{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=47","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=45","results":[{"id":"mp-161","created_at":"2022-09-04T14:40:42.808772Z","structure_string":"B105\n1.0\n8.526042 -5.457252 0.000000\n8.526042 5.457252 0.000000\n5.033026 0.000000 8.783145\nB\n105\ndirect\n0.163903 0.002603 0.002603 B\n0.002603 0.002603 0.163903 B\n0.002603 0.163903 0.002603 B\n0.997397 0.836097 0.997397 B\n0.836097 0.997397 0.997397 B\n0.997397 0.997397 0.836097 B\n0.841382 0.099510 0.099510 B\n0.099510 0.099510 0.841382 B\n0.099510 0.841382 0.099510 B\n0.900490 0.158618 0.900490 B\n0.158618 0.900490 0.900490 B\n0.900490 0.900490 0.158618 B\n0.665143 0.995099 0.995099 B\n0.995099 0.995099 0.665143 B\n0.995099 0.665143 0.995099 B\n0.004901 0.334857 0.004901 B\n0.334857 0.004901 0.004901 B\n0.004901 0.004901 0.334857 B\n0.490450 0.104167 0.104167 B\n0.104167 0.104167 0.490450 B\n0.104167 0.490450 0.104167 B\n0.895833 0.509550 0.895833 B\n0.509550 0.895833 0.895833 B\n0.895833 0.895833 0.509550 B\n0.003863 0.349664 0.173988 B\n0.349664 0.173988 0.003863 B\n0.173988 0.003863 0.349664 B\n0.650336 0.996137 0.826012 B\n0.996137 0.826012 0.650336 B\n0.826012 0.650336 0.996137 B\n0.996137 0.650336 0.826012 B\n0.650337 0.826012 0.996137 B\n0.826012 0.996137 0.650336 B\n0.349664 0.003863 0.173988 B\n0.003863 0.173988 0.349664 B\n0.173988 0.349664 0.003863 B\n0.895056 0.551013 0.165948 B\n0.551013 0.165948 0.895056 B\n0.165948 0.895056 0.551013 B\n0.448987 0.104944 0.834052 B\n0.104944 0.834052 0.448987 B\n0.834052 0.448987 0.104944 B\n0.104944 0.448987 0.834052 B\n0.448987 0.834052 0.104944 B\n0.834052 0.104944 0.448987 B\n0.551013 0.895056 0.165948 B\n0.895056 0.165948 0.551013 B\n0.165948 0.551013 0.895056 B\n0.686828 0.198904 0.198904 B\n0.198904 0.198904 0.686828 B\n0.198904 0.686828 0.198904 B\n0.801096 0.313172 0.801096 B\n0.313172 0.801096 0.801096 B\n0.801096 0.801096 0.313172 B\n0.200174 0.684099 0.375545 B\n0.684099 0.375545 0.200174 B\n0.375545 0.200174 0.684099 B\n0.315901 0.799826 0.624455 B\n0.799826 0.624455 0.315901 B\n0.624455 0.315901 0.799826 B\n0.799826 0.315901 0.624455 B\n0.315901 0.624455 0.799826 B\n0.624455 0.799826 0.315901 B\n0.684099 0.200174 0.375545 B\n0.200174 0.375545 0.684099 B\n0.375545 0.684099 0.200174 B\n0.095973 0.580363 0.363569 B\n0.580363 0.363569 0.095973 B\n0.363569 0.095973 0.580363 B\n0.419638 0.904027 0.636431 B\n0.904027 0.636431 0.419638 B\n0.636431 0.419637 0.904027 B\n0.904027 0.419637 0.636431 B\n0.419638 0.636431 0.904027 B\n0.636431 0.904027 0.419638 B\n0.580363 0.095973 0.363569 B\n0.095973 0.363569 0.580363 B\n0.363569 0.580363 0.095973 B\n0.506039 0.199172 0.199172 B\n0.199172 0.199172 0.506039 B\n0.199172 0.506039 0.199172 B\n0.800828 0.493961 0.800828 B\n0.493961 0.800828 0.800828 B\n0.800828 0.800828 0.493961 B\n0.568265 0.384427 0.384427 B\n0.384427 0.384427 0.568265 B\n0.384427 0.568265 0.384427 B\n0.615573 0.431735 0.615573 B\n0.431735 0.615573 0.615573 B\n0.615573 0.615573 0.431735 B\n0.221092 0.489318 0.489318 B\n0.489318 0.489318 0.221092 B\n0.489318 0.221092 0.489318 B\n0.510682 0.778908 0.510682 B\n0.778908 0.510682 0.510682 B\n0.510682 0.510682 0.778908 B\n0.213560 0.381579 0.381579 B\n0.381579 0.381579 0.213560 B\n0.381579 0.213560 0.381579 