{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=53","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=51","results":[{"id":"mp-20560","created_at":"2022-09-04T14:39:09.568257Z","structure_string":"Ce2 S2\n1.0\n3.965924 0.000000 0.000000\n0.000000 3.965924 0.000000\n0.000000 0.000000 10.419658\nCe S\n2 2\ndirect\n0.500000 0.000000 0.379532 Ce\n0.000000 0.500000 0.620468 Ce\n0.000000 0.500000 0.346366 S\n0.500000 0.000000 0.653634 S\n","nsites":4,"nelements":2,"elements":["Ce","S"],"chemical_system":"Ce-S","density":3.4891695962585785,"density_atomic":0.024407188309329038,"volume":163.88614490556046,"volume_molar":24.67363583087605,"formula_full":"Ce2 S2","formula_reduced":"CeS","formula_anonymous":"AB","energy":-28.04605238,"energy_per_atom":-7.011513095,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.04005238,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.8892719,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31Z","spacegroup":129},{"id":"mp-977443","created_at":"2022-09-04T14:39:09.594374Z","structure_string":"Zr1 Ge1 Ru2\n1.0\n0.000000 3.151015 3.151015\n3.151015 0.000000 3.151015\n3.151015 3.151015 0.000000\nZr Ge Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Ge\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n","nsites":4,"nelements":3,"elements":["Zr","Ge","Ru"],"chemical_system":"Ge-Ru-Zr","density":9.713002976249195,"density_atomic":0.06392615506440973,"volume":62.57219749834386,"volume_molar":9.420464524938666,"formula_full":"Zr1 Ge1 Ru2","formula_reduced":"ZrGeRu2","formula_anonymous":"ABC2","energy":-34.1114647,"energy_per_atom":-8.527866175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.1114647,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010323,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.899000Z","spacegroup":225},{"id":"mp-1221055","created_at":"2022-09-04T14:39:09.595008Z","structure_string":"Na1 Mg2 Al6 V1 Si6 B3 H3 O31\n1.0\n8.056804 5.246609 0.000000\n-8.056804 5.246609 0.000000\n0.000000 3.333558 6.415584\nNa Mg Al V Si B H O\n1 2 6 1 6 3 3 31\ndirect\n0.995467 0.995467 0.779790 Na\n0.998597 0.815952 0.426230 Mg\n0.815952 0.998597 0.426230 Mg\n0.560115 0.332173 0.093321 Al\n0.775415 0.443288 0.651999 Al\n0.668595 0.224824 0.427305 Al\n0.443288 0.775415 0.651999 Al\n0.332173 0.560115 0.093321 Al\n0.224824 0.668595 0.427305 Al\n0.178458 0.178458 0.243546 V\n0.382387 0.192897 0.807959 Si\n0.810803 0.617161 0.193042 Si\n0.806451 0.188795 0.004358 Si\n0.617161 0.810803 0.193042 Si\n0.192897 0.382387 0.807959 Si\n0.188795 0.806451 0.004358 Si\n0.333094 0.000951 0.440278 B\n0.668702 0.668702 0.772614 B\n0.000951 0.333094 0.440278 B\n0.383655 0.383655 0.367965 H\n0.999780 0.615290 0.753314 H\n0.615290 0.999780 0.753314 H\n0.571279 0.283802 0.635557 O\n0.713291 0.428859 0.206595 O\n0.715033 0.286004 0.920064 O\n0.428859 0.713291 0.206595 O\n0.283802 0.571279 0.635557 O\n0.286004 0.715033 0.920064 O\n0.484077 0.149239 0.350410 O\n0.665012 0.516140 0.835384 O\n0.851606 0.333608 0.501855 O\n0.516140 0.665012 0.835384 O\n0.149239 0.484077 0.350410 O\n0.333608 0.851606 0.501855 