{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=updated_at&page=10261","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=updated_at&page=10259","results":[{"id":"mp-1030636","created_at":"2022-09-04T14:47:00.643530Z","structure_string":"Mg3 Ti1 O4\n1.0\n4.313659 0.000000 0.000000\n0.000000 4.313659 0.000000\n0.000000 0.000000 4.313659\nMg Ti O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n","nsites":8,"nelements":3,"elements":["Mg","Ti","O"],"chemical_system":"Mg-O-Ti","density":3.8226601417625075,"density_atomic":0.0996672682884509,"volume":80.26707400916106,"volume_molar":6.042245225956319,"formula_full":"Mg3 Ti1 O4","formula_reduced":"Mg3TiO4","formula_anonymous":"AB3C4","energy":-55.0153758,"energy_per_atom":-6.876921975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.2673758,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.9721036,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.825000Z","spacegroup":221},{"id":"mp-1246273","created_at":"2022-09-04T14:47:12.903308Z","structure_string":"Mn2 Zn10 N8\n1.0\n9.205291 0.000000 0.000000\n0.000000 5.975492 0.000000\n0.000000 0.000000 4.795179\nMn Zn N\n2 10 8\ndirect\n0.750000 0.250000 0.782656 Mn\n0.250000 0.750000 0.217344 Mn\n0.602470 0.521150 0.316008 Zn\n0.897530 0.521150 0.316008 Zn\n0.602470 0.978850 0.316008 Zn\n0.897530 0.978850 0.316008 Zn\n0.397530 0.478850 0.683992 Zn\n0.102470 0.478850 0.683992 Zn\n0.397530 0.021150 0.683992 Zn\n0.102470 0.021150 0.683992 Zn\n0.750000 0.750000 0.750294 Zn\n0.250000 0.250000 0.249706 Zn\n0.750000 0.006301 0.016502 N\n0.750000 0.493699 0.016502 N\n0.250000 0.993699 0.983498 N\n0.250000 0.506301 0.983498 N\n0.436848 0.750000 0.413843 N\n0.063152 0.750000 0.413843 N\n0.563152 0.250000 0.586157 N\n0.936848 0.250000 0.586157 N\n","nsites":20,"nelements":3,"elements":["Mn","Zn","N"],"chemical_system":"Mn-N-Zn","density":5.515018202623947,"density_atomic":0.07582527265258396,"volume":263.7643004811331,"volume_molar":7.942128724801597,"formula_full":"Mn2 Zn10 N8","formula_reduced":"MnZn5N4","formula_anonymous":"AB4C5","energy":-97.08443945,"energy_per_atom":-4.8542219725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-94.19643945,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9979246,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.825000Z","spacegroup":59},{"id":"mp-11752","created_at":"2022-09-04T14:46:59.168427Z","structure_string":"Lu7 Ni2 Te2\n1.0\n-1.896313 4.706623 7.608793\n1.896313 -4.706623 7.608793\n1.896313 4.706623 -7.608793\nLu Ni Te\n7 2 2\ndirect\n0.308366 0.685453 0.622913 Lu\n0.937461 0.314547 0.622913 Lu\n0.999360 0.000000 0.999360 Lu\n0.553026 0.135108 0.417918 Lu\n0.282810 0.864892 0.417918 Lu\n0.626170 0.353533 0.272637 Lu\n0.919103 0.646467 0.272637 Lu\n0.165703 0.236375 0.929328 Ni\n0.692953 0.763625 0.929328 Ni\n0.660667 0.000000 0.660667 Te\n0.266180 0.500000 0.766180 Te\n","nsites":11,"nelements":3,"elements":["Lu","Ni","Te"],"chemical_system":"Lu-Ni-Te","density":9.764624901605462,"density_atomic":0.04049463507818966,"volume":271.6409217853301,"volume_molar":14.871453337885528,"formula_full":"Lu7 Ni2 