{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=10188","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=10186","results":[{"id":"mp-753772","created_at":"2022-09-04T14:43:38.689321Z","structure_string":"Nd4 O3 F7\n1.0\n5.852168 0.000000 0.000000\n0.000000 5.516089 0.000000\n0.000000 0.112687 5.865771\nNd O F\n4 3 7\ndirect\n0.275044 0.272209 0.751101 Nd\n0.796104 0.760999 0.748102 Nd\n0.796104 0.239001 0.251898 Nd\n0.275044 0.727791 0.248899 Nd\n0.040156 0.500000 0.000000 O\n0.025682 0.000000 0.000000 O\n0.996143 0.500000 0.500000 O\n0.560010 0.500000 0.000000 F\n0.399622 0.683953 0.646220 F\n0.494409 0.000000 0.000000 F\n0.399622 0.316047 0.353780 F\n0.679831 0.825059 0.346753 F\n0.679831 0.174941 0.653247 F\n0.080396 0.000000 0.500000 F\n","nsites":14,"nelements":3,"elements":["Nd","O","F"],"chemical_system":"F-Nd-O","density":6.646903575062905,"density_atomic":0.07393581794334805,"volume":189.35342016135183,"volume_molar":8.145092497136304,"formula_full":"Nd4 O3 F7","formula_reduced":"Nd4O3F7","formula_anonymous":"A3B4C7","energy":-103.73434538,"energy_per_atom":-7.409596098571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.43934538,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0007821,"is_theoretical":true,"updated_at":"2021-11-28T01:36:22.311000Z","spacegroup":3},{"id":"mp-753773","created_at":"2022-09-04T14:41:13.971464Z","structure_string":"Mn5 Sb1 O12\n1.0\n4.536872 2.582710 0.000000\n-4.536872 2.582710 0.000000\n0.000000 0.066800 9.723388\nMn Sb O\n5 1 12\ndirect\n0.166770 0.833230 0.500000 Mn\n0.333726 0.666274 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.666274 0.333726 0.000000 Mn\n0.833230 0.166770 0.500000 Mn\n0.000000 0.000000 0.000000 Sb\n0.338975 0.006881 0.102144 O\n0.993119 0.661025 0.897856 O\n0.501252 0.834391 0.404710 O\n0.165609 0.498748 0.595290 O\n0.832585 0.832585 0.595491 O\n0.664131 0.664131 0.104177 O\n0.335869 0.335869 0.895823 O\n0.167415 0.167415 0.404509 O\n0.834391 0.501252 0.404710 O\n0.498748 0.165609 0.595290 O\n0.006881 0.338975 0.102144 O\n0.661025 0.993119 0.897856 O\n","nsites":18,"nelements":3,"elements":["Mn","Sb","O"],"chemical_system":"Mn-O-Sb","density":4.288187183179169,"density_atomic":0.07899374845383339,"volume":227.8661331095056,"volume_molar":7.623566266790774,"formula_full":"Mn5 Sb1 O12","formula_reduced":"Mn5SbO12","formula_anonymous":"AB5C12","energy":-141.13833572,"energy_per_atom":-7.84101865111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-124.55433572,"band_gap":0.0207999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9996393,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.723000Z","spacegroup":12},{"id":"mp-753774","created_at":"2022-09-04T14:48:11.833117Z","structure_string":"K1 Tm1 O2\n1.0\n6.316339 -1.711849 0.000000\n6.316339 1.711849 0.000000\n5.852395 0.000000 2.928488\nK Tm O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Tm\n0.227713 0.227713 0.227713 O\n0.772287 0.772287 0.772287 O\n","nsites":4,"nelements":3,"elements":["K","Tm","O"],"chemical_system":"K-O-Tm","density":6.2937960310961225,"density_atomic":0.06316196937322612,"volume":63.32924764210361,"volume_molar":9.534441088141152,"formula_full":"K1 