O\n0.187945 0.001580 0.462109 O\n0.812716 0.812716 0.649989 O\n0.001580 0.187945 0.462109 O\n0.281724 0.281724 0.721679 O\n0.000074 0.719604 0.004651 O\n0.719604 0.000074 0.004651 O\n0.280128 0.999736 0.836195 O\n0.719963 0.719963 0.117612 O\n0.999736 0.280128 0.836195 O\n0.009611 0.009611 0.215160 O\n0.386509 0.204983 0.026902 O\n0.818447 0.612470 0.414475 O\n0.794923 0.181934 0.233044 O\n0.612470 0.818447 0.414475 O\n0.204983 0.386509 0.026902 O\n0.181934 0.794923 0.233044 O\n0.395352 0.395352 0.225635 O\n0.000021 0.601550 0.623909 O\n0.601550 0.000021 0.623909 O\n","nsites":53,"nelements":8,"elements":["Na","Mg","Al","V","Si","B","H","O"],"chemical_system":"Al-B-H-Mg-Na-O-Si-V","density":3.0137342125333424,"density_atomic":0.09771656227535347,"volume":542.385024256711,"volume_molar":6.16286596639609,"formula_full":"Na1 Mg2 Al6 V1 Si6 B3 H3 O31","formula_reduced":"NaMg2Al6VSi6B3H3O31","formula_anonymous":"ABC2D3E3F6G6H31","energy":-413.47202561,"energy_per_atom":-7.801358973773585,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-390.47502561,"band_gap":5.109,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9985646,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.197000Z","spacegroup":8},{"id":"mp-1187540","created_at":"2022-09-04T14:39:09.600931Z","structure_string":"Tl2 Rh6\n1.0\n2.855986 -4.946712 0.000000\n2.855986 4.946712 0.000000\n0.000000 0.000000 4.571290\nTl Rh\n2 6\ndirect\n0.333333 0.666667 0.750000 Tl\n0.666667 0.333333 0.250000 Tl\n0.160467 0.320935 0.250000 Rh\n0.679065 0.839533 0.250000 Rh\n0.160467 0.839533 0.250000 Rh\n0.839533 0.679065 0.750000 Rh\n0.320935 0.160467 0.750000 Rh\n0.839533 0.160467 0.750000 Rh\n","nsites":8,"nelements":2,"elements":["Tl","Rh"],"chemical_system":"Rh-Tl","density":13.192875644520448,"density_atomic":0.06193676488506437,"volume":129.16399516257502,"volume_molar":9.723046999912322,"formula_full":"Tl2 Rh6","formula_reduced":"TlRh3","formula_anonymous":"AB3","energy":-47.74553665,"energy_per_atom":-5.96819208125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.74553665,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013185,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.037000Z","spacegroup":194},{"id":"mp-1186909","created_at":"2022-09-04T14:40:13.481992Z","structure_string":"Ru3 F1\n1.0\n0.000000 2.981325 2.981325\n2.981325 0.000000 2.981325\n2.981325 2.981325 0.000000\nRu F\n3 1\ndirect\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 F\n","nsites":4,"nelements":2,"elements":["Ru","F"],"chemical_system":"F-Ru","density":10.095503850275673,"density_atomic":0.07547481027396377,"volume":52.9978145752274,"volume_molar":7.979007483609976,"formula_full":"Ru3 F1","formula_reduced":"Ru3F","formula_anonymous":"AB3","energy":-28.7699964,"energy_per_atom":-7.1924991,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.3079964,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003155,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.166000Z","spacegroup":225},{"id":"mp-780994","created_at":"2022-09-04T14:39:09.496151Z","structure_string":"Li4 Mn4 Si8 O22\n1.0\n9.767173 