0.333333 0.666667 0.266698 P\n","nsites":5,"nelements":3,"elements":["Eu","Zn","P"],"chemical_system":"Eu-P-Zn","density":5.691579768209454,"density_atomic":0.04971360463278797,"volume":100.57609052758798,"volume_molar":12.11366748495275,"formula_full":"Eu1 Zn2 P2","formula_reduced":"Eu(ZnP)2","formula_anonymous":"AB2C2","energy":-27.22300531,"energy_per_atom":-5.444601062,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.22300531,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0001363,"is_theoretical":false,"updated_at":"2021-11-28T01:35:57.408000Z","spacegroup":164},{"id":"mp-541794","created_at":"2022-09-04T14:42:58.704283Z","structure_string":"K2 Fe2 B2 P4 H2 O18\n1.0\n5.169692 0.000000 0.000000\n0.537994 8.092122 0.000000\n1.329868 0.511390 8.227849\nK Fe B P H O\n2 2 2 4 2 18\ndirect\n0.721215 0.327816 0.111916 K\n0.278785 0.672184 0.888084 K\n0.263755 0.195982 0.807316 Fe\n0.736245 0.804018 0.192684 Fe\n0.126435 0.263963 0.447164 B\n0.873565 0.736037 0.552836 B\n0.201583 0.587084 0.304007 P\n0.798417 0.412916 0.695993 P\n0.220361 0.061276 0.181564 P\n0.779639 0.938724 0.818436 P\n0.478683 0.172933 0.519660 H\n0.521317 0.827067 0.480340 H\n0.030469 0.403030 0.792527 O\n0.969531 0.596970 0.207473 O\n0.069622 0.143165 0.338105 O\n0.930378 0.856835 0.661895 O\n0.061047 0.918816 0.151336 O\n0.938953 0.081184 0.848664 O\n0.130502 0.681207 0.464441 O\n0.869498 0.318793 0.535559 O\n0.235689 0.202286 0.044746 O\n0.764311 0.797714 0.955254 O\n0.271077 0.400743 0.351353 O\n0.728923 0.599257 0.648647 O\n0.293809 0.189420 0.565693 O\n0.706191 0.810580 0.434307 O\n0.452095 0.649160 0.203445 O\n0.547905 0.350840 0.796555 O\n0.501651 0.003645 0.210101 O\n0.498349 0.996355 0.789899 O\n","nsites":30,"nelements":6,"elements":["K","Fe","B","P","H","O"],"chemical_system":"B-Fe-H-K-O-P","density":3.0171689610867665,"density_atomic":0.08715811935381197,"volume":344.20201149840335,"volume_molar":6.909443210395078,"formula_full":"K2 Fe2 B2 P4 H2 O18","formula_reduced":"KFeBP2HO9","formula_anonymous":"ABCDE2F9","energy":-223.63940215,"energy_per_atom":-7.4546467383333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-206.76140215,"band_gap":2.5059,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0000546,"is_theoretical":false,"updated_at":"2021-11-28T01:36:03.432000Z","spacegroup":2},{"id":"mp-1022985","created_at":"2022-09-04T14:42:58.709386Z","structure_string":"Mg12 Mn2 Ni2\n1.0\n4.788782 0.000000 0.000000\n0.000000 6.047408 0.000000\n0.000000 0.000000 10.418131\nMg Mn Ni\n12 2 2\ndirect\n0.500000 0.748632 0.083518 Mg\n0.500000 0.251368 0.083518 Mg\n0.000000 0.745167 0.910857 Mg\n0.000000 0.254833 0.910857 Mg\n0.000000 0.500000 0.171111 Mg\n0.000000 0.500000 0.674323 Mg\n0.500000 0.248632 0.583518 Mg\n0.500000 0.751368 0.583518 Mg\n0.000000 0.245167 0.410857 Mg\n0.000000 0.754833 0.410857 Mg\n0.000000 0.000000 0.671111 Mg\n0.000000 0.000000 0.174323 Mg\n0.500000 0.500000 0.332782 Mn\n0.500000 0.000000 0.832782 Mn\n0.500000 0.500000 0.833038 Ni\n0.500000 0.000000 0.333038 Ni\n","nsites":16,"nelements":3,"elements":["Mg","Mn","Ni"],"chemical_system":"Mg-Mn-Ni","density":2.8560629428649684,"density_atomic":0.053031734459958776,"volume":301.70614185890304,"volume_molar":11.355730340192764,"formula_full":"Mg12 