Tm1 O2","formula_reduced":"KTmO2","formula_anonymous":"ABC2","energy":-28.14394454,"energy_per_atom":-7.035986135,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.76994454,"band_gap":3.9715,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004948,"is_theoretical":true,"updated_at":"2021-11-28T01:38:27.387000Z","spacegroup":166},{"id":"mp-753775","created_at":"2022-09-04T14:39:35.916834Z","structure_string":"Ba1 Ca1 I4\n1.0\n5.699787 0.000000 0.000000\n0.000000 5.719224 0.000000\n0.000000 0.000000 8.186859\nBa Ca I\n1 1 4\ndirect\n0.000000 0.490241 0.500000 Ba\n0.500000 0.002659 0.000000 Ca\n0.500000 0.498745 0.766189 I\n0.000000 0.994190 0.762524 I\n0.500000 0.498745 0.233811 I\n0.000000 0.994190 0.237476 I\n","nsites":6,"nelements":3,"elements":["Ba","Ca","I"],"chemical_system":"Ba-Ca-I","density":4.262271705455383,"density_atomic":0.02248216892535434,"volume":266.87816553292953,"volume_molar":26.786297976831367,"formula_full":"Ba1 Ca1 I4","formula_reduced":"BaCaI4","formula_anonymous":"ABC4","energy":-21.27292124,"energy_per_atom":-3.545486873333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.75692124,"band_gap":2.7146,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0008541,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.690000Z","spacegroup":25},{"id":"mp-753776","created_at":"2022-09-04T14:41:11.431974Z","structure_string":"Li8 Sb2 S8\n1.0\n4.521303 -5.199298 0.000000\n4.521303 5.199298 0.000000\n0.000000 0.000000 8.001817\nLi Sb S\n8 2 8\ndirect\n0.842560 0.157440 0.500000 Li\n0.842560 0.157440 0.000000 Li\n0.417608 0.115204 0.750000 Li\n0.884796 0.582392 0.250000 Li\n0.582392 0.884796 0.250000 Li\n0.115204 0.417608 0.750000 Li\n0.157440 0.842560 0.000000 Li\n0.157440 0.842560 0.500000 Li\n0.646409 0.646409 0.750000 Sb\n0.353591 0.353591 0.250000 Sb\n0.692241 0.249668 0.250000 S\n0.750332 0.307759 0.750000 S\n0.796409 0.796409 0.009150 S\n0.203591 0.203591 0.509150 S\n0.796409 0.796409 0.490850 S\n0.203591 0.203591 0.990850 S\n0.307759 0.750332 0.750000 S\n0.249668 0.692241 0.250000 S\n","nsites":18,"nelements":3,"elements":["Li","Sb","S"],"chemical_system":"Li-S-Sb","density":2.4522197575006346,"density_atomic":0.04784599294164795,"volume":376.20705294908294,"volume_molar":12.58651015424528,"formula_full":"Li8 Sb2 S8","formula_reduced":"Li4SbS4","formula_anonymous":"AB4C4","energy":-76.81475727,"energy_per_atom":-4.267486515,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.79075727,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.67e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:14.746000Z","spacegroup":63},{"id":"mp-753777","created_at":"2022-09-04T14:40:10.311660Z","structure_string":"Li6 Fe1 Co1 P2 C2 O14\n1.0\n6.415461 0.000000 0.000000\n0.000000 4.986709 0.000000\n0.000000 0.671964 8.370552\nLi Fe Co P C O\n6 1 1 2 2 14\ndirect\n0.500000 0.764355 0.095862 Li\n0.270972 0.247970 0.276227 Li\n0.729028 0.247970 0.276227 Li\n0.771902 0.751399 0.723670 Li\n0.228098 0.751399 0.723670 Li\n0.000000 0.236817 0.903650 Li\n0.500000 0.204169 0.670376 