{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_theoretical&page=41","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_theoretical&page=39","results":[{"id":"mp-1197788","created_at":"2022-09-04T14:45:05.236373Z","structure_string":"U8 P16 H16 C8 O56\n1.0\n8.475725 0.000000 0.000000\n0.000000 11.394868 0.000000\n0.000000 0.000000 13.998153\nU P H C O\n8 16 16 8 56\ndirect\n0.667112 0.773392 0.145453 U\n0.167112 0.726608 0.854547 U\n0.332888 0.273392 0.354547 U\n0.832888 0.226608 0.645453 U\n0.332888 0.226608 0.854547 U\n0.832888 0.273392 0.145453 U\n0.667112 0.726608 0.645453 U\n0.167112 0.773392 0.354547 U\n0.504265 0.976201 0.325460 P\n0.004265 0.523799 0.674540 P\n0.495735 0.476201 0.174540 P\n0.995735 0.023799 0.825460 P\n0.495735 0.023799 0.674540 P\n0.995735 0.476201 0.325460 P\n0.504265 0.523799 0.825460 P\n0.004265 0.976201 0.174540 P\n0.752965 0.807074 0.400678 P\n0.252965 0.692926 0.599322 P\n0.247035 0.307074 0.099322 P\n0.747035 0.192926 0.900678 P\n0.247035 0.192926 0.599322 P\n0.747035 0.307074 0.400678 P\n0.752965 0.692926 0.900678 P\n0.252965 0.807074 0.099322 P\n0.762373 0.016653 0.381302 H\n0.262373 0.483347 0.618698 H\n0.237627 0.516653 0.118698 H\n0.737627 0.983347 0.881302 H\n0.237627 0.983347 0.618698 H\n0.737627 0.516653 0.381302 H\n0.762373 0.483347 0.881302 H\n0.262373 0.016653 0.118698 H\n0.640454 0.975856 0.478423 H\n0.140454 0.524144 0.521577 H\n0.359546 0.475856 0.021577 H\n0.859546 0.024144 0.978423 H\n0.359546 0.024144 0.521577 H\n0.859546 0.475856 0.478423 H\n0.640454 0.524144 0.978423 H\n0.140454 0.975856 0.021577 H\n0.671382 0.954158 0.404596 C\n0.171382 0.545842 0.595404 C\n0.328618 0.454158 0.095404 C\n0.828618 0.045842 0.904596 C\n0.328618 0.045842 0.595404 C\n0.828618 0.454158 0.404596 C\n0.671382 0.545842 0.904596 C\n0.171382 0.954158 0.095404 C\n0.553206 0.935639 0.225481 O\n0.053206 0.564361 0.774519 O\n0.446794 0.435639 0.274519 O\n0.946794 0.064361 0.725481 O\n0.446794 0.064361 0.774519 O\n0.946794 0.435639 0.225481 O\n0.553206 0.564361 0.725481 O\n0.053206 0.935639 0.274519 O\n0.934397 0.816941 0.413367 O\n0.434397 0.683059 0.586633 O\n0.065603 0.316941 0.086633 O\n0.565603 0.183059 0.913367 O\n0.065603 0.183059 0.586633 O\n0.565603 0.316941 0.413367 O\n0.934397 0.683059 0.913367 O\n0.434397 0.816941 0.086633 O\n0.713734 0.753557 0.302393 O\n0.213734 0.746443 0.697607 O\n0.286266 0.253557 0.197607 O\n0.786266 0.246443 0.802393 O\n0.286266 0.246443 0.697607 O\n0.786266 0.253557 0.302393 O\n0.713734 0.746443 0.802393 O\n0.213734 0.753557 0.197607 O\n0.358113 0.909370 0.363928 O\n0.858113 0.590630 0.636072 O\n0.641887 0.409370 0.136072 O\n0.141887 0.090630 0.863928 O\n0.641887 0.090630 0.636072 O\n0.141887 0.409370 0.363928 O\n0.358113 0.590630 0.863928 O\n0.858113 0.909370 0.136072 O\n0.832669 0.672833 0.132259 O\n0.332669 0.827167 0.867741 O\n0.167331 0.172833 0.367741 O\n0.667331 0.327167 0.632259 O\n0.167331 0.327167 