B\n0.618421 0.786440 0.618421 B\n0.786440 0.618421 0.618421 B\n0.618421 0.618421 0.786440 B\n0.384809 0.384809 0.384809 B\n0.615191 0.615191 0.615191 B\n0.500000 0.500000 0.500000 B\n","nsites":105,"nelements":1,"elements":["B"],"chemical_system":"B","density":2.3062306481269723,"density_atomic":0.12846587358103978,"volume":817.3376872244841,"volume_molar":4.687735810398759,"formula_full":"B105","formula_reduced":"B","formula_anonymous":"A","energy":-698.50363198,"energy_per_atom":-6.652415542666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-698.50363198,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.1900035,"is_theoretical":false,"updated_at":"2021-11-28T01:35:08.473000Z","spacegroup":166},{"id":"mp-570384","created_at":"2022-09-04T14:45:23.535245Z","structure_string":"Ba4\n1.0\n-4.172434 4.172434 3.775774\n4.172434 -4.172434 3.775774\n4.172434 4.172434 -3.775774\nBa\n4\ndirect\n0.174989 0.674989 0.849978 Ba\n0.825011 0.325011 0.150022 Ba\n0.674989 0.825011 0.500000 Ba\n0.325011 0.174989 0.500000 Ba\n","nsites":4,"nelements":1,"elements":["Ba"],"chemical_system":"Ba","density":3.4691261065084897,"density_atomic":0.015213006717400479,"volume":262.9329017139552,"volume_molar":39.58547361391708,"formula_full":"Ba4","formula_reduced":"Ba","formula_anonymous":"A","energy":-7.15351697,"energy_per_atom":-1.7883792425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.15351697,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010564,"is_theoretical":false,"updated_at":"2021-11-28T01:37:06.455000Z","spacegroup":140},{"id":"mp-94","created_at":"2022-09-04T14:44:22.695964Z","structure_string":"Cd2\n1.0\n1.503923 -2.604871 0.000000\n1.503923 2.604871 0.000000\n0.000000 0.000000 5.941963\nCd\n2\ndirect\n0.333333 0.666667 0.250000 Cd\n0.666667 0.333333 0.750000 Cd\n","nsites":2,"nelements":1,"elements":["Cd"],"chemical_system":"Cd","density":8.018924852597033,"density_atomic":0.04295940274785382,"volume":46.55558206287951,"volume_molar":14.01821341731958,"formula_full":"Cd2","formula_reduced":"Cd","formula_anonymous":"A","energy":-1.8185637,"energy_per_atom":-0.90928185,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.8185637,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000265,"is_theoretical":false,"updated_at":"2021-11-28T01:36:36.181000Z","spacegroup":194},{"id":"mp-569289","created_at":"2022-09-04T14:40:37.238752Z","structure_string":"Hg1\n1.0\n-2.069695 2.069695 1.802258\n2.069695 -2.069695 1.802258\n2.069695 2.069695 -1.802258\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n","nsites":1,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":10.7862062769837,"density_atomic":0.03238249787568613,"volume":30.880879042713797,"volume_molar":18.596900038775654,"formula_full":"Hg1","formula_reduced":"Hg","formula_anonymous":"A","energy":-0.2961163,"energy_per_atom":-0.2961163,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.2961163,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.08e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:06.248000Z","spacegroup":139},{"id":"mp-1180064","created_at":"2022-09-04T14:48:06.363050Z","structure_string":"O10\n1.0\n5.160296 0.000000 0.000000\n-0.023517 5.240192 0.000000\n-0.051073 -0.024406 5.889941\nO\n10\ndirect\n0.866281 0.499618 0.988550 