{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=10190","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=10188","results":[{"id":"mp-5945","created_at":"2022-09-04T14:45:58.864510Z","structure_string":"Mn14 Si14 O42\n1.0\n6.819431 0.000000 0.000000\n-0.654562 7.681261 0.000000\n-1.811118 -0.770787 16.145472\nMn Si O\n14 14 42\ndirect\n0.620758 0.145814 0.291963 Mn\n0.379242 0.854186 0.708037 Mn\n0.796126 0.309820 0.482290 Mn\n0.203874 0.690180 0.517710 Mn\n0.265469 0.239651 0.007819 Mn\n0.734531 0.760349 0.992181 Mn\n0.159397 0.611744 0.307494 Mn\n0.840603 0.388256 0.692506 Mn\n0.067019 0.530810 0.107586 Mn\n0.932981 0.469190 0.892414 Mn\n0.173349 0.146683 0.812432 Mn\n0.826651 0.853317 0.187568 Mn\n0.043855 0.067585 0.604736 Mn\n0.956145 0.932415 0.395264 Mn\n0.493287 0.818585 0.410310 Si\n0.506713 0.181415 0.589690 Si\n0.677429 0.543753 0.309700 Si\n0.322571 0.456247 0.690300 Si\n0.578077 0.457955 0.119013 Si\n0.421923 0.542045 0.880987 Si\n0.781952 0.162695 0.029425 Si\n0.218048 0.837305 0.970575 Si\n0.315616 0.915529 0.163805 Si\n0.684384 0.084471 0.836195 Si\n0.118695 0.203830 0.253958 Si\n0.881305 0.796170 0.746042 Si\n0.237818 0.286819 0.436125 Si\n0.762182 0.713181 0.563875 Si\n0.554963 0.736318 0.502608 O\n0.445037 0.263682 0.497392 O\n0.494939 0.651675 0.340781 O\n0.505061 0.348325 0.659219 O\n0.588051 0.439291 0.220670 O\n0.411949 0.560709 0.779330 O\n0.618233 0.263346 0.078466 O\n0.381767 0.736654 0.921534 O\n0.332018 0.901418 0.063450 O\n0.667982 0.098582 0.936550 O\n0.235590 0.110264 0.183047 O\n0.764410 0.889736 0.816953 O\n0.278927 0.217056 0.341396 O\n0.721073 0.782944 0.658604 O\n0.719997 0.378737 0.365229 O\n0.280003 0.621263 0.634771 O\n0.354324 0.478693 0.079314 O\n0.645676 0.521307 0.920686 O\n0.827311 0.981561 0.072364 O\n0.172689 0.018439 0.927636 O\n0.536793 0.924426 0.212499 O\n0.463207 0.075574 0.787501 O\n0.071665 0.395338 0.225125 O\n0.928335 0.604662 0.774875 O\n0.178198 0.484473 0.429998 O\n0.821802 0.515527 0.570002 O\n0.256416 0.841522 0.406104 O\n0.743584 0.158478 0.593896 O\n0.944327 0.830446 0.527755 O\n0.055673 0.169554 0.472245 O\n0.927132 0.076141 0.275135 O\n0.072868 0.923859 0.724865 O\n0.847638 0.235063 0.810031 O\n0.152362 0.764937 0.189969 O\n0.969806 0.304927 0.021370 O\n0.030194 0.695073 0.978630 O\n0.749878 0.612385 0.105257 O\n0.250122 0.387615 0.894743 O\n0.862295 0.692292 0.307308 O\n0.137705 0.307708 0.692692 O\n0.647196 0.982848 0.396701 O\n0.352804 0.017152 0.603299 O\n","nsites":70,"nelements":3,"elements":["Mn","Si","O"],"chemical_system":"Mn-O-Si","density":3.601547151537259,"density_atomic":0.08276879501120095,"volume":845.7293596037858,"volume_molar":7.275858926283795,"formula_full":"Mn14 Si14 O42","formula_reduced":"MnSiO3","formula_anonymous":"ABC3","energy":-607.27202801,"energy_per_atom":-8.675314685857142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-555.06602801,"band_gap":2.3995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":70.0017624,"is_theoretical":false,"updated_at":"2021-11-28T01:37:17.770000Z","spacegroup":2},{"id":"mp-22556","created_at":"2022-09-04T14:45:59.068156Z","structure_string":"Tm3 