Mn2 Ni2","formula_reduced":"Mg6MnNi","formula_anonymous":"ABC6","energy":-47.20116952,"energy_per_atom":-2.950073095,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.20116952,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.6925708,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.168000Z","spacegroup":38},{"id":"mp-1041584","created_at":"2022-09-04T14:42:58.768004Z","structure_string":"Sn4 O8\n1.0\n-3.248897 3.414021 3.414470\n3.248897 -3.414021 3.414470\n3.248897 3.414021 -3.414470\nSn O\n4 8\ndirect\n0.503599 0.750000 0.753599 Sn\n0.496401 0.250000 0.246401 Sn\n0.000000 0.500000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.306496 0.502722 0.309218 O\n0.189445 0.943505 0.245940 O\n0.306496 0.997277 0.803773 O\n0.802435 0.556495 0.245940 O\n0.197565 0.443505 0.754060 O\n0.810555 0.056495 0.754060 O\n0.693504 0.002723 0.196227 O\n0.693504 0.497278 0.690782 O\n","nsites":12,"nelements":2,"elements":["Sn","O"],"chemical_system":"O-Sn","density":6.60788196564374,"density_atomic":0.07921288339431519,"volume":151.49050868739357,"volume_molar":7.602476392662391,"formula_full":"Sn4 O8","formula_reduced":"SnO2","formula_anonymous":"AB2","energy":-80.90738784999999,"energy_per_atom":-6.742282320833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.41138785,"band_gap":0.6487000000000007,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":5.14e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.236000Z","spacegroup":74},{"id":"mp-767614","created_at":"2022-09-04T14:42:58.780749Z","structure_string":"Li3 Mn4 P6 O24\n1.0\n8.473057 0.000000 0.000000\n-4.205190 -7.399737 0.000000\n-4.184258 2.329881 -7.147638\nLi Mn P O\n3 4 6 24\ndirect\n0.977704 0.630617 0.950064 Li\n0.413260 0.106751 0.661849 Li\n0.805265 0.968642 0.447077 Li\n0.290370 0.153694 0.933982 Mn\n0.719919 0.355848 0.566511 Mn\n0.278929 0.642152 0.426887 Mn\n0.711539 0.849481 0.067593 Mn\n0.508296 0.478351 0.758013 P\n0.780588 0.035288 0.744709 P\n0.225128 0.757036 0.751415 P\n0.787913 0.251372 0.255836 P\n0.198430 0.955114 0.245406 P\n0.494695 0.527964 0.245002 P\n0.189722 0.986569 0.063606 O\n0.650997 0.486279 0.392664 O\n0.773331 0.213877 0.746253 O\n0.358453 0.278880 0.762613 O\n0.028853 0.611669 0.753617 O\n0.577640 0.872099 0.557240 O\n0.674080 0.632799 0.951823 O\n0.011004 0.943347 0.247236 O\n0.271274 0.958904 0.787256 O\n0.596576 0.257349 0.102082 O\n0.344888 0.537680 0.289269 O\n0.819507 0.271995 0.448735 O\n0.192158 0.728964 0.555711 O\n0.660335 0.463253 0.719491 O\n0.973347 0.062258 0.737506 O\n0.414128 0.748436 0.901649 O\n0.401744 0.109719 0.426819 O\n0.332911 0.372585 0.051251 O\n0.173405 0.758868 0.232410 O\n0.755563 0.056535 0.217340 O\n0.646948 0.727910 0.241359 O\n0.987813 0.410021 0.260696 O\n0.350534 0.516324 0.606041 O\n0.795358 0.993411 0.921960 O\n","nsites":37,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":3.0028342772927785,"density_atomic":0.08256248624366404,"volume":448.1454191047866,"volume_molar":7.294039985941129,"formula_full":"Li3 Mn4 P6 