Te2","formula_reduced":"Lu7(NiTe)2","formula_anonymous":"A2B2C7","energy":-57.67749429999999,"energy_per_atom":-5.243408572727272,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-56.8334943,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1256229,"is_theoretical":false,"updated_at":"2021-11-28T01:37:50.827000Z","spacegroup":44},{"id":"mp-1211116","created_at":"2022-09-04T14:47:00.582120Z","structure_string":"Ni1 H36 C60 N12\n1.0\n10.017083 0.000000 0.000000\n1.860529 10.217726 0.000000\n1.795892 1.964738 10.350878\nNi H C N\n1 36 60 12\ndirect\n0.500000 0.000000 0.000000 Ni\n0.683097 0.146595 0.024114 H\n0.316903 0.853405 0.975886 H\n0.972646 0.051055 0.076610 H\n0.027354 0.948945 0.923390 H\n0.228675 0.998597 0.007096 H\n0.771325 0.001403 0.992904 H\n0.689621 0.015506 0.139656 H\n0.310379 0.984494 0.860344 H\n0.620935 0.746254 0.082020 H\n0.379065 0.253746 0.917980 H\n0.043977 0.076125 0.193972 H\n0.956023 0.923875 0.806028 H\n0.715961 0.343971 0.110117 H\n0.284039 0.656029 0.889883 H\n0.465237 0.254449 0.037194 H\n0.534763 0.745551 0.962806 H\n0.557295 0.152117 0.761513 H\n0.442705 0.847883 0.238487 H\n0.028032 0.192379 0.064884 H\n0.971968 0.807621 0.935116 H\n0.622142 0.438126 0.006810 H\n0.377858 0.561874 0.993190 H\n0.519244 0.009235 0.742504 H\n0.480756 0.990765 0.257496 H\n0.586395 0.191449 0.310180 H\n0.413605 0.808551 0.689820 H\n0.695076 0.064429 0.368653 H\n0.304924 0.935571 0.631347 H\n0.313254 0.205437 0.067291 H\n0.686746 0.794563 0.932709 H\n0.538673 0.089075 0.439977 H\n0.461327 0.910925 0.560023 H\n0.672804 0.019732 0.774151 H\n0.327196 0.980268 0.225849 H\n0.563115 0.412867 0.161308 H\n0.436885 0.587133 0.838692 H\n0.151725 0.264464 0.298667 C\n0.848275 0.735536 0.701333 C\n0.860135 0.324841 0.314236 C\n0.139865 0.675159 0.685764 C\n0.065809 0.186409 0.398418 C\n0.934191 0.813591 0.601582 C\n0.093532 0.455720 0.815127 C\n0.906468 0.544280 0.184873 C\n0.294303 0.269518 0.582846 C\n0.705697 0.730482 0.417154 C\n0.047726 0.153651 0.636466 C\n0.952274 0.846349 0.363534 C\n0.150403 0.740018 0.253296 C\n0.849597 0.259982 0.746704 C\n0.213327 0.392262 0.749160 C\n0.786673 0.607738 0.250840 C\n0.267736 0.281529 0.354415 C\n0.732264 0.718471 0.645585 C\n0.056595 0.599407 0.782755 C\n0.943405 0.400593 0.217245 C\n0.210048 0.268208 0.707704 C\n0.789952 0.731792 0.292296 C\n0.031089 0.602714 0.157810 C\n0.968911 0.397286 0.842190 C\n0.077525 0.783796 0.594117 C\n0.922475 0.216204 0.405883 C\n0.320947 0.402929 0.319534 C\n0.679053 0.597071 0.680466 C\n0.254117 0.213802 0.488329 C\n0.745883 0.786198 0.511671 C\n0.348227 0.394644 0.546769 C\n0.651773 0.605356 0.453231 C\n0.145270 0.495010 0.173858 C\n0.854730 0.504990 0.826142 C\n0.258482 0.511387 0.227526 C\n0.741518 0.488613 0.772474 C\n0.261906 0.635917 0.267898 C\n0.738094 0.364083 0.732102 C\n0.325159 0.604318 0.384757 C\n0.674841 0.395682 0.615243 C\n0.298251 0.470205 0.649378 C\n0.701749 0.529795 0.350622 C\n0.034272 0.723061 0.198017 C\n0.965728 0.276939 0.801983 C\n0.262369 0.610015 0.618007 C\n0.737631 0.389985 0.381993 C\n0.361340 0.460407 0.416897 C\n0.638660 0.539593 0.583103 C\n0.099921 0.815809 0.355872 C\n0.900079 0.184191 0.644128 C\n0.129671 0.154518 0.515386 C\n0.870329 0.845482 0.484614 C\n0.088504 0.211860 0.733467 C\n0.911496 0.788140 0.266533 C\n0.090950 0.369985 0.209497 C\n0.909050 0.630015 0.790503 C\n0.275874 0.677591 0.484527 C\n0.724126 0.322409 0.515473 C\n0.161809 0.784813 0.469489 C\n0.838191 0.215187 0.530511 C\n0.683347 0.045700 0.042998 