Tl1 C1\n1.0\n5.532385 0.000000 0.000000\n0.000000 5.532385 0.000000\n0.000000 0.000000 5.532385\nTm Tl C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 C\n","nsites":5,"nelements":3,"elements":["Tm","Tl","C"],"chemical_system":"C-Tl-Tm","density":7.091993122080632,"density_atomic":0.029527917507636024,"volume":169.33127772071913,"volume_molar":20.39473579009645,"formula_full":"Tm3 Tl1 C1","formula_reduced":"Tm3TlC","formula_anonymous":"ABC3","energy":-16.8331227,"energy_per_atom":-3.36662454,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.8331227,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005352,"is_theoretical":false,"updated_at":"2021-11-28T01:37:13.834000Z","spacegroup":221},{"id":"mp-546798","created_at":"2022-09-04T14:46:05.180717Z","structure_string":"Mn2 Cl2 O6\n1.0\n3.717299 -5.249080 0.000000\n3.717299 5.249080 0.000000\n0.000000 0.000000 5.244794\nMn Cl O\n2 2 6\ndirect\n0.825889 0.174111 0.592177 Mn\n0.174111 0.825889 0.092177 Mn\n0.635685 0.364315 0.713706 Cl\n0.364315 0.635685 0.213706 Cl\n0.068605 0.281774 0.699241 O\n0.718226 0.931395 0.699241 O\n0.931395 0.718226 0.199241 O\n0.827417 0.172583 0.289709 O\n0.281774 0.068605 0.199241 O\n0.172583 0.827417 0.789709 O\n","nsites":10,"nelements":3,"elements":["Mn","Cl","O"],"chemical_system":"Cl-Mn-O","density":2.245496154862825,"density_atomic":0.04885745971551418,"volume":204.6770351595788,"volume_molar":12.325939160704525,"formula_full":"Mn2 Cl2 O6","formula_reduced":"MnClO3","formula_anonymous":"ABC3","energy":-60.11179252,"energy_per_atom":-6.011179252,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.42579252,"band_gap":2.0431,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:19.903000Z","spacegroup":36},{"id":"mp-769734","created_at":"2022-09-04T14:45:58.984405Z","structure_string":"Sc4 Fe4 O12\n1.0\n5.102012 0.000000 0.000000\n0.000000 5.420550 0.000000\n0.000000 0.000000 7.673745\nSc Fe O\n4 4 12\ndirect\n0.525277 0.429958 0.250000 Sc\n0.974723 0.929958 0.250000 Sc\n0.025277 0.070042 0.750000 Sc\n0.474723 0.570042 0.750000 Sc\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.646215 0.936191 0.750000 O\n0.684830 0.687521 0.075039 O\n0.684830 0.687521 0.424961 O\n0.815170 0.187521 0.075039 O\n0.815170 0.187521 0.424961 O\n0.853785 0.436191 0.750000 O\n0.146215 0.563809 0.250000 O\n0.184830 0.812479 0.575039 O\n0.184830 0.812479 0.924961 O\n0.315170 0.312479 0.575039 O\n0.315170 0.312479 0.924961 O\n0.353785 0.063809 0.250000 O\n","nsites":20,"nelements":3,"elements":["Sc","Fe","O"],"chemical_system":"Fe-O-Sc","density":4.657117917131759,"density_atomic":0.09424054776139226,"volume":212.22287513266605,"volume_molar":6.390180132704093,"formula_full":"Sc4 Fe4 O12","formula_reduced":"ScFeO3","formula_anonymous":"ABC3","energy":-173.66480965,"energy_per_atom":-8.6832404825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-156.39680965,"band_gap":1.3651,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":19.9990706,"is_theoretical":true,"updated_at":"2021-11-28T01:37:13.691000Z","spacegroup":62},{"id":"mp-29188","created_at":"2022-09-04T14:45:58.587534Z","structure_string":"V2 