O24","formula_reduced":"Li3Mn4(PO4)6","formula_anonymous":"A3B4C6D24","energy":-282.74942258000004,"energy_per_atom":-7.641876285945947,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-259.58942258,"band_gap":0.0390999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.9970594,"is_theoretical":true,"updated_at":"2021-11-28T01:35:59.664000Z","spacegroup":1},{"id":"mp-24419","created_at":"2022-09-04T14:42:58.783203Z","structure_string":"Sr1 Li1 H3\n1.0\n4.630791 0.000000 0.000000\n0.000000 4.630791 0.000000\n0.000000 0.000000 4.630791\nSr Li H\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 H\n0.500000 0.000000 0.500000 H\n0.500000 0.500000 0.000000 H\n","nsites":5,"nelements":3,"elements":["Sr","Li","H"],"chemical_system":"H-Li-Sr","density":1.6317958382207567,"density_atomic":0.05035057825973113,"volume":99.30372545490403,"volume_molar":11.960420253636542,"formula_full":"Sr1 Li1 H3","formula_reduced":"SrLiH3","formula_anonymous":"ABC3","energy":-14.4365964,"energy_per_atom":-2.8873192800000003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.8995964,"band_gap":2.1231,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.3e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:03.842000Z","spacegroup":221},{"id":"mp-752413","created_at":"2022-09-04T14:42:58.787056Z","structure_string":"Ca4 Hf2 O8\n1.0\n3.279358 0.000000 0.000000\n0.000000 5.748870 0.000000\n0.000000 0.000000 9.925221\nCa Hf O\n4 2 8\ndirect\n0.500000 0.066401 0.318894 Ca\n0.500000 0.433599 0.818894 Ca\n0.500000 0.566401 0.181106 Ca\n0.500000 0.933599 0.681106 Ca\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.500000 Hf\n0.000000 0.138761 0.807707 O\n0.500000 0.225691 0.045429 O\n0.500000 0.274309 0.545429 O\n0.000000 0.361239 0.307707 O\n0.000000 0.638761 0.692293 O\n0.500000 0.725691 0.454571 O\n0.500000 0.774309 0.954571 O\n0.000000 0.861239 0.192293 O\n","nsites":14,"nelements":3,"elements":["Ca","Hf","O"],"chemical_system":"Ca-Hf-O","density":5.726518182273972,"density_atomic":0.07481979806569711,"volume":187.11624946791494,"volume_molar":8.04885994842185,"formula_full":"Ca4 Hf2 O8","formula_reduced":"Ca2HfO4","formula_anonymous":"AB2C4","energy":-118.89896031,"energy_per_atom":-8.492782879285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.40296031,"band_gap":3.841,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0015376,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.108000Z","spacegroup":55},{"id":"mp-16872","created_at":"2022-09-04T14:42:58.787608Z","structure_string":"Rb2 Li4 Ga4 B6 O18\n1.0\n5.010985 0.000000 0.000000\n0.000000 6.503296 0.000000\n0.000000 0.659172 12.944740\nRb Li Ga B O\n2 4 4 6 18\ndirect\n0.211642 0.000000 0.750000 Rb\n0.788358 0.000000 0.250000 Rb\n0.170193 0.503168 0.866843 Li\n0.170193 0.496832 0.633157 Li\n0.829807 0.496832 0.133157 Li\n0.829807 0.503168 0.366843 Li\n0.685739 0.234244 0.936128 Ga\n0.685739 0.765756 0.563872 Ga\n0.314261 0.765756 0.063872 Ga\n0.314261 0.234244 0.436128 Ga\n0.336376 0.500000 0.250000 B\n0.663624 0.500000 0.750000 B\n0.817316 0.809211 0.959171 B\n0.817316 0.190789 0.540829 B\n0.182684 0.190789 0.040829 B\n0.182684 0.809211 0.459171 B\n0.086425 0.754855 0.949429 O\n0.913575 0.245145 0.050571 