O\n0.094882 0.426418 0.980897 O\n0.374634 0.988089 0.511237 O\n0.601607 0.067239 0.523596 O\n0.500982 0.870895 0.014881 O\n0.427240 0.096182 0.018788 O\n0.925787 0.414374 0.482834 O\n0.986453 0.643905 0.486987 O\n0.610868 0.378399 0.500543 O\n0.111266 0.114881 0.991685 O\n","nsites":10,"nelements":1,"elements":["O"],"chemical_system":"O","density":1.668092138618401,"density_atomic":0.06278663989200188,"volume":159.2695518855733,"volume_molar":9.591436602370457,"formula_full":"O10","formula_reduced":"O","formula_anonymous":"A","energy":-45.60947433,"energy_per_atom":-4.560947433,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.60947433,"band_gap":0.0423,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9993086,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.037000Z","spacegroup":1},{"id":"mp-1183069","created_at":"2022-09-04T14:45:32.661699Z","structure_string":"Ac3\n1.0\n9.731660 -2.006425 0.000000\n9.731660 2.006425 0.000000\n9.317985 0.000000 3.450521\nAc\n3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.777399 0.777399 0.777399 Ac\n0.222601 0.222601 0.222601 Ac\n","nsites":3,"nelements":1,"elements":["Ac"],"chemical_system":"Ac","density":8.392119917536471,"density_atomic":0.02226366847386311,"volume":134.74868274839395,"volume_molar":27.049184491180398,"formula_full":"Ac3","formula_reduced":"Ac","formula_anonymous":"A","energy":-12.228251020000002,"energy_per_atom":-4.076083673333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.228251020000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028461,"is_theoretical":true,"updated_at":"2021-11-28T01:37:01.266000Z","spacegroup":166},{"id":"mp-1065250","created_at":"2022-09-04T14:40:00.319626Z","structure_string":"S4\n1.0\n4.938001 0.000000 0.000000\n0.000000 3.722865 0.000000\n0.000000 0.059211 7.330897\nS\n4\ndirect\n0.346883 0.227164 0.260560 S\n0.153117 0.727164 0.260560 S\n0.846883 0.272836 0.739440 S\n0.653117 0.772836 0.739440 S\n","nsites":4,"nelements":1,"elements":["S"],"chemical_system":"S","density":1.580355360538621,"density_atomic":0.02968071865046948,"volume":134.76762632015075,"volume_molar":20.28974038977572,"formula_full":"S4","formula_reduced":"S","formula_anonymous":"A","energy":-15.15528865,"energy_per_atom":-3.7888221625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.15528865,"band_gap":0.6825999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001275,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.454000Z","spacegroup":14},{"id":"mp-1095534","created_at":"2022-09-04T14:46:24.019461Z","structure_string":"C12\n1.0\n-4.749414 4.749414 1.419953\n4.749414 -4.749414 1.419953\n4.749414 4.749414 -1.419953\nC\n12\ndirect\n0.785284 0.214716 0.000000 C\n0.214716 0.785284 0.000000 C\n0.214716 0.214716 0.429432 C\n0.785284 0.785284 0.570568 C\n0.936386 0.237972 0.174358 C\n0.063614 0.762028 0.825642 C\n0.063614 0.237972 0.301586 C\n0.936386 0.762028 0.698414 C\n0.762028 0.936386 0.698414 C\n0.237972 0.063614 0.301586 C\n0.237972 0.936386 0.174358 C\n0.762028 0.063614 0.825642 