Fe\n0.000000 0.794062 0.334508 Co\n0.500000 0.719106 0.414052 P\n0.000000 0.280034 0.586621 P\n0.000000 0.701880 0.036531 C\n0.500000 0.298650 0.962509 C\n0.000000 0.949395 0.072960 O\n0.500000 0.358751 0.110037 O\n0.000000 0.510277 0.152161 O\n0.312689 0.825398 0.308929 O\n0.687311 0.825398 0.308929 O\n0.000000 0.174419 0.418502 O\n0.500000 0.405443 0.435279 O\n0.000000 0.593951 0.566327 O\n0.500000 0.827829 0.581095 O\n0.188137 0.175150 0.690872 O\n0.811863 0.175150 0.690872 O\n0.500000 0.488310 0.846334 O\n0.000000 0.640909 0.889341 O\n0.500000 0.051804 0.924456 O\n","nsites":26,"nelements":6,"elements":["Li","Fe","Co","P","C","O"],"chemical_system":"C-Co-Fe-Li-O-P","density":2.891994191270726,"density_atomic":0.09709063788532594,"volume":267.7910101971797,"volume_molar":6.202596760269274,"formula_full":"Li6 Fe1 Co1 P2 C2 O14","formula_reduced":"Li6FeCoP2(CO7)2","formula_anonymous":"ABC2D2E6F14","energy":-183.51789345,"energy_per_atom":-7.058380517307692,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-170.00589345,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0057232,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.636000Z","spacegroup":6},{"id":"mp-753778","created_at":"2022-09-04T14:40:26.395676Z","structure_string":"Li4 Cr2 C4 O12\n1.0\n7.847524 0.000000 0.000000\n0.000000 5.253105 0.000000\n0.000000 3.036251 6.484588\nLi Cr C O\n4 2 4 12\ndirect\n0.928051 0.097243 0.270002 Li\n0.428051 0.902757 0.229998 Li\n0.571949 0.097243 0.770002 Li\n0.071949 0.902757 0.729998 Li\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.271206 0.344646 0.349052 C\n0.771206 0.655354 0.150948 C\n0.228794 0.344646 0.849052 C\n0.728794 0.655354 0.650948 C\n0.126297 0.206364 0.408502 O\n0.894784 0.761426 0.215310 O\n0.394784 0.238574 0.284690 O\n0.626297 0.793636 0.091498 O\n0.284277 0.582260 0.358985 O\n0.784277 0.417740 0.141015 O\n0.215723 0.582260 0.858985 O\n0.715723 0.417740 0.641015 O\n0.373703 0.206364 0.908502 O\n0.605216 0.761426 0.715310 O\n0.105216 0.238574 0.784690 O\n0.873703 0.793636 0.591498 O\n","nsites":22,"nelements":4,"elements":["Li","Cr","C","O"],"chemical_system":"C-Cr-Li-O","density":2.3094990183537236,"density_atomic":0.08229843152138229,"volume":267.3197969062641,"volume_molar":7.317442931382432,"formula_full":"Li4 Cr2 C4 O12","formula_reduced":"Li2Cr(CO3)2","formula_anonymous":"AB2C2D6","energy":-165.32023064999998,"energy_per_atom":-7.514555938636363,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-153.07823065,"band_gap":2.1929,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.1e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.781000Z","spacegroup":14},{"id":"mp-753779","created_at":"2022-09-04T14:43:54.413444Z","structure_string":"Li2 Mn4 P4 O16\n1.0\n6.149930 -0.001260 0.005818\n-0.002098 10.177840 0.002125\n-0.018842 0.001014 4.873571\nLi Mn P O\n2 4 4 16\ndirect\n0.259949 0.794642 0.748447 Li\n0.741723 0.296337 0.247488 Li\n0.002826 0.514700 0.706283 Mn\n0.494642 0.080048 0.792293 Mn\n0.504479 0.578576 0.210512 Mn\n0.996918 0.013927 0.296004 Mn\n0.006655 0.699886 0.169684 P\n0.502680 0.393589 0.671346 