Hg2 O6\n1.0\n3.650004 0.000000 0.000000\n-0.248815 5.066093 0.000000\n-1.764082 -0.508588 8.600587\nV Hg O\n2 2 6\ndirect\n0.674735 0.388526 0.863180 V\n0.325265 0.611474 0.136820 V\n0.147285 0.178394 0.424556 Hg\n0.852715 0.821606 0.575444 Hg\n0.596533 0.499200 0.673671 O\n0.403467 0.500800 0.326329 O\n0.641920 0.065095 0.839184 O\n0.358080 0.934905 0.160816 O\n0.204898 0.479305 0.911200 O\n0.795102 0.520695 0.088800 O\n","nsites":10,"nelements":3,"elements":["V","Hg","O"],"chemical_system":"Hg-O-V","density":6.254957927794259,"density_atomic":0.06287896843296724,"volume":159.0356879130516,"volume_molar":9.577352984758273,"formula_full":"V2 Hg2 O6","formula_reduced":"VHgO3","formula_anonymous":"ABC3","energy":-66.35623628,"energy_per_atom":-6.635623628,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-58.83423628,"band_gap":2.1756,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012584,"is_theoretical":false,"updated_at":"2021-11-28T01:37:09.658000Z","spacegroup":2},{"id":"mp-755103","created_at":"2022-09-04T14:45:56.882530Z","structure_string":"Li4 Fe4 F12\n1.0\n4.168602 5.041966 0.000000\n-4.168602 5.041966 0.000000\n0.000000 0.340337 5.862018\nLi Fe F\n4 4 12\ndirect\n0.654947 0.654947 0.870130 Li\n0.680254 0.319746 0.500000 Li\n0.319746 0.680254 0.500000 Li\n0.345053 0.345053 0.129870 Li\n0.753654 0.753654 0.282635 Fe\n0.842766 0.157234 0.000000 Fe\n0.157234 0.842766 0.000000 Fe\n0.246346 0.246346 0.717365 Fe\n0.845428 0.845428 0.917015 F\n0.624209 0.624209 0.564950 F\n0.930238 0.271881 0.682508 F\n0.271881 0.930238 0.682508 F\n0.461101 0.774991 0.126288 F\n0.774991 0.461101 0.126288 F\n0.538899 0.225009 0.873712 F\n0.225009 0.538899 0.873712 F\n0.069762 0.728119 0.317492 F\n0.728119 0.069762 0.317492 F\n0.375791 0.375791 0.435050 F\n0.154572 0.154572 0.082985 F\n","nsites":20,"nelements":3,"elements":["Li","Fe","F"],"chemical_system":"F-Fe-Li","density":3.2287193363869457,"density_atomic":0.08116382523563753,"volume":246.41519718834505,"volume_molar":7.419735014356851,"formula_full":"Li4 Fe4 F12","formula_reduced":"LiFeF3","formula_anonymous":"ABC3","energy":-118.93587877,"energy_per_atom":-5.9467939385,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-104.36787877,"band_gap":3.0058,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":15.99956,"is_theoretical":true,"updated_at":"2021-11-28T01:37:09.935000Z","spacegroup":12},{"id":"mp-1205795","created_at":"2022-09-04T14:46:01.904202Z","structure_string":"La2 Ni6 B2\n1.0\n-2.476480 3.561252 4.137374\n2.476480 -3.561252 4.137374\n2.476480 3.561252 -4.137374\nLa Ni B\n2 6 2\ndirect\n0.819939 0.569939 0.250000 La\n0.180061 0.430061 0.750000 La\n0.322060 0.500000 0.322060 Ni\n0.677940 0.500000 0.677940 Ni\n0.677940 0.000000 0.177940 Ni\n0.322060 0.000000 0.822060 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.381441 0.131441 0.250000 B\n0.618559 0.868559 0.750000 