C\n","nsites":12,"nelements":1,"elements":["C"],"chemical_system":"C","density":1.8680334376516554,"density_atomic":0.09366281990069324,"volume":128.11914068702072,"volume_molar":6.429595827229016,"formula_full":"C12","formula_reduced":"C","formula_anonymous":"A","energy":-97.26369794,"energy_per_atom":-8.105308161666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.26369794,"band_gap":0.3717999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.13e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:31.015000Z","spacegroup":139},{"id":"mp-58","created_at":"2022-09-04T14:47:28.022673Z","structure_string":"K1\n1.0\n-2.631059 2.631060 2.631060\n2.631059 -2.631060 2.631060\n2.631060 2.631060 -2.631059\nK\n1\ndirect\n0.000000 0.000000 0.000000 K\n","nsites":1,"nelements":1,"elements":["K"],"chemical_system":"K","density":0.8911581989182845,"density_atomic":0.013726121379110086,"volume":72.85379258862663,"volume_molar":43.87357938685544,"formula_full":"K1","formula_reduced":"K","formula_anonymous":"A","energy":-1.10082171,"energy_per_atom":-1.10082171,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.10082171,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003526,"is_theoretical":false,"updated_at":"2021-11-28T01:38:14.452000Z","spacegroup":229},{"id":"mp-1245242","created_at":"2022-09-04T14:48:04.450509Z","structure_string":"Si100\n1.0\n12.341939 0.994215 -0.817928\n0.899458 12.602515 -1.089302\n-0.787931 -1.189985 12.529402\nSi\n100\ndirect\n0.107416 0.928974 0.489870 Si\n0.072505 0.430407 0.547681 Si\n0.341158 0.405417 0.697023 Si\n0.662738 0.341278 0.730780 Si\n0.226492 0.004496 0.397559 Si\n0.420641 0.062285 0.206205 Si\n0.894916 0.635448 0.781319 Si\n0.663330 0.027778 0.627054 Si\n0.215963 0.691336 0.715841 Si\n0.613196 0.378662 0.554788 Si\n0.782654 0.324374 0.476086 Si\n0.930085 0.027419 0.464230 Si\n0.699006 0.969713 0.933171 Si\n0.477748 0.829316 0.772232 Si\n0.328351 0.716184 0.031302 Si\n0.696677 0.106233 0.399520 Si\n0.340245 0.400367 0.492540 Si\n0.374052 0.277006 0.825458 Si\n0.516785 0.165047 0.122597 Si\n0.072205 0.517316 0.014687 Si\n0.419449 0.093607 0.766188 Si\n0.853204 0.996757 0.067812 Si\n0.887648 0.466321 0.471596 Si\n0.889603 0.771921 0.563253 Si\n0.261216 0.132018 0.563751 Si\n0.506447 0.759533 0.015805 Si\n0.843427 0.180338 0.900921 Si\n0.115094 0.008566 0.064220 Si\n0.961449 0.957982 0.243232 Si\n0.385509 0.528879 0.997367 Si\n0.056263 0.813488 0.665510 Si\n0.341765 0.741820 0.469641 Si\n0.571121 0.267866 0.853736 Si\n0.984251 0.689040 0.095358 Si\n0.968273 0.376741 0.021407 Si\n0.802645 0.193228 0.096174 Si\n0.147803 0.739057 0.435212 Si\n0.196422 0.781872 0.896819 Si\n0.669589 0.815942 0.805783 Si\n0.717191 0.584086 0.148461 Si\n0.553192 0.518478 0.305588 Si\n0.684879 0.179638 0.234514 Si\n0.417052 0.918640 0.944516 Si\n0.357844 0.848803 0.340932 Si\n0.508066 0.710832 0.202193 Si\n0.405439 0.882403 0.605558 Si\n0.951806 0.207756 0.453740 Si\n0.834374 0.761389 0.376539 Si\n0.886123 0.993439 0.793765 Si\n0.929383 0.317586 0.176044 Si\n0.653601 0.504943 0.851613 Si\n0.164433 0.389181 0.395819 Si\n0.504522 0.088014 0.398895 Si\n0.741165 0.660510 0.877460 Si\n0.464678 0.049285 0.574163 Si\n0.786408 0.716571 0.067981 Si\n0.942836 0.626338 0.259838 Si\n0.092812 0.255741 0.592127 Si\n0.258403 0.446107 0.070000 Si\n0.540901 0.901014 0.166576 Si\n0.719687 0.843680 0.639306 Si\n0.515546 0.062740 0.943501 Si\n0.012210 0.317212 0.753620 Si\n0.654222 0.323274 0.030777 Si\n0.837655 0.475811 0.273104 Si\n0.771342 0.441631 0.000159 Si\n0.045757 0.069242 