O\n0.180582 0.401400 0.328772 O\n0.913575 0.754855 0.449429 O\n0.819418 0.598600 0.671228 O\n0.819418 0.401400 0.828772 O\n0.290616 0.963678 0.395362 O\n0.290616 0.036322 0.104638 O\n0.709384 0.036322 0.604638 O\n0.709384 0.963678 0.895362 O\n0.666586 0.297523 0.466027 O\n0.666586 0.702477 0.033973 O\n0.333414 0.702477 0.533973 O\n0.333414 0.297523 0.966027 O\n0.396205 0.500000 0.750000 O\n0.603795 0.500000 0.250000 O\n0.180582 0.598600 0.171228 O\n0.086425 0.245145 0.550571 O\n","nsites":34,"nelements":5,"elements":["Rb","Li","Ga","B","O"],"chemical_system":"B-Ga-Li-O-Rb","density":3.2689701677020526,"density_atomic":0.08059887146246499,"volume":421.84213479755545,"volume_molar":7.471743277205215,"formula_full":"Rb2 Li4 Ga4 B6 O18","formula_reduced":"RbLi2Ga2(BO3)3","formula_anonymous":"AB2C2D3E9","energy":-239.28601826,"energy_per_atom":-7.037824066470588,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-226.92001826,"band_gap":3.3885,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0054264,"is_theoretical":false,"updated_at":"2021-11-28T01:36:10.984000Z","spacegroup":13},{"id":"mp-569267","created_at":"2022-09-04T14:42:58.836750Z","structure_string":"Ca8 Cd4 Sb8\n1.0\n4.658089 0.000000 0.000000\n0.000000 7.344623 0.000000\n0.000000 0.000000 17.680749\nCa Cd Sb\n8 4 8\ndirect\n0.750000 0.771468 0.446665 Ca\n0.250000 0.728532 0.946665 Ca\n0.250000 0.535279 0.727775 Ca\n0.750000 0.964721 0.227775 Ca\n0.750000 0.271468 0.053335 Ca\n0.250000 0.228532 0.553335 Ca\n0.750000 0.464721 0.272225 Ca\n0.250000 0.035279 0.772225 Ca\n0.250000 0.637228 0.150775 Cd\n0.750000 0.862772 0.650775 Cd\n0.750000 0.362772 0.849225 Cd\n0.250000 0.137228 0.349225 Cd\n0.750000 0.255621 0.683157 Sb\n0.250000 0.744379 0.316843 Sb\n0.250000 0.244379 0.183157 Sb\n0.750000 0.757956 0.070715 Sb\n0.750000 0.755621 0.816843 Sb\n0.250000 0.242044 0.929285 Sb\n0.750000 0.257956 0.429285 Sb\n0.250000 0.742044 0.570715 Sb\n","nsites":20,"nelements":3,"elements":["Ca","Cd","Sb"],"chemical_system":"Ca-Cd-Sb","density":4.788552792560198,"density_atomic":0.03306374526580036,"volume":604.8921511830995,"volume_molar":18.213728395219132,"formula_full":"Ca8 Cd4 Sb8","formula_reduced":"Ca2CdSb2","formula_anonymous":"AB2C2","energy":-70.01030291000001,"energy_per_atom":-3.5005151455000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.47430291,"band_gap":0.3189999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004341,"is_theoretical":false,"updated_at":"2021-11-28T01:35:59.482000Z","spacegroup":62},{"id":"mp-767568","created_at":"2022-09-04T14:42:58.712027Z","structure_string":"Li3 Mn4 P6 O24\n1.0\n6.290860 0.000000 0.000000\n-2.209305 8.091231 0.000000\n-2.502153 -1.065685 8.220030\nLi Mn P O\n3 4 6 24\ndirect\n0.751596 0.714705 0.294944 Li\n0.000000 0.500000 0.500000 Li\n0.248404 0.285295 0.705056 Li\n0.366858 0.943324 0.621853 Mn\n0.869198 0.625978 0.943078 Mn\n0.130802 0.374022 0.056922 Mn\n0.633142 0.056676 0.378147 Mn\n0.248564 0.709653 0.286273 P\n0.873341 0.852405 0.654236 P\n0.358887 0.652941 0.852542 P\n0.641113 0.347059 0.147458 P\n0.126659 0.147595 0.345764 P\n0.751436 0.290347 0.713727 P\n0.098203 0.991596 0.658666 O\n0.678110 