B\n","nsites":10,"nelements":3,"elements":["La","Ni","B"],"chemical_system":"B-La-Ni","density":7.4131609739822615,"density_atomic":0.06851374336835239,"volume":145.95611782933412,"volume_molar":8.789682863513956,"formula_full":"La2 Ni6 B2","formula_reduced":"LaNi3B","formula_anonymous":"ABC3","energy":-62.32825501,"energy_per_atom":-6.232825501,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.32825501,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027918,"is_theoretical":true,"updated_at":"2021-11-28T01:37:16Z","spacegroup":74},{"id":"mp-1076317","created_at":"2022-09-04T14:46:02.013047Z","structure_string":"Mg1 Cu1 O3\n1.0\n3.731181 0.000000 0.000000\n0.000000 3.731181 0.000000\n0.000000 0.000000 3.731181\nMg Cu O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cu\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":["Mg","Cu","O"],"chemical_system":"Cu-Mg-O","density":4.342774019810358,"density_atomic":0.09625671864540554,"volume":51.9444260137228,"volume_molar":6.256332903040888,"formula_full":"Mg1 Cu1 O3","formula_reduced":"MgCuO3","formula_anonymous":"ABC3","energy":-26.3505035,"energy_per_atom":-5.2701006999999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.2895035,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0452822,"is_theoretical":true,"updated_at":"2021-11-28T01:37:16.902000Z","spacegroup":221},{"id":"mp-21135","created_at":"2022-09-04T14:46:10.041142Z","structure_string":"Pr3 In1 O1\n1.0\n5.033320 0.000000 0.000000\n0.000000 5.033320 0.000000\n0.000000 0.000000 5.033320\nPr In O\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Pr","In","O"],"chemical_system":"In-O-Pr","density":7.208331568810903,"density_atomic":0.039210860931034486,"volume":127.51569032861036,"volume_molar":15.358348725349247,"formula_full":"Pr3 In1 O1","formula_reduced":"Pr3InO","formula_anonymous":"ABC3","energy":-29.648100140000004,"energy_per_atom":-5.929620028,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.96110014,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0162538,"is_theoretical":false,"updated_at":"2021-11-28T01:37:19.987000Z","spacegroup":221},{"id":"mp-779706","created_at":"2022-09-04T14:46:01.351816Z","structure_string":"Ag4 Ge4 O12\n1.0\n-10.407858 0.008635 0.000791\n0.007411 -8.850072 0.000953\n-0.000237 -0.000447 3.172893\nAg Ge O\n4 4 12\ndirect\n0.995836 0.999372 0.026951 Ag\n0.995405 0.501708 0.025651 Ag\n0.495326 0.998334 0.047532 Ag\n0.495898 0.500562 0.030859 Ag\n0.208288 0.753457 0.534601 Ge\n0.284772 0.251396 0.541391 Ge\n0.708203 0.747423 0.532038 Ge\n0.784759 0.247755 0.525614 Ge\n0.107071 0.591604 0.527576 O\n0.115634 0.921733 0.528973 O\n0.195212 0.250439 0.041320 O\n0.298140 0.750351 0.034297 O\n0.377204 0.421035 0.533232 O\n0.383197 0.087665 0.547911 O\n0.606970 0.908577 0.544938 O\n0.615488 0.578093 0.529490 O\n0.695284 0.249402 0.025650 O\n0.798155 0.749914 0.032136 O\n0.876989 0.079040 0.525603 O\n0.883205 0.412143 0.524742 O\n","nsites":20,"nelements":3,"elements":["Ag","Ge","O"],"chemical_system":"Ag-Ge-O","density":5.193309183747747,"density_atomic":0.06843317938914963,"volume":292.255893683804,"volume_molar":8.800030648517312,"formula_full":"Ag4 