{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=88","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=86","results":[{"id":"mp-756915","created_at":"2022-09-04T14:48:30.546375Z","structure_string":"Li3 V1 Cr4 O8\n1.0\n2.973183 5.238631 0.000000\n-2.973183 5.238631 0.000000\n0.000000 3.253637 5.014567\nLi V Cr O\n3 1 4 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 V\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.254560 0.254560 0.265546 O\n0.268647 0.762993 0.730867 O\n0.762993 0.268647 0.730867 O\n0.735379 0.735379 0.279693 O\n0.264621 0.264621 0.720307 O\n0.237007 0.731353 0.269133 O\n0.731353 0.237007 0.269133 O\n0.745440 0.745440 0.734454 O\n","nsites":16,"nelements":4,"elements":["Li","V","Cr","O"],"chemical_system":"Cr-Li-O-V","density":4.33444902204508,"density_atomic":0.10242762413708141,"volume":156.20786027982848,"volume_molar":5.879410765147125,"formula_full":"Li3 V1 Cr4 O8","formula_reduced":"Li3VCr4O8","formula_anonymous":"AB3C4D8","energy":-128.87377848,"energy_per_atom":-8.054611155,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.68177848,"band_gap":0.1432999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.000103,"is_theoretical":true,"updated_at":"2021-11-28T01:39:46.759000Z","spacegroup":12},{"id":"mp-1209166","created_at":"2022-09-04T14:48:27.465560Z","structure_string":"Rb4 Tm4 I12\n1.0\n4.321601 0.000000 0.000000\n0.000000 10.245713 0.000000\n0.000000 0.000000 17.966225\nRb Tm I\n4 4 12\ndirect\n0.250000 0.929587 0.172423 Rb\n0.750000 0.070413 0.827577 Rb\n0.750000 0.570413 0.672423 Rb\n0.250000 0.429587 0.327577 Rb\n0.250000 0.622042 0.957288 Tm\n0.750000 0.377958 0.042712 Tm\n0.750000 0.877958 0.457288 Tm\n0.250000 0.122042 0.542712 Tm\n0.250000 0.546690 0.123744 I\n0.750000 0.453310 0.876256 I\n0.750000 0.953310 0.623744 I\n0.250000 0.046690 0.376256 I\n0.250000 0.675690 0.502747 I\n0.750000 0.324310 0.497253 I\n0.750000 0.824310 0.002747 I\n0.250000 0.175690 0.997253 I\n0.250000 0.770215 0.806014 I\n0.750000 0.229785 0.193986 I\n0.750000 0.729785 0.306014 I\n0.250000 0.270215 0.693986 I\n","nsites":20,"nelements":3,"elements":["Rb","Tm","I"],"chemical_system":"I-Rb-Tm","density":5.3029564183113,"density_atomic":0.025141217643756937,"volume":795.5064183204506,"volume_molar":23.95325813304598,"formula_full":"Rb4 Tm4 I12","formula_reduced":"RbTmI3","formula_anonymous":"ABC3","energy":-69.87214643,"energy_per_atom":-3.4936073215,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.32414643,"band_gap":0.2353000000000005,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.0006406,"is_theoretical":true,"updated_at":"2021-11-28T01:39:46.756000Z","spacegroup":62},{"id":"mp-755374","created_at":"2022-09-04T14:48:26.399490Z","structure_string":"Sm4 Te2 O12\n1.0\n5.089320 0.000000 0.000000\n0.000000 5.089320 0.000000\n0.000000 0.000000 10.320908\nSm Te O\n4 2 12\ndirect\n0.500000 0.500000 0.334573 Sm\n0.500000 0.500000 0.665427 Sm\n0.000000 0.000000 0.165427 Sm\n0.000000 0.000000 0.834573 Sm\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.680796 0.680796 0.142315 O\n0.680796 0.680796 0.857685 O\n0.727418 0.727418 0.500000 O\n0.772582 0.227418 0.000000 O\n0.819204 0.180796 0.357685 O\n0.819204 0.180796 0.642315 O\n0.180796 0.819204 0.357685 O\n0.180796 0.819204 0.642315 O\n0.227418 0.772582 0.000000 O\n0.272582 0.272582 0.500000 