0.000000 0.000000\n-1.047988 7.627840 0.000000\n-1.450580 -2.786071 6.341006\nLi Mn Si O\n4 4 8 22\ndirect\n0.906089 0.440996 0.590705 Li\n0.384920 0.445940 0.610247 Li\n0.615080 0.554060 0.389753 Li\n0.093911 0.559004 0.409295 Li\n0.667978 0.240688 0.787280 Mn\n0.109260 0.213679 0.658628 Mn\n0.890740 0.786321 0.341372 Mn\n0.332022 0.759312 0.212720 Mn\n0.248309 0.052636 0.370665 Si\n0.954076 0.239270 0.230804 Si\n0.523557 0.237066 0.220004 Si\n0.783410 0.599149 0.970772 Si\n0.216590 0.400851 0.029228 Si\n0.476443 0.762934 0.779996 Si\n0.045924 0.760730 0.769196 Si\n0.751691 0.947364 0.629335 Si\n0.811142 0.120568 0.648231 O\n0.401295 0.086321 0.255077 O\n0.343045 0.148717 0.591509 O\n0.021454 0.088547 0.253246 O\n0.693778 0.194852 0.132639 O\n0.357443 0.281785 0.035318 O\n0.654561 0.450353 0.812641 O\n0.619647 0.362620 0.408371 O\n0.124271 0.411010 0.808775 O\n0.008296 0.309200 0.064993 O\n0.065686 0.349868 0.437914 O\n0.934314 0.650132 0.562086 O\n0.991704 0.690800 0.935007 O\n0.875729 0.588990 0.191225 O\n0.380353 0.637380 0.591629 O\n0.345439 0.549647 0.187359 O\n0.642557 0.718215 0.964682 O\n0.306222 0.805148 0.867361 O\n0.978546 0.911453 0.746754 O\n0.656956 0.851283 0.408491 O\n0.598705 0.913679 0.744923 O\n0.188858 0.879432 0.351769 O\n","nsites":38,"nelements":4,"elements":["Li","Mn","Si","O"],"chemical_system":"Li-Mn-O-Si","density":2.896984875685383,"density_atomic":0.08043683568817157,"volume":472.4203740101625,"volume_molar":7.486794711002748,"formula_full":"Li4 Mn4 Si8 O22","formula_reduced":"Li2Mn2Si4O11","formula_anonymous":"A2B2C4D11","energy":-235.37505508,"energy_per_atom":-6.194080396842105,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-213.58905508000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.5045477,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.067000Z","spacegroup":2},{"id":"mp-1190536","created_at":"2022-09-04T14:39:09.534314Z","structure_string":"P2 H12 N2 O8\n1.0\n-3.868360 -3.868360 3.517741\n-3.868360 3.868360 -3.517741\n3.868360 -3.868360 -3.517741\nP H N O\n2 12 2 8\ndirect\n0.500000 0.750000 0.250000 P\n0.000000 0.000000 0.000000 P\n0.618328 0.267428 0.675003 H\n0.907575 0.482572 0.600900 H\n0.381672 0.056675 0.649100 H\n0.092425 0.693325 0.574997 H\n0.592425 0.324997 0.943325 H\n0.118328 0.425003 0.517428 H\n0.407575 0.350900 0.732572 H\n0.881672 0.399100 0.306675 H\n0.883998 0.008998 0.625000 H\n0.116002 0.741002 0.125000 H\n0.383998 0.375000 0.258998 H\n0.616002 0.875000 0.991002 H\n0.500000 0.250000 0.750000 N\n0.000000 0.500000 0.500000 N\n0.730658 0.014013 0.469880 O\n0.955867 0.735987 0.966645 O\n0.269342 0.739222 0.283355 O\n0.044133 0.010778 0.780120 O\n0.544133 0.530120 0.260778 O\n0.230658 0.219880 0.264013 O\n0.455867 0.716645 0.985987 O\n0.769342 0.033355 0.989222 O\n","nsites":24,"nelements":4,"elements":["P","H","N","O"],"chemical_system":"H-N-O-P","density":1.8142468004216685,"density_atomic":0.11398130420585048,"volume":210.56084738823438,"volume_molar":5.283446089653442,"formula_full":"P2 H12 N2 