Ge4 O12","formula_reduced":"AgGeO3","formula_anonymous":"ABC3","energy":-115.86851057,"energy_per_atom":-5.7934255285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-107.62451057,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001014,"is_theoretical":true,"updated_at":"2021-11-28T01:37:16.024000Z","spacegroup":18},{"id":"mp-1181286","created_at":"2022-09-04T14:45:58.197484Z","structure_string":"Mn2 Co2 O6\n1.0\n2.953514 5.049743 13.547206\n-1.372765 2.258045 6.779485\n-3.274779 -4.691016 -4.688118\nMn Co O\n2 2 6\ndirect\n0.667965 0.812545 0.969938 Mn\n0.332035 0.187455 0.030062 Mn\n0.287853 0.765643 0.998688 Co\n0.712147 0.234357 0.001312 Co\n0.757490 0.960049 0.683171 O\n0.388113 0.386878 0.703019 O\n0.089554 0.624414 0.669743 O\n0.242510 0.039951 0.316829 O\n0.611887 0.613122 0.296981 O\n0.910446 0.375586 0.330257 O\n","nsites":10,"nelements":3,"elements":["Mn","Co","O"],"chemical_system":"Co-Mn-O","density":5.097009760489947,"density_atomic":0.09481379018600379,"volume":105.46988977428495,"volume_molar":6.351545221624286,"formula_full":"Mn2 Co2 O6","formula_reduced":"MnCoO3","formula_anonymous":"ABC3","energy":-77.87840512,"energy_per_atom":-7.787840512,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-67.14440512,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.999922,"is_theoretical":true,"updated_at":"2021-11-28T01:37:14.589000Z","spacegroup":12},{"id":"mp-556982","created_at":"2022-09-04T14:46:02.325509Z","structure_string":"Cu6 Si6 O18\n1.0\n8.202621 -0.013052 -3.271743\n-4.795817 6.665904 -3.260424\n-0.017089 -0.018504 8.831522\nCu Si O\n6 6 18\ndirect\n0.954940 0.341521 0.534632 Cu\n0.466485 0.047065 0.659204 Cu\n0.044957 0.658477 0.465401 Cu\n0.533495 0.952802 0.340737 Cu\n0.339472 0.532760 0.950130 Cu\n0.660573 0.467311 0.049856 Cu\n0.785230 0.919333 0.177114 Si\n0.822708 0.213476 0.080383 Si\n0.919441 0.176593 0.786253 Si\n0.177274 0.786557 0.919644 Si\n0.214814 0.080689 0.822883 Si\n0.080584 0.823416 0.213789 Si\n0.937046 0.374038 0.322448 O\n0.950952 0.633652 0.214568 O\n0.733192 0.986508 0.025000 O\n0.049071 0.366413 0.785523 O\n0.366242 0.784076 0.050676 O\n0.266759 0.013516 0.975020 O\n0.987899 0.025813 0.734152 O\n0.784119 0.051217 0.366477 O\n0.677125 0.061028 0.625386 O\n0.374884 0.322252 0.936221 O\n0.322905 0.938924 0.374601 O\n0.025589 0.735398 0.986895 O\n0.012149 0.974220 0.265818 O\n0.215979 0.948761 0.633595 O\n0.625107 0.677750 0.063668 O\n0.633782 0.215948 0.949234 O\n0.062794 0.625929 0.677554 O\n0.974431 0.264559 0.013136 O\n","nsites":30,"nelements":3,"elements":["Cu","Si","O"],"chemical_system":"Cu-O-Si","density":2.891164803499157,"density_atomic":0.06234705586650451,"volume":481.17749239410796,"volume_molar":9.659061965803824,"formula_full":"Cu6 Si6 O18","formula_reduced":"CuSiO3","formula_anonymous":"ABC3","energy":-214.38961403,"energy_per_atom":-7.1463204676666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-202.02361403,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9998599,"is_theoretical":false,"updated_at":"2021-11-28T01:37:15.669000Z","spacegroup":148}]}