O\n0.319204 0.319204 0.142315 O\n0.319204 0.319204 0.857685 O\n","nsites":18,"nelements":3,"elements":["Sm","Te","O"],"chemical_system":"O-Sm-Te","density":6.513810365757402,"density_atomic":0.06733410327825866,"volume":267.32367587364865,"volume_molar":8.943671136620713,"formula_full":"Sm4 Te2 O12","formula_reduced":"Sm2TeO6","formula_anonymous":"AB2C6","energy":-136.33391061,"energy_per_atom":-7.574106145,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-128.08991061,"band_gap":2.2613000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:39:46.745000Z","spacegroup":136},{"id":"mp-758282","created_at":"2022-09-04T14:48:25.849285Z","structure_string":"Li4 Cr3 C6 O18\n1.0\n4.708741 0.000000 0.000000\n-2.336554 5.598861 0.000000\n-0.007611 -2.397963 11.840120\nLi Cr C O\n4 3 6 18\ndirect\n0.242530 0.498246 0.928640 Li\n0.399280 0.807002 0.387494 Li\n0.600720 0.192998 0.612506 Li\n0.757470 0.501754 0.071360 Li\n0.335134 0.672002 0.668195 Cr\n0.664866 0.327998 0.331805 Cr\n0.000000 0.000000 0.000000 Cr\n0.119626 0.245360 0.470338 C\n0.456001 0.903598 0.137220 C\n0.218261 0.428990 0.198901 C\n0.781739 0.571010 0.801099 C\n0.543999 0.096402 0.862780 C\n0.880374 0.754640 0.529662 C\n0.722018 0.894709 0.127136 O\n0.613137 0.774964 0.537710 O\n0.399811 0.498912 0.291771 O\n0.311798 0.375023 0.102968 O\n0.056640 0.347647 0.565826 O\n0.391394 0.008961 0.233302 O\n0.915149 0.154476 0.385668 O\n0.240917 0.800291 0.054043 O\n0.060221 0.573385 0.793519 O\n0.939779 0.426615 0.206481 O\n0.759083 0.199709 0.945957 O\n0.084851 0.845524 0.614332 O\n0.608606 0.991039 0.766698 O\n0.943360 0.652353 0.434174 O\n0.688202 0.624977 0.897032 O\n0.600189 0.501088 0.708229 O\n0.386863 0.225036 0.462290 O\n0.277982 0.105291 0.872864 O\n","nsites":31,"nelements":4,"elements":["Li","Cr","C","O"],"chemical_system":"C-Cr-Li-O","density":2.892892264049399,"density_atomic":0.09931185663057081,"volume":312.14802594333315,"volume_molar":6.063868871570594,"formula_full":"Li4 Cr3 C6 O18","formula_reduced":"Li4Cr3(CO3)6","formula_anonymous":"A3B4C6D18","energy":-244.90864685,"energy_per_atom":-7.900278930645161,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-226.54564685,"band_gap":0.6537999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9985246,"is_theoretical":true,"updated_at":"2021-11-28T01:39:46.735000Z","spacegroup":2},{"id":"mp-1211103","created_at":"2022-09-04T14:48:30.187475Z","structure_string":"Pr4 I4 Cl4 O52\n1.0\n7.167653 0.000000 0.000000\n0.000000 13.236863 0.000000\n0.000000 5.605228 12.112072\nPr I Cl O\n4 4 4 52\ndirect\n0.877341 0.816742 0.003307 Pr\n0.122659 0.183258 0.996693 Pr\n0.377341 0.683258 0.996693 Pr\n0.622659 0.316742 0.003307 Pr\n0.379193 0.900915 0.083588 I\n0.620807 0.099085 0.916412 I\n0.879193 0.599085 0.916412 I\n0.120807 0.400915 0.083588 I\n0.723256 0.876307 0.464793 Cl\n0.276744 0.123693 0.535207 Cl\n0.223256 0.623693 0.535207 Cl\n0.776744 0.376307 0.464793 Cl\n0.582441 0.859106 0.547781 O\n0.417559 0.140894 0.452219 O\n0.082441 0.640894 0.452219 O\n0.917559 0.359106 0.547781 O\n0.315485 0.499476 0.075161 O\n0.684515 0.500524 0.924839 O\n0.815485 0.000524 0.924839 O\n0.184515 0.999476 0.075161 O\n0.559068 0.799645 0.066124 O\n0.440932 0.200355 0.933876 O\n0.059068 0.700355 0.933876 O\n0.940932 0.299645 0.066124 O\n0.687578 0.974966 0.364514 O\n0.312422 0.025034 0.635486 O\n0.187578 