O8","formula_reduced":"PH6NO4","formula_anonymous":"ABC4D6","energy":-142.25519347,"energy_per_atom":-5.927299727916666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-136.03719347,"band_gap":5.3176000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002032,"is_theoretical":false,"updated_at":"2021-11-28T01:34:42.011000Z","spacegroup":122},{"id":"mp-1652","created_at":"2022-09-04T14:39:09.568969Z","structure_string":"Zn1 Pd1\n1.0\n2.914454 0.000000 0.000000\n0.000000 2.914454 0.000000\n0.000000 0.000000 3.417662\nZn Pd\n1 1\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Pd\n","nsites":2,"nelements":2,"elements":["Zn","Pd"],"chemical_system":"Pd-Zn","density":9.82883490567103,"density_atomic":0.06889480510182482,"volume":29.029764973484568,"volume_molar":8.741066545002088,"formula_full":"Zn1 Pd1","formula_reduced":"ZnPd","formula_anonymous":"AB","energy":-7.5921868,"energy_per_atom":-3.7960934,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.5921868,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006656,"is_theoretical":false,"updated_at":"2021-11-28T01:34:36.386000Z","spacegroup":123},{"id":"mp-1213935","created_at":"2022-09-04T14:39:09.767323Z","structure_string":"Cd2 Ni2 P8 O24\n1.0\n4.333652 6.062175 0.000000\n-4.333652 6.062175 0.000000\n0.000000 4.712122 8.906153\nCd Ni P O\n2 2 8 24\ndirect\n0.450132 0.549868 0.250000 Cd\n0.549868 0.450132 0.750000 Cd\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.767562 0.219387 0.475034 P\n0.232438 0.780613 0.524966 P\n0.780613 0.232438 0.024966 P\n0.219387 0.767562 0.975034 P\n0.812813 0.805156 0.196073 P\n0.187187 0.194844 0.803927 P\n0.194844 0.187187 0.303927 P\n0.805156 0.812813 0.696073 P\n0.593124 0.324401 0.418757 O\n0.406876 0.675599 0.581243 O\n0.675599 0.406876 0.081243 O\n0.324401 0.593124 0.918757 O\n0.309360 0.153534 0.155659 O\n0.690640 0.846466 0.844341 O\n0.846466 0.690640 0.344341 O\n0.153534 0.309360 0.655659 O\n0.627451 0.799311 0.169146 O\n0.372549 0.200689 0.830854 O\n0.200689 0.372549 0.330854 O\n0.799311 0.627451 0.669146 O\n0.302266 0.813051 0.073071 O\n0.697734 0.186949 0.926929 O\n0.186949 0.697734 0.426929 O\n0.813051 0.302266 0.573071 O\n0.811208 0.035220 0.162762 O\n0.188792 0.964780 0.837238 O\n0.964780 0.188792 0.337238 O\n0.035220 0.811208 0.662762 O\n0.738188 0.995873 0.562832 O\n0.261812 0.004127 0.437168 O\n0.004127 0.261812 0.937168 O\n0.995873 0.738188 0.062832 O\n","nsites":36,"nelements":4,"elements":["Cd","Ni","P","O"],"chemical_system":"Cd-Ni-O-P","density":3.4561970162970725,"density_atomic":0.07693072946107012,"volume":467.953446590122,"volume_molar":7.82800423470238,"formula_full":"Cd2 Ni2 P8 O24","formula_reduced":"CdNi(PO3)4","formula_anonymous":"ABC4D12","energy":-262.3639927,"energy_per_atom":-7.287888686111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-240.7939927,"band_gap":0.0429999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.0007186,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.715000Z","spacegroup":15},{"id":"mp-1204278","created_at":"2022-09-04T14:39:09.769004Z","structure_string":"Rb8 U12 P24 O100\n1.0\n16.683406 0.000000 0.000000\n0.000000 6.899284 0.000000\n0.000000 