0.897036 Si\n0.657744 0.697610 0.360195 Si\n0.286850 0.072437 0.043582 Si\n0.080117 0.790052 0.252336 Si\n0.414579 0.660380 0.720799 Si\n0.048272 0.251339 0.315213 Si\n0.039368 0.834241 0.003055 Si\n0.681851 0.097428 0.815299 Si\n0.550767 0.492932 0.114068 Si\n0.103597 0.067456 0.253843 Si\n0.546611 0.872090 0.351051 Si\n0.700505 0.370358 0.308783 Si\n0.398408 0.550265 0.411685 Si\n0.830793 0.615104 0.594262 Si\n0.261214 0.002393 0.686182 Si\n0.061426 0.002957 0.678078 Si\n0.041172 0.501194 0.822237 Si\n0.261890 0.738938 0.200704 Si\n0.488032 0.282258 0.425061 Si\n0.168285 0.517350 0.705303 Si\n0.646983 0.685675 0.544645 Si\n0.526144 0.569952 0.575418 Si\n0.801542 0.935216 0.325478 Si\n0.271455 0.256806 0.976874 Si\n0.454269 0.521195 0.826870 Si\n0.842092 0.247806 0.735560 Si\n0.116926 0.561621 0.341703 Si\n0.505165 0.327452 0.251099 Si\n0.266947 0.561162 0.245633 Si\n0.082786 0.247399 0.910318 Si\n0.844970 0.072198 0.628092 Si\n0.959503 0.812228 0.819492 Si\n0.725390 0.903252 0.138377 Si\n0.224011 0.956645 0.859563 Si\n","nsites":100,"nelements":1,"elements":["Si"],"chemical_system":"Si","density":2.4350755585557375,"density_atomic":0.05221330501477975,"volume":1915.2206505926702,"volume_molar":11.533728344327839,"formula_full":"Si100","formula_reduced":"Si","formula_anonymous":"A","energy":-510.84078139,"energy_per_atom":-5.1084078139,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-510.84078139,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.758000Z","spacegroup":1},{"id":"mp-1182425","created_at":"2022-09-04T14:40:01.345437Z","structure_string":"B12\n1.0\n3.621913 2.310403 6.163776\n-2.133934 2.569353 3.013264\n-3.060961 -4.544889 -1.076794\nB\n12\ndirect\n0.205361 0.740347 0.000000 B\n0.998252 0.468183 0.753717 B\n0.244535 0.468183 0.246283 B\n0.794639 0.259653 0.000000 B\n0.001748 0.531817 0.246283 B\n0.755465 0.531817 0.753717 B\n0.088000 0.179893 0.000000 B\n0.481624 0.567711 0.363304 B\n0.118320 0.567711 0.636696 B\n0.912000 0.820107 0.000000 B\n0.518376 0.432289 0.636696 B\n0.881680 0.432289 0.363304 B\n","nsites":12,"nelements":1,"elements":["B"],"chemical_system":"B","density":1.7771704951419987,"density_atomic":0.09899519822368441,"volume":121.21800062347896,"volume_molar":6.083265520002984,"formula_full":"B12","formula_reduced":"B","formula_anonymous":"A","energy":-74.36469827,"energy_per_atom":-6.197058189166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.36469827,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003072,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.579000Z","spacegroup":12},{"id":"mp-23155","created_at":"2022-09-04T14:46:23.799344Z","structure_string":"Ar1\n1.0\n0.000000 2.820386 2.820386\n2.820386 0.000000 2.820386\n2.820386 2.820386 0.000000\nAr\n1\ndirect\n0.000000 0.000000 0.000000 Ar\n","nsites":1,"nelements":1,"elements":["Ar"],"chemical_system":"Ar","density":1.4783882163665782,"density_atomic":0.02228662746560924,"volume":44.86995627952735,"volume_molar":27.021319261035963,"formula_full":"Ar1","formula_reduced":"Ar","formula_anonymous":"A","energy":-0.06880822,"energy_per_atom":-0.06880822,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.06880822,"band_gap":8.5132,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:36.260000Z","spacegroup":225}]}