0.525034 0.635486 O\n0.812422 0.474966 0.364514 O\n0.734167 0.777609 0.439923 O\n0.265833 0.222391 0.560077 O\n0.234167 0.722391 0.560077 O\n0.765833 0.277609 0.439923 O\n0.369142 0.827883 0.230603 O\n0.630858 0.172117 0.769397 O\n0.869142 0.672117 0.769397 O\n0.130858 0.327883 0.230603 O\n0.916830 0.812126 0.243539 O\n0.083170 0.187874 0.756461 O\n0.416830 0.687874 0.756461 O\n0.583170 0.312126 0.243539 O\n0.580921 0.004969 0.081938 O\n0.419079 0.995031 0.918062 O\n0.080921 0.495031 0.918062 O\n0.919079 0.504969 0.081938 O\n0.911654 0.726293 0.227845 O\n0.088346 0.273707 0.772155 O\n0.411654 0.773707 0.772155 O\n0.588346 0.226293 0.227845 O\n0.701589 0.533468 0.669676 O\n0.298411 0.466532 0.330324 O\n0.201589 0.966532 0.330324 O\n0.798411 0.033468 0.669676 O\n0.342558 0.561873 0.269814 O\n0.657442 0.438127 0.730186 O\n0.842558 0.938127 0.730186 O\n0.157442 0.061873 0.269814 O\n0.909654 0.883518 0.508449 O\n0.090346 0.116482 0.491551 O\n0.409654 0.616482 0.491551 O\n0.590346 0.383518 0.508449 O\n0.205331 0.816171 0.038812 O\n0.794669 0.183829 0.961188 O\n0.705331 0.683829 0.961188 O\n0.294669 0.316171 0.038812 O\n","nsites":64,"nelements":4,"elements":["Pr","I","Cl","O"],"chemical_system":"Cl-I-O-Pr","density":2.955072483888269,"density_atomic":0.055692855285093164,"volume":1149.1599716405694,"volume_molar":10.813129851526746,"formula_full":"Pr4 I4 Cl4 O52","formula_reduced":"PrIClO13","formula_anonymous":"ABCD13","energy":-326.13382804,"energy_per_atom":-5.095841063125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-317.76182804,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.5391251,"is_theoretical":true,"updated_at":"2021-11-28T01:39:46.695000Z","spacegroup":14},{"id":"mp-1179552","created_at":"2022-09-04T14:48:30.054536Z","structure_string":"Sr2 V24 O60\n1.0\n11.242703 0.000000 0.000000\n0.000000 9.240731 0.000000\n0.000000 4.079725 11.134195\nSr V O\n2 24 60\ndirect\n0.250000 0.046099 0.511700 Sr\n0.750000 0.953901 0.488300 Sr\n0.250000 0.549166 0.589580 V\n0.750000 0.450834 0.410420 V\n0.250000 0.206963 0.809131 V\n0.750000 0.793037 0.190869 V\n0.250000 0.513987 0.893863 V\n0.750000 0.486013 0.106137 V\n0.250000 0.791483 0.972895 V\n0.750000 0.208517 0.027105 V\n0.413838 0.473787 0.407929 V\n0.913838 0.526213 0.592071 V\n0.586162 0.526213 0.592071 V\n0.086162 0.473787 0.407929 V\n0.418251 0.798497 0.183356 V\n0.918251 0.201503 0.816644 V\n0.581749 0.201503 0.816644 V\n0.081749 0.798497 0.183356 V\n0.416173 0.488037 0.104139 V\n0.916173 0.511963 0.895861 V\n0.583827 0.511963 0.895861 V\n0.083827 0.488037 0.104139 V\n0.416285 0.209706 0.027146 V\n0.916285 0.790294 0.972854 V\n0.583715 0.790294 0.972854 V\n0.083715 0.209706 0.027146 V\n0.250000 0.731456 0.573337 O\n0.750000 0.268544 0.426663 O\n0.250000 0.526804 0.430552 O\n0.750000 0.473196 0.569448 O\n0.250000 0.203874 0.669743 O\n0.750000 0.796126 0.330257 O\n0.250000 0.983960 0.894964 O\n0.750000 0.016040 0.105036 O\n0.250000 0.263083 0.979224 O\n0.750000 0.736917 0.020776 O\n0.250000 0.449184 0.749625 O\n0.750000 0.550816 0.250375 O\n0.250000 0.711226 0.833735 O\n0.750000 0.288774 0.166265 O\n0.250000 0.536994 0.058499 O\n0.750000 0.463006 0.941501 O\n0.250000 0.791605 0.143386 O\n0.750000 0.208395 0.856614 O\n0.250000 0.050672 0.309702 O\n0.750000 0.949328 0.690298 O\n0.395657 0.291114 0.433269 O\n0.895657 0.708886 