N\n0.316653 0.954300 0.957002 N\n0.051140 0.091741 0.095420 N\n0.948860 0.908259 0.904580 N\n0.403502 0.201691 0.005857 N\n0.596498 0.798309 0.994143 N\n0.570404 0.051632 0.796165 N\n0.429596 0.948368 0.203835 N\n0.595649 0.092306 0.350741 N\n0.404351 0.907694 0.649259 N\n0.617448 0.366464 0.088831 N\n0.382552 0.633536 0.911169 N\n","nsites":109,"nelements":4,"elements":["Ni","H","C","N"],"chemical_system":"C-H-N-Ni","density":1.5418416685579435,"density_atomic":0.10288540782933718,"volume":1059.431092315885,"volume_molar":5.853250608666802,"formula_full":"Ni1 H36 C60 N12","formula_reduced":"NiH36(C5N)12","formula_anonymous":"AB12C36D60","energy":-778.99934741,"energy_per_atom":-7.146783003761469,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-774.66734741,"band_gap":0.0110999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0000002,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.828000Z","spacegroup":2},{"id":"mp-755759","created_at":"2022-09-04T14:46:56.398160Z","structure_string":"Zr4 O8\n1.0\n3.481822 0.000000 0.000000\n0.000000 3.880985 0.000000\n0.000000 0.000000 10.413835\nZr O\n4 8\ndirect\n0.750000 0.748067 0.881390 Zr\n0.750000 0.751933 0.381390 Zr\n0.250000 0.251933 0.118610 Zr\n0.250000 0.248067 0.618610 Zr\n0.750000 0.431177 0.213945 O\n0.750000 0.068823 0.713945 O\n0.750000 0.263396 0.474832 O\n0.750000 0.236604 0.974832 O\n0.250000 0.736604 0.525168 O\n0.250000 0.763396 0.025168 O\n0.250000 0.568823 0.786055 O\n0.250000 0.931177 0.286055 O\n","nsites":12,"nelements":2,"elements":["Zr","O"],"chemical_system":"O-Zr","density":5.816221538102327,"density_atomic":0.0852750582016482,"volume":140.72110008560585,"volume_molar":7.062018938479721,"formula_full":"Zr4 O8","formula_reduced":"ZrO2","formula_anonymous":"AB2","energy":-119.12063572,"energy_per_atom":-9.926719643333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.62463572,"band_gap":2.9946,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002527,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.829000Z","spacegroup":62},{"id":"mp-1209731","created_at":"2022-09-04T14:47:12.567658Z","structure_string":"Tl3 Bi1 S6\n1.0\n6.326485 -8.134119 0.000000\n6.326485 8.134119 0.000000\n0.000000 0.000000 54.453852\nTl Bi S\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Tl\n0.500000 0.000000 0.000000 Tl\n0.000000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 Bi\n0.000000 0.000000 0.250225 S\n0.000000 0.000000 0.749775 S\n0.256936 0.011334 0.000000 S\n0.743064 0.988666 0.000000 S\n0.011334 0.256936 0.000000 S\n0.988666 0.743064 0.000000 S\n","nsites":10,"nelements":3,"elements":["Tl","Bi","S"],"chemical_system":"Bi-S-Tl","density":0.3005925635257331,"density_atomic":0.0017843021274062006,"volume":5604.432033344472,"volume_molar":337.5067858465342,"formula_full":"Tl3 Bi1 S6","formula_reduced":"Tl3BiS6","formula_anonymous":"AB3C6","energy":-28.0022868,"energy_per_atom":-2.80022868,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.9842868,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.6298503,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.829000Z","spacegroup":65},{"id":"mp-1217802","created_at":"2022-09-04T14:46:57.059298Z","structure_string":"Tb4 Fe1 Ge8\n1.0\n0.000000 0.000000 3.996539\n4.156720 0.000000 0.000000\n0.000000 16.008439 0.000000\nTb