2.727912 19.932546\nRb U P O\n8 12 24 100\ndirect\n0.077312 0.242480 0.869290 Rb\n0.577312 0.757520 0.630710 Rb\n0.922688 0.757520 0.130710 Rb\n0.422688 0.242480 0.369290 Rb\n0.068699 0.348263 0.620423 Rb\n0.568699 0.651737 0.879577 Rb\n0.931301 0.651737 0.379577 Rb\n0.431301 0.348263 0.120423 Rb\n0.165184 0.795762 0.747898 U\n0.665184 0.204238 0.752102 U\n0.834816 0.204238 0.252102 U\n0.334816 0.795762 0.247898 U\n0.883941 0.613424 0.902147 U\n0.383941 0.386576 0.597853 U\n0.116059 0.386576 0.097853 U\n0.616059 0.613424 0.402147 U\n0.892025 0.783215 0.601263 U\n0.392025 0.216785 0.898737 U\n0.107975 0.216785 0.398737 U\n0.607975 0.783215 0.101263 U\n0.859211 0.304196 0.540668 P\n0.359211 0.695804 0.959332 P\n0.140789 0.695804 0.459332 P\n0.640789 0.304196 0.040668 P\n0.180150 0.665330 0.931110 P\n0.680150 0.334670 0.568890 P\n0.819850 0.334670 0.068890 P\n0.319850 0.665330 0.431110 P\n0.175836 0.946751 0.559365 P\n0.675836 0.053249 0.940635 P\n0.824164 0.053249 0.440635 P\n0.324164 0.946751 0.059365 P\n0.855771 0.077412 0.969375 P\n0.355771 0.922588 0.530625 P\n0.144229 0.922588 0.030625 P\n0.644229 0.077412 0.469375 P\n0.947068 0.961919 0.758589 P\n0.447068 0.038081 0.741411 P\n0.052932 0.038081 0.241411 P\n0.552932 0.961919 0.258589 P\n0.882555 0.378714 0.745798 P\n0.382555 0.621286 0.754202 P\n0.117445 0.621286 0.254202 P\n0.617445 0.378714 0.245798 P\n0.162613 0.492760 0.982276 O\n0.662613 0.507240 0.517724 O\n0.837387 0.507240 0.017724 O\n0.337387 0.492760 0.482276 O\n0.162900 0.735025 0.535076 O\n0.662900 0.264975 0.964924 O\n0.837100 0.264975 0.464924 O\n0.337100 0.735025 0.035076 O\n0.124220 0.100098 0.520682 O\n0.624220 0.899902 0.979318 O\n0.875780 0.899902 0.479318 O\n0.375780 0.100098 0.020682 O\n0.909363 0.140590 0.575389 O\n0.409363 0.859410 0.924611 O\n0.090637 0.859410 0.424611 O\n0.590637 0.140590 0.075389 O\n0.898100 0.494968 0.676846 O\n0.398100 0.505032 0.823154 O\n0.101900 0.505032 0.323154 O\n0.601900 0.494968 0.176846 O\n0.853996 0.135082 0.045567 O\n0.353996 0.864918 0.454433 O\n0.146004 0.864918 0.954433 O\n0.646004 0.135082 0.545567 O\n0.891298 0.508599 0.533867 O\n0.391298 0.491401 0.966133 O\n0.108702 0.491401 0.466133 O\n0.608702 0.508599 0.033867 O\n0.948058 0.200142 0.750354 O\n0.448058 0.799858 0.749646 O\n0.051942 0.799858 0.249646 O\n0.551942 0.200142 0.250354 O\n0.193699 0.028015 0.772748 O\n0.693699 0.971985 0.727252 O\n0.806301 0.971985 0.227252 O\n0.306301 0.028015 0.272748 O\n0.907871 0.490509 0.802802 O\n0.407871 0.509491 0.697198 O\n0.092129 0.509491 0.197198 O\n0.592129 0.490509 0.302802 O\n0.151264 0.660566 0.860257 O\n0.651264 0.339434 0.639743 O\n0.848736 0.339434 0.139743 O\n0.348736 0.660566 0.360257 O\n0.000004 0.770596 0.595745 O\n0.500004 0.229404 0.904255 O\n0.999996 0.229404 0.404255 O\n0.499996 0.770596 0.095745 O\n0.897387 0.904011 0.700985 O\n0.397387 0.095989 0.799015 O\n0.102613 0.095989 0.299015 O\n0.602613 0.904011 0.200985 O\n0.131331 0.561590 0.726737 O\n0.631331 0.438410 0.773263 O\n0.868669 0.438410 0.273263 O\n0.368669 0.561590 0.226737 O\n0.778464 0.643946 0.883941 O\n0.278464 0.356054 