0.566731 O\n0.604343 0.708886 0.566731 O\n0.104343 0.291114 0.433269 O\n0.416883 0.505095 0.565696 O\n0.916883 0.494905 0.434304 O\n0.583117 0.494905 0.434304 O\n0.083117 0.505095 0.565696 O\n0.422150 0.778279 0.325536 O\n0.922150 0.221721 0.674464 O\n0.577850 0.221721 0.674464 O\n0.077850 0.778279 0.325536 O\n0.417380 0.014050 0.107548 O\n0.917380 0.985950 0.892452 O\n0.582620 0.985950 0.892452 O\n0.082620 0.014050 0.107548 O\n0.416991 0.736640 0.016278 O\n0.916991 0.263360 0.983722 O\n0.583009 0.263360 0.983722 O\n0.083009 0.736640 0.016278 O\n0.415153 0.555538 0.245390 O\n0.915153 0.444462 0.754610 O\n0.584847 0.444462 0.754610 O\n0.084847 0.555538 0.245390 O\n0.416842 0.291299 0.163345 O\n0.916842 0.708701 0.836655 O\n0.583158 0.708701 0.836655 O\n0.083158 0.291299 0.163345 O\n0.416384 0.463470 0.939369 O\n0.916384 0.536530 0.060631 O\n0.583616 0.536530 0.060631 O\n0.083616 0.463470 0.939369 O\n0.421567 0.208181 0.857865 O\n0.921567 0.791819 0.142135 O\n0.578433 0.791819 0.142135 O\n0.078433 0.208181 0.857865 O\n0.490581 0.985849 0.555898 O\n0.990581 0.014151 0.444102 O\n0.509419 0.014151 0.444102 O\n0.009419 0.985849 0.555898 O\n","nsites":86,"nelements":3,"elements":["Sr","V","O"],"chemical_system":"O-Sr-V","density":3.3846999244944205,"density_atomic":0.07434684820227011,"volume":1156.7403606138892,"volume_molar":8.100061946965116,"formula_full":"Sr2 V24 O60","formula_reduced":"SrV12O30","formula_anonymous":"AB12C30","energy":-681.12791955,"energy_per_atom":-7.920092087790698,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-630.66791955,"band_gap":0.3614999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.3585583,"is_theoretical":false,"updated_at":"2021-11-28T01:39:46.689000Z","spacegroup":11},{"id":"mp-767146","created_at":"2022-09-04T14:48:28.413267Z","structure_string":"Li7 Ti12 Nb1 O30\n1.0\n23.614294 -2.570398 0.000000\n23.614294 2.570398 0.000000\n23.334508 0.000000 4.443259\nLi Ti Nb O\n7 12 1 30\ndirect\n0.025842 0.025842 0.025842 Li\n0.245702 0.245702 0.245702 Li\n0.608413 0.608413 0.608413 Li\n0.390899 0.390899 0.390899 Li\n0.526255 0.526255 0.526255 Li\n0.973839 0.973839 0.973839 Li\n0.890112 0.890112 0.890112 Li\n0.104928 0.104928 0.104928 Ti\n0.162054 0.162054 0.162054 Ti\n0.203838 0.203838 0.203838 Ti\n0.065052 0.065052 0.065052 Ti\n0.296013 0.296013 0.296013 Ti\n0.662165 0.662165 0.662165 Ti\n0.338203 0.338203 0.338203 Ti\n0.432449 0.432449 0.432449 Ti\n0.566219 0.566219 0.566219 Ti\n0.704392 0.704392 0.704392 Ti\n0.797724 0.797724 0.797724 Ti\n0.838054 0.838054 0.838054 Ti\n0.932094 0.932094 0.932094 Nb\n0.595788 0.005968 0.350838 O\n0.759563 0.015747 0.374778 O\n0.350838 0.595788 0.005968 O\n0.904728 0.148925 0.495377 O\n0.005968 0.350838 0.595788 O\n0.869816 0.254712 0.625115 O\n0.779362 0.111944 0.457383 O\n0.506404 0.067821 0.876107 O\n0.621757 0.244109 0.985168 O\n0.762954 0.327510 0.163900 O\n0.879755 0.507746 0.263551 O\n0.985168 0.621757 0.244109 O\n0.876107 0.506404 0.067821 O\n0.507746 0.263551 0.879755 O\n0.327510 0.163900 0.762954 O\n0.625115 0.869816 0.254712 O\n0.457383 0.779362 0.111944 O\n0.148925 0.495377 0.904728 O\n0.015747 0.374778 0.759563 O\n0.111944 0.457383 0.779362 O\n0.254712 0.625115 0.869816 O\n0.374778 0.759563 0.015747 O\n0.495377 0.904728 0.148925 O\n0.263551 0.879755 0.507746 O\n0.163900 0.762954 0.327510 O\n0.994757 0.648115 