0.948466 0.596504 O\n0.024080 0.737905 0.169863 O\n0.474755 0.825674 0.266236 O\n0.390541 0.835321 0.818477 O\n0.233811 0.735012 0.461879 O\n0.894897 0.822107 0.832825 O\n0.821834 0.702296 0.536026 O\n0.261389 0.528262 0.257386 O\n0.182147 0.604453 0.958481 O\n0.593372 0.652226 0.978244 O\n0.269290 0.526086 0.705242 O\n0.730710 0.473914 0.294758 O\n0.406628 0.347774 0.021756 O\n0.817853 0.395547 0.041519 O\n0.738611 0.471738 0.742614 O\n0.178166 0.297704 0.463974 O\n0.105103 0.177893 0.167175 O\n0.766189 0.264988 0.538121 O\n0.609459 0.164679 0.181523 O\n0.525245 0.174326 0.733764 O\n0.975920 0.262095 0.830137 O\n0.321890 0.051534 0.403496 O\n0.901797 0.008404 0.341334 O\n","nsites":37,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":3.2162685431072275,"density_atomic":0.08843082995096943,"volume":418.4061149320287,"volume_molar":6.810001402609228,"formula_full":"Li3 Mn4 P6 O24","formula_reduced":"Li3Mn4(PO4)6","formula_anonymous":"A3B4C6D24","energy":-281.61885671000005,"energy_per_atom":-7.611320451621623,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-258.45885671,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.0115692,"is_theoretical":true,"updated_at":"2021-11-28T01:35:59.317000Z","spacegroup":2},{"id":"mp-1101345","created_at":"2022-09-04T14:42:58.718005Z","structure_string":"Sr2 Ca2 I8\n1.0\n7.440391 5.152191 0.000000\n-7.440391 5.152191 0.000000\n0.000000 4.509569 6.273421\nSr Ca I\n2 2 8\ndirect\n0.635196 0.364804 0.750000 Sr\n0.364804 0.635196 0.250000 Sr\n0.000419 0.999581 0.250000 Ca\n0.999581 0.000419 0.750000 Ca\n0.640839 0.761704 0.731714 I\n0.943567 0.296081 0.415218 I\n0.296081 0.943567 0.915218 I\n0.238296 0.359161 0.768286 I\n0.761704 0.640839 0.231714 I\n0.703919 0.056433 0.084782 I\n0.056433 0.703919 0.584782 I\n0.359161 0.238296 0.268286 I\n","nsites":12,"nelements":3,"elements":["Sr","Ca","I"],"chemical_system":"Ca-I-Sr","density":4.386788148981043,"density_atomic":0.02494934242153034,"volume":480.9746003423502,"volume_molar":24.137472877053142,"formula_full":"Sr2 Ca2 I8","formula_reduced":"SrCaI4","formula_anonymous":"ABC4","energy":-41.681113100000005,"energy_per_atom":-3.473426091666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.6491131,"band_gap":2.776,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.13e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.929000Z","spacegroup":15},{"id":"mp-974270","created_at":"2022-09-04T14:42:58.733239Z","structure_string":"Na3 Al1\n1.0\n0.000000 3.833004 3.833004\n3.833004 0.000000 3.833004\n3.833004 3.833004 0.000000\nNa Al\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Al\n","nsites":4,"nelements":2,"elements":["Na","Al"],"chemical_system":"Al-Na","density":1.414653552932101,"density_atomic":0.035515029377724334,"volume":112.62837367970396,"volume_molar":16.95659799672641,"formula_full":"Na3 Al1","formula_reduced":"Na3Al","formula_anonymous":"AB3","energy":-6.99245927,"energy_per_atom":-1.7481148175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.99245927,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0075071,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.987000Z","spacegroup":225}]}