0.616059 O\n0.221536 0.356054 0.116059 O\n0.721536 0.643946 0.383941 O\n0.783793 0.792475 0.604298 O\n0.283793 0.207525 0.895702 O\n0.216207 0.207525 0.395702 O\n0.716207 0.792475 0.104298 O\n0.906130 0.896917 0.971656 O\n0.406130 0.103083 0.528344 O\n0.093870 0.103083 0.028344 O\n0.593870 0.896917 0.471656 O\n0.169074 0.920431 0.634585 O\n0.669074 0.079569 0.865415 O\n0.830926 0.079569 0.365415 O\n0.330926 0.920431 0.134585 O\n0.797765 0.293134 0.753174 O\n0.297765 0.706866 0.746826 O\n0.202235 0.706866 0.246826 O\n0.702235 0.293134 0.253174 O\n0.988590 0.572994 0.922174 O\n0.488590 0.427006 0.577826 O\n0.011410 0.427006 0.077826 O\n0.511410 0.572994 0.422174 O\n0.912584 0.892261 0.827810 O\n0.412584 0.107739 0.672190 O\n0.087416 0.107739 0.172190 O\n0.587416 0.892261 0.327810 O\n0.773850 0.290252 0.577364 O\n0.273850 0.709748 0.922636 O\n0.226150 0.709748 0.422636 O\n0.726150 0.290252 0.077364 O\n0.265944 0.997459 0.538734 O\n0.765944 0.002541 0.961266 O\n0.734056 0.002541 0.461266 O\n0.234056 0.997459 0.038734 O\n0.036588 0.912407 0.753447 O\n0.536588 0.087593 0.746553 O\n0.963412 0.087593 0.246553 O\n0.463412 0.912407 0.253447 O\n0.873585 0.257614 0.921535 O\n0.373585 0.742386 0.578465 O\n0.126415 0.742386 0.078465 O\n0.626415 0.257614 0.421536 O\n","nsites":144,"nelements":4,"elements":["Rb","U","P","O"],"chemical_system":"O-P-Rb-U","density":4.258198753306205,"density_atomic":0.0627640523357644,"volume":2294.3069263541715,"volume_molar":9.594888373019288,"formula_full":"Rb8 U12 P24 O100","formula_reduced":"Rb2U3P6O25","formula_anonymous":"A2B3C6D25","energy":-1200.99695302,"energy_per_atom":-8.340256618194445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1132.29695302,"band_gap":2.1171,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.452093,"is_theoretical":false,"updated_at":"2021-11-28T01:34:27.595000Z","spacegroup":14},{"id":"mp-1276134","created_at":"2022-09-04T14:39:09.781598Z","structure_string":"V4 Fe2 O8\n1.0\n0.036789 -0.004578 6.063317\n5.279907 0.006559 -2.999701\n-3.528275 4.901642 -0.025070\nV Fe O\n4 2 8\ndirect\n0.997644 0.495560 0.993144 V\n0.999545 0.500798 0.499995 V\n0.001875 0.997099 0.498818 V\n0.498748 0.000226 0.499851 V\n0.378931 0.252321 0.131576 Fe\n0.621305 0.750900 0.871309 Fe\n0.234222 0.493595 0.739959 O\n0.248752 0.512418 0.261074 O\n0.250490 0.978704 0.729895 O\n0.254319 0.993677 0.259637 O\n0.751287 0.022584 0.273509 O\n0.746214 0.006282 0.739944 O\n0.766020 0.505955 0.260209 O\n0.750648 0.489879 0.741081 O\n","nsites":14,"nelements":3,"elements":["V","Fe","O"],"chemical_system":"Fe-O-V","density":4.673806015534114,"density_atomic":0.08885948399348367,"volume":157.55211904028906,"volume_molar":6.77715027069212,"formula_full":"V4 Fe2 O8","formula_reduced":"V2FeO4","formula_anonymous":"AB2C4","energy":-122.97295296,"energy_per_atom":-8.783782354285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-106.16495296,"band_gap":0.7147000000000006,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9992503,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.879000Z","spacegroup":74},{"id":"mp-1219677","created_at":"2022-09-04T14:39:07.671612Z","structure_string":"Si18 