0.406705 O\n0.067821 0.876107 0.506404 O\n0.648115 0.406705 0.994757 O\n0.244109 0.985168 0.621757 O\n0.406705 0.994757 0.648115 O\n","nsites":50,"nelements":4,"elements":["Li","Ti","Nb","O"],"chemical_system":"Li-Nb-O-Ti","density":3.681539882582088,"density_atomic":0.0926964364672169,"volume":539.3950609706884,"volume_molar":6.496625964828536,"formula_full":"Li7 Ti12 Nb1 O30","formula_reduced":"Li7Ti12NbO30","formula_anonymous":"AB7C12D30","energy":-428.26741031,"energy_per_atom":-8.5653482062,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-407.65741030999993,"band_gap":2.5023000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0601447,"is_theoretical":true,"updated_at":"2021-11-28T01:39:46.687000Z","spacegroup":146},{"id":"mp-1203025","created_at":"2022-09-04T14:48:29.529286Z","structure_string":"Np16 N24\n1.0\n-5.293061 5.293061 5.293061\n5.293061 -5.293061 5.293061\n5.293061 5.293061 -5.293061\nNp N\n16 24\ndirect\n0.500000 0.000000 0.500000 Np\n0.500000 0.500000 0.000000 Np\n0.000000 0.500000 0.500000 Np\n0.000000 0.000000 0.000000 Np\n0.773814 0.250000 0.023814 Np\n0.726186 0.750000 0.476186 Np\n0.250000 0.023814 0.773814 Np\n0.750000 0.476186 0.726186 Np\n0.023814 0.773814 0.250000 Np\n0.476186 0.726186 0.750000 Np\n0.226186 0.750000 0.976186 Np\n0.273814 0.250000 0.523814 Np\n0.750000 0.976186 0.226186 Np\n0.250000 0.523814 0.273814 Np\n0.976186 0.226186 0.750000 Np\n0.523814 0.273814 0.250000 Np\n0.497196 0.233833 0.470473 N\n0.236640 0.266167 0.763363 N\n0.002804 0.473277 0.736637 N\n0.263360 0.026723 0.029527 N\n0.233833 0.470473 0.497196 N\n0.266167 0.763363 0.236640 N\n0.473277 0.736637 0.002804 N\n0.026723 0.029527 0.263360 N\n0.470473 0.497196 0.233833 N\n0.763363 0.236640 0.266167 N\n0.736637 0.002804 0.473277 N\n0.029527 0.263360 0.026723 N\n0.502804 0.766167 0.529527 N\n0.763360 0.733833 0.236637 N\n0.997196 0.526723 0.263363 N\n0.736640 0.973277 0.970473 N\n0.766167 0.529527 0.502804 N\n0.733833 0.236637 0.763360 N\n0.526723 0.263363 0.997196 N\n0.973277 0.970473 0.736640 N\n0.529527 0.502804 0.766167 N\n0.236637 0.763360 0.733833 N\n0.263363 0.997196 0.526723 N\n0.970473 0.736640 0.973277 N\n","nsites":40,"nelements":2,"elements":["Np","N"],"chemical_system":"N-Np","density":11.556465165416006,"density_atomic":0.06743405919480878,"volume":593.1720628658119,"volume_molar":8.93041414369372,"formula_full":"Np16 N24","formula_reduced":"Np2N3","formula_anonymous":"A2B3","energy":-462.3921950099999,"energy_per_atom":-11.559804875249998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-453.7281950099999,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":40.0011276,"is_theoretical":false,"updated_at":"2021-11-28T01:39:46.678000Z","spacegroup":206},{"id":"mp-1177654","created_at":"2022-09-04T14:48:29.545956Z","structure_string":"Li3 Mg1 Ti8 O16\n1.0\n10.025951 -2.993924 0.000000\n10.025951 2.993924 0.000000\n9.131913 0.000000 5.107978\nLi Mg Ti O\n3 1 8 16\ndirect\n0.188193 0.188193 0.188193 Li\n0.310397 0.310397 0.310397 Li\n0.813458 0.813458 0.813458 Li\n0.998640 0.998640 0.998640 Mg\n0.753645 0.753645 0.241660 Ti\n0.501010 0.501010 0.501010 Ti\n0.241660 0.753645 0.753645 Ti\n0.753645 0.241660 0.753645 Ti\n0.688058 0.688058 0.688058 Ti\n0.255809 0.255809 0.744588 Ti\n0.255809 0.744588 0.255809 Ti\n0.744588 0.255809 0.255809 Ti\n0.395167 0.841313 0.395167 O\n0.841313 