P\n0.497283 0.895511 0.329397 P\n0.993416 0.198944 0.829578 P\n0.997242 0.344955 0.918016 O\n0.019875 0.686219 0.484617 O\n0.186362 0.121388 0.958113 O\n0.210396 0.639424 0.019342 O\n0.294868 0.960975 0.477830 O\n0.307932 0.471426 0.546215 O\n0.499905 0.248843 0.573888 O\n0.517599 0.404318 0.985000 O\n0.483022 0.907545 0.015064 O\n0.499025 0.751488 0.426506 O\n0.691798 0.973759 0.454730 O\n0.705137 0.458052 0.521829 O\n0.789760 0.137126 0.978891 O\n0.813692 0.622528 0.041554 O\n0.981115 0.184961 0.514550 O\n0.001701 0.846685 0.082823 O\n","nsites":26,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":3.3396651015846843,"density_atomic":0.08523122048163322,"volume":305.0525365362195,"volume_molar":7.06565120852368,"formula_full":"Li2 Mn4 P4 O16","formula_reduced":"LiMn2(PO4)2","formula_anonymous":"AB2C2D8","energy":-207.28146287,"energy_per_atom":-7.972363956538462,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-189.61746287,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.000305,"is_theoretical":true,"updated_at":"2021-11-28T01:36:19.923000Z","spacegroup":4},{"id":"mp-753780","created_at":"2022-09-04T14:42:29.560718Z","structure_string":"Li2 Mn4 O4 F6\n1.0\n1.962128 5.055854 0.000000\n-1.962128 5.055854 0.000000\n0.000000 0.418374 9.921154\nLi Mn O F\n2 4 4 6\ndirect\n0.696638 0.696638 0.232687 Li\n0.369656 0.369656 0.070283 Li\n0.634347 0.634347 0.584487 Mn\n0.653498 0.653498 0.933420 Mn\n0.302155 0.302155 0.749754 Mn\n0.363490 0.363490 0.439111 Mn\n0.750236 0.750236 0.754206 O\n0.435712 0.435712 0.609038 O\n0.181011 0.181011 0.906619 O\n0.184170 0.184170 0.590713 O\n0.556834 0.556834 0.104881 F\n0.822611 0.822611 0.441277 F\n0.562244 0.562244 0.386031 F\n0.814442 0.814442 0.065223 F\n0.279907 0.279907 0.266992 F\n0.449224 0.449224 0.868907 F\n","nsites":16,"nelements":4,"elements":["Li","Mn","O","F"],"chemical_system":"F-Li-Mn-O","density":3.4724327216428965,"density_atomic":0.08128416271904504,"volume":196.84031261173547,"volume_molar":7.408750436189214,"formula_full":"Li2 Mn4 O4 F6","formula_reduced":"LiMn2O2F3","formula_anonymous":"AB2C2D3","energy":-112.25464491,"energy_per_atom":-7.015915306875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-100.06264491,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9933062,"is_theoretical":true,"updated_at":"2021-11-28T01:35:48.745000Z","spacegroup":8},{"id":"mp-753781","created_at":"2022-09-04T14:48:23.301796Z","structure_string":"Eu1 Hf1 O3\n1.0\n4.134079 0.000000 0.000000\n0.000000 4.134079 0.000000\n0.000000 0.000000 4.134079\nEu Hf O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Hf\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Eu","Hf","O"],"chemical_system":"Eu-Hf-O","density":8.894546648344669,"density_atomic":0.07076747331793613,"volume":70.65392850097336,"volume_molar":8.50975805359675,"formula_full":"Eu1 Hf1 O3","formula_reduced":"EuHfO3","formula_anonymous":"ABC3","energy":-53.687514590000006,"energy_per_atom":-10.737502918,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.62651459,"band_gap":0.4795999999999996,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":6.9996458,"is_theoretical":true,"updated_at":"2021-11-28T01:39:12.518000Z","spacegroup":221},{"id":"mp-753782","created_at":"2022-09-04T14:41:04.963330Z","structure_string":"Li4 