Fe Ge\n4 1 8\ndirect\n0.250000 0.000000 0.398089 Tb\n0.250000 0.500000 0.894855 Tb\n0.750000 0.500000 0.102811 Tb\n0.750000 0.000000 0.604283 Tb\n0.250000 0.000000 0.190277 Fe\n0.250000 0.500000 0.259119 Ge\n0.250000 0.000000 0.751570 Ge\n0.750000 0.000000 0.260373 Ge\n0.750000 0.500000 0.748440 Ge\n0.250000 0.000000 0.045651 Ge\n0.250000 0.500000 0.551911 Ge\n0.750000 0.500000 0.445979 Ge\n0.750000 0.000000 0.943843 Ge\n","nsites":13,"nelements":3,"elements":["Tb","Fe","Ge"],"chemical_system":"Fe-Ge-Tb","density":7.9465727544573665,"density_atomic":0.048883190138829205,"volume":265.94009030670355,"volume_molar":12.319451211954465,"formula_full":"Tb4 Fe1 Ge8","formula_reduced":"Tb4FeGe8","formula_anonymous":"AB4C8","energy":-71.68802117,"energy_per_atom":-5.514463166923077,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.68802117,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.1376278,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.831000Z","spacegroup":25},{"id":"mp-850855","created_at":"2022-09-04T14:46:57.709978Z","structure_string":"Mn4 O2 F6\n1.0\n4.862584 -0.087297 0.000000\n-0.087297 4.862585 0.000000\n0.000000 0.000000 6.336403\nMn O F\n4 2 6\ndirect\n0.964425 0.964426 0.000000 Mn\n0.035577 0.035577 0.500000 Mn\n0.500000 0.500001 0.250001 Mn\n0.500002 0.500001 0.749998 Mn\n0.334711 0.334711 0.500000 O\n0.665288 0.665288 0.000000 O\n0.203750 0.796249 0.250000 F\n0.203750 0.796249 0.750000 F\n0.281940 0.281940 0.000000 F\n0.718059 0.718059 0.500000 F\n0.796249 0.203750 0.250000 F\n0.796249 0.203750 0.750000 F\n","nsites":12,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":4.054955595464353,"density_atomic":0.08012058826248887,"volume":149.77423731196194,"volume_molar":7.516346160952323,"formula_full":"Mn4 O2 F6","formula_reduced":"Mn2OF3","formula_anonymous":"AB2C3","energy":-89.67733301999999,"energy_per_atom":-7.473111084999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.85933302,"band_gap":0.3460000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":17.999819,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.831000Z","spacegroup":63},{"id":"mp-754928","created_at":"2022-09-04T14:47:01.632808Z","structure_string":"Eu2 Co1 O4\n1.0\n-1.895549 1.895549 6.047052\n1.895549 -1.895549 6.047052\n1.895549 1.895549 -6.047052\nEu Co O\n2 1 4\ndirect\n0.359196 0.359196 0.000000 Eu\n0.640804 0.640804 0.000000 Eu\n0.000000 0.000000 0.000000 Co\n0.164260 0.164260 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.835740 0.835740 0.000000 O\n","nsites":7,"nelements":3,"elements":["Eu","Co","O"],"chemical_system":"Co-Eu-O","density":8.155669274133961,"density_atomic":0.0805423532727498,"volume":86.91079556981775,"volume_molar":7.476986349786099,"formula_full":"Eu2 Co1 O4","formula_reduced":"Eu2CoO4","formula_anonymous":"AB2C4","energy":-65.53865114999999,"energy_per_atom":-9.362664449999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.15265115,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.0458085,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.835000Z","spacegroup":139},{"id":"mp-850068","created_at":"2022-09-04T14:46:59.253911Z","structure_string":"Ni4 S8\n1.0\n4.489291 0.000000 0.000000\n0.000000 6.179521 0.000000\n0.000000 0.000000 6.556756\nNi S\n4 8\ndirect\n0.000000 0.750000 0.359577 