0.395167 0.395167 O\n0.395167 0.395167 0.841313 O\n0.622880 0.622880 0.622880 O\n0.880071 0.880071 0.880071 O\n0.106308 0.106308 0.649108 O\n0.106308 0.649108 0.106308 O\n0.649108 0.106308 0.106308 O\n0.882194 0.365118 0.882194 O\n0.365118 0.882194 0.882194 O\n0.882194 0.882194 0.365118 O\n0.117687 0.117687 0.117687 O\n0.381403 0.381403 0.381403 O\n0.608417 0.608417 0.153327 O\n0.153327 0.608417 0.608417 O\n0.608417 0.153327 0.608417 O\n","nsites":28,"nelements":4,"elements":["Li","Mg","Ti","O"],"chemical_system":"Li-Mg-O-Ti","density":3.7041995529901603,"density_atomic":0.09130880692097766,"volume":306.6516905015782,"volume_molar":6.595355873187353,"formula_full":"Li3 Mg1 Ti8 O16","formula_reduced":"Li3MgTi8O16","formula_anonymous":"AB3C8D16","energy":-239.54953322,"energy_per_atom":-8.555340472142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-228.55753322,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.7054534,"is_theoretical":true,"updated_at":"2021-11-28T01:39:46.650000Z","spacegroup":160},{"id":"mp-1264","created_at":"2022-09-04T14:48:28.673599Z","structure_string":"Cd1 Au3\n1.0\n4.215924 0.000000 0.000000\n0.000000 4.215924 0.000000\n0.000000 0.000000 4.215924\nCd Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n","nsites":4,"nelements":2,"elements":["Cd","Au"],"chemical_system":"Au-Cd","density":15.585401926086014,"density_atomic":0.05338038127293872,"volume":74.93389714748642,"volume_molar":11.281561907938142,"formula_full":"Cd1 Au3","formula_reduced":"CdAu3","formula_anonymous":"AB3","energy":-11.26506918,"energy_per_atom":-2.816267295,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.26506918,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001412,"is_theoretical":false,"updated_at":"2021-11-28T01:39:46.649000Z","spacegroup":221},{"id":"mp-981313","created_at":"2022-09-04T14:48:30.649939Z","structure_string":"K1 Tb1 O3\n1.0\n4.494844 0.000000 0.000000\n0.000000 4.494844 0.000000\n0.000000 0.000000 4.494844\nK Tb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Tb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["K","Tb","O"],"chemical_system":"K-O-Tb","density":4.498615826795687,"density_atomic":0.05505872292133723,"volume":90.81213175146713,"volume_molar":10.937668802460008,"formula_full":"K1 Tb1 O3","formula_reduced":"KTbO3","formula_anonymous":"ABC3","energy":-31.97774852,"energy_per_atom":-6.395549704,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.91674852,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.999593,"is_theoretical":true,"updated_at":"2021-11-28T01:39:46.642000Z","spacegroup":221},{"id":"mp-1184481","created_at":"2022-09-04T14:48:28.353152Z","structure_string":"Gd1 Cu1 O3\n1.0\n3.798793 0.000000 0.000000\n0.000000 3.798793 0.000000\n0.000000 0.000000 3.798793\nGd Cu O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Gd","Cu","O"],"chemical_system":"Cu-Gd-O","density":8.142018852244014,"density_atomic":0.09120803874438443,"volume":54.819729366320175,"volume_molar":6.602642533381713,"formula_full":"Gd1 Cu1 O3","formula_reduced":"GdCuO3","formula_anonymous":"ABC3","energy":-44.25102485,"energy_per_atom":-8.85020497,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.19002485,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.994289,"is_theoretical":true,"updated_at":"2021-11-28T01:39:46.589000Z","spacegroup":221}]}