V4 F20\n1.0\n8.745242 0.000000 0.000000\n0.000000 6.322682 0.000000\n0.000000 5.788459 6.729294\nLi V F\n4 4 20\ndirect\n0.896237 0.471900 0.782112 Li\n0.396237 0.528100 0.717888 Li\n0.603763 0.471900 0.282112 Li\n0.103763 0.528100 0.217888 Li\n0.377121 0.886737 0.931481 V\n0.877121 0.113263 0.568519 V\n0.122879 0.886737 0.431481 V\n0.622879 0.113263 0.068519 V\n0.604045 0.885089 0.978874 F\n0.167616 0.858699 0.955634 F\n0.390859 0.712305 0.830234 F\n0.618539 0.428427 0.800489 F\n0.889329 0.767857 0.812723 F\n0.118539 0.571573 0.699511 F\n0.389329 0.232143 0.687277 F\n0.890859 0.287695 0.669766 F\n0.667616 0.141301 0.544366 F\n0.104045 0.114911 0.521126 F\n0.895955 0.885089 0.478874 F\n0.332384 0.858699 0.455634 F\n0.109141 0.712305 0.330234 F\n0.610671 0.767857 0.312723 F\n0.881461 0.428427 0.300489 F\n0.110671 0.232143 0.187277 F\n0.381461 0.571573 0.199511 F\n0.609141 0.287695 0.169766 F\n0.832384 0.141301 0.044366 F\n0.395955 0.114911 0.021126 F\n","nsites":28,"nelements":3,"elements":["Li","V","F"],"chemical_system":"F-Li-V","density":2.728987269161308,"density_atomic":0.07525153395070591,"volume":372.0854383957357,"volume_molar":8.002681731305104,"formula_full":"Li4 V4 F20","formula_reduced":"LiVF5","formula_anonymous":"ABC5","energy":-168.06839093,"energy_per_atom":-6.0024425332142854,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-152.02839093,"band_gap":4.2767,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0003158,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.453000Z","spacegroup":14},{"id":"mp-753783","created_at":"2022-09-04T14:39:26.262739Z","structure_string":"Li10 In2 O8\n1.0\n4.815043 0.000000 0.000000\n0.000000 6.634320 0.000000\n0.000000 0.000000 6.957392\nLi In O\n10 2 8\ndirect\n0.249257 0.762041 0.806316 Li\n0.249257 0.237959 0.806316 Li\n0.765763 0.500000 0.000000 Li\n0.249257 0.762041 0.193684 Li\n0.249257 0.237959 0.193684 Li\n0.750743 0.737959 0.306316 Li\n0.750743 0.262041 0.306316 Li\n0.234237 0.000000 0.500000 Li\n0.750743 0.262041 0.693684 Li\n0.750743 0.737959 0.693684 Li\n0.771672 0.000000 0.000000 In\n0.228328 0.500000 0.500000 In\n0.008607 0.000000 0.747995 O\n0.535596 0.741741 0.000000 O\n0.535596 0.258259 0.000000 O\n0.008607 0.000000 0.252005 O\n0.991393 0.500000 0.247994 O\n0.464404 0.758259 0.500000 O\n0.464404 0.241741 0.500000 O\n0.991393 0.500000 0.752005 O\n","nsites":20,"nelements":3,"elements":["Li","In","O"],"chemical_system":"In-Li-O","density":3.1906253798581634,"density_atomic":0.08998848428008545,"volume":222.250659737204,"volume_molar":6.6921237847015345,"formula_full":"Li10 In2 O8","formula_reduced":"Li5InO4","formula_anonymous":"AB4C5","energy":-104.45529758,"energy_per_atom":-5.2227648790000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.95929758,"band_gap":2.6407000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0005744,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.136000Z","spacegroup":59}]}