C20 N2 O36\n1.0\n6.647233 8.471366 0.000000\n-6.647233 8.471366 0.000000\n0.000000 3.267368 10.220427\nSi C N O\n18 20 2 36\ndirect\n0.739412 0.500360 0.260306 Si\n0.259526 0.739973 0.499992 Si\n0.499663 0.260061 0.739869 Si\n0.500360 0.739412 0.260306 Si\n0.260061 0.499663 0.739869 Si\n0.739973 0.259526 0.499992 Si\n0.930162 0.698032 0.164516 Si\n0.163619 0.931012 0.698141 Si\n0.697964 0.164592 0.930852 Si\n0.698032 0.930162 0.164516 Si\n0.164592 0.697964 0.930852 Si\n0.931012 0.163619 0.698141 Si\n0.069788 0.301295 0.836510 Si\n0.835646 0.068810 0.302178 Si\n0.302259 0.835024 0.069553 Si\n0.301295 0.069788 0.836510 Si\n0.835024 0.302259 0.069553 Si\n0.068810 0.835646 0.302178 Si\n0.761242 0.761242 0.797282 C\n0.240594 0.240594 0.200298 C\n0.847597 0.743065 0.671882 C\n0.743065 0.847597 0.671882 C\n0.686259 0.686259 0.885097 C\n0.149174 0.261883 0.325816 C\n0.261883 0.149174 0.325816 C\n0.317197 0.317197 0.113434 C\n0.853522 0.614467 0.630893 C\n0.614467 0.853522 0.630893 C\n0.634074 0.634074 0.799850 C\n0.178180 0.366895 0.365963 C\n0.366895 0.178180 0.365963 C\n0.365108 0.365108 0.193151 C\n0.712650 0.591145 0.679714 C\n0.627920 0.627920 0.583500 C\n0.591145 0.712650 0.679714 C\n0.275401 0.434398 0.301700 C\n0.322698 0.322698 0.412267 C\n0.434398 0.275401 0.301700 C\n0.943487 0.543915 0.568524 N\n0.543915 0.943487 0.568524 N\n0.039823 0.657419 0.039850 O\n0.038421 0.038421 0.657083 O\n0.657419 0.039823 0.039850 O\n0.959883 0.342671 0.960469 O\n0.960387 0.960387 0.342437 O\n0.342671 0.959883 0.960469 O\n0.738135 0.396120 0.396754 O\n0.396120 0.738135 0.396754 O\n0.398070 0.398070 0.737317 O\n0.262311 0.601651 0.601719 O\n0.601651 0.262311 0.601719 O\n0.601559 0.601559 0.261255 O\n0.998869 0.732787 0.268148 O\n0.265123 0.001603 0.733408 O\n0.731284 0.269060 0.999606 O\n0.732787 0.998869 0.268148 O\n0.269060 0.731284 0.999606 O\n0.001603 0.265123 0.733408 O\n0.859332 0.576147 0.237816 O\n0.238483 0.858284 0.577716 O\n0.577003 0.238581 0.858812 O\n0.576147 0.859332 0.237816 O\n0.238581 0.577003 0.858812 O\n0.858284 0.238483 0.577716 O\n0.140626 0.423298 0.763526 O\n0.762737 0.138823 0.425035 O\n0.423882 0.761793 0.140315 O\n0.423298 0.140626 0.763526 O\n0.761793 0.423882 0.140315 O\n0.138823 0.762737 0.425035 O\n0.824776 0.824776 0.111515 O\n0.111661 0.825228 0.825822 O\n0.825228 0.111661 0.825822 O\n0.175447 0.175447 0.890296 O\n0.887057 0.174663 0.174638 O\n0.174663 0.887057 0.174638 O\n","nsites":76,"nelements":4,"elements":["Si","C","N","O"],"chemical_system":"C-N-O-Si","density":1.9471857230963698,"density_atomic":0.06602679373867418,"volume":1151.0478655195425,"volume_molar":9.120752983758205,"formula_full":"Si18 C20 N2 O36","formula_reduced":"Si9C10NO18","formula_anonymous":"AB9C10D18","energy":-610.2455233799999,"energy_per_atom":-8.029546360263156,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-584.79152338,"band_gap":0.0077,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.063128,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.410000Z","spacegroup":8}]}