Ni\n0.000000 0.250000 0.640423 Ni\n0.500000 0.250000 0.140423 Ni\n0.500000 0.750000 0.859577 Ni\n0.308742 0.454799 0.412210 S\n0.691258 0.045201 0.412210 S\n0.808742 0.545201 0.087790 S\n0.808742 0.045201 0.912210 S\n0.691258 0.545201 0.587790 S\n0.308742 0.954799 0.587790 S\n0.191258 0.454799 0.912210 S\n0.191258 0.954799 0.087790 S\n","nsites":12,"nelements":2,"elements":["Ni","S"],"chemical_system":"Ni-S","density":4.485063659786453,"density_atomic":0.0659720004969625,"volume":181.895348172025,"volume_molar":9.12832825234286,"formula_full":"Ni4 S8","formula_reduced":"NiS2","formula_anonymous":"AB2","energy":-62.15539795000001,"energy_per_atom":-5.179616495833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-58.13139795,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024028,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.836000Z","spacegroup":60},{"id":"mp-1211574","created_at":"2022-09-04T14:47:04.919049Z","structure_string":"La2 Ni1 P2 O1\n1.0\n3.369888 0.000000 0.000000\n0.000000 3.369888 0.000000\n0.000000 0.000000 14.321237\nLa Ni P O\n2 1 2 1\ndirect\n0.500000 0.500000 0.148011 La\n0.500000 0.500000 0.851989 La\n0.500000 0.500000 0.500000 Ni\n0.500000 0.500000 0.646506 P\n0.500000 0.500000 0.353494 P\n0.500000 0.500000 0.000000 O\n","nsites":6,"nelements":4,"elements":["La","Ni","P","O"],"chemical_system":"La-Ni-O-P","density":4.231663250328074,"density_atomic":0.036892644271729946,"volume":162.63404584955904,"volume_molar":16.323418607905637,"formula_full":"La2 Ni1 P2 O1","formula_reduced":"La2NiP2O","formula_anonymous":"ABC2D2","energy":-31.47524441,"energy_per_atom":-5.245874068333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.24724441,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0247503,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.836000Z","spacegroup":123},{"id":"mp-756756","created_at":"2022-09-04T14:46:54.724741Z","structure_string":"Li4 Fe5 Co1 O12\n1.0\n2.450153 4.266830 0.046477\n-2.470021 4.265716 0.024438\n0.041535 0.077686 10.169115\nLi Fe Co O\n4 5 1 12\ndirect\n0.150878 0.495884 0.749928 Li\n0.344490 0.506193 0.248794 Li\n0.648323 0.500668 0.750280 Li\n0.848768 0.498813 0.247207 Li\n0.167083 0.667533 0.499489 Fe\n0.662719 0.676829 0.998784 Fe\n0.336103 0.328702 0.999382 Fe\n0.837263 0.327211 0.499443 Fe\n0.502420 0.999533 0.498772 Fe\n0.999109 0.003056 0.999058 Co\n0.001910 0.664193 0.099720 O\n0.335814 0.662998 0.898682 O\n0.154724 0.354664 0.392165 O\n0.511659 0.640552 0.392954 O\n0.492475 0.353396 0.606817 O\n0.169090 0.997386 0.596116 O\n0.847732 0.641456 0.605926 O\n0.662154 0.342643 0.100366 O\n0.329084 0.002395 0.095095 O\n0.996224 0.341165 0.898058 O\n0.669783 0.003960 0.902566 O\n0.837902 0.997545 0.401753 O\n","nsites":22,"nelements":4,"elements":["Li","Fe","Co","O"],"chemical_system":"Co-Fe-Li-O","density":4.340504312637899,"density_atomic":0.10307319574387187,"volume":213.44055397940826,"volume_molar":5.84258663616534,"formula_full":"Li4 Fe5 Co1 O12","formula_reduced":"Li4Fe5CoO12","formula_anonymous":"AB4C5D12","energy":-151.05709481,"energy_per_atom":-6.866231582272727,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-129.89509481,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":25.0000446,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.837000Z","spacegroup":12}]}