0.867741 O\n0.667331 0.172833 0.132259 O\n0.832669 0.827167 0.632259 O\n0.332669 0.672833 0.367741 O\n0.469710 0.109723 0.330238 O\n0.969710 0.390277 0.669762 O\n0.530290 0.609723 0.169762 O\n0.030290 0.890277 0.830238 O\n0.530290 0.890277 0.669762 O\n0.030290 0.609723 0.330238 O\n0.469710 0.390277 0.830238 O\n0.969710 0.109723 0.169762 O\n0.680640 0.733602 0.481655 O\n0.180640 0.766398 0.518345 O\n0.319360 0.233602 0.018345 O\n0.819360 0.266398 0.981655 O\n0.319360 0.266398 0.518345 O\n0.819360 0.233602 0.481655 O\n0.680640 0.766398 0.981655 O\n0.180640 0.733602 0.018345 O\n","nsites":104,"nelements":5,"elements":["U","P","H","C","O"],"chemical_system":"C-H-O-P-U","density":4.185916708547644,"density_atomic":0.07692658395144637,"volume":1351.938363279481,"volume_molar":7.828426079339472,"formula_full":"U8 P16 H16 C8 O56","formula_reduced":"UP2H2CO7","formula_anonymous":"ABC2D2E7","energy":-817.1423026699999,"energy_per_atom":-7.857137525673076,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-778.67030267,"band_gap":1.7621,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":8.2e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:36:49.628000Z","spacegroup":61},{"id":"mp-12485","created_at":"2022-09-04T14:45:00.320068Z","structure_string":"Na2 Sm6 Si2 S14\n1.0\n5.095737 -8.826076 0.000000\n5.095737 8.826076 0.000000\n0.000000 0.000000 5.750216\nNa Sm Si S\n2 6 2 14\ndirect\n0.000000 0.000000 0.020798 Na\n0.000000 0.000000 0.520798 Na\n0.125617 0.764719 0.751333 Sm\n0.360897 0.125617 0.251333 Sm\n0.235281 0.360897 0.751333 Sm\n0.639103 0.874383 0.751333 Sm\n0.764719 0.639103 0.251333 Sm\n0.874383 0.235281 0.251333 Sm\n0.666667 0.333333 0.663056 Si\n0.333333 0.666667 0.163056 Si\n0.090206 0.830456 0.272409 S\n0.740250 0.909794 0.272409 S\n0.830456 0.740250 0.772409 S\n0.909794 0.169544 0.772409 S\n0.522320 0.409450 0.515277 S\n0.169544 0.259750 0.272409 S\n0.333333 0.666667 0.530890 S\n0.666667 0.333333 0.030890 S\n0.409450 0.887131 0.015277 S\n0.112869 0.522320 0.015277 S\n0.477680 0.590550 0.015277 S\n0.590550 0.112869 0.515277 S\n0.887131 0.477680 0.515277 S\n0.259750 0.090206 0.772409 S\n","nsites":24,"nelements":4,"elements":["Na","Sm","Si","S"],"chemical_system":"Na-S-Si-Sm","density":4.665431338388066,"density_atomic":0.046400474240648006,"volume":517.2360927935384,"volume_molar":12.97861898731296,"formula_full":"Na2 Sm6 Si2 S14","formula_reduced":"NaSm3SiS7","formula_anonymous":"ABC3D7","energy":-145.34762669,"energy_per_atom":-6.056151112083334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-138.30562669,"band_gap":2.0169,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014902,"is_theoretical":false,"updated_at":"2021-11-28T01:36:47.524000Z","spacegroup":173},{"id":"mp-9274","created_at":"2022-09-04T14:45:00.333295Z","structure_string":"Rb3 Sb2 Au3\n1.0\n7.591898 -3.328904 0.000000\n7.591898 3.328904 0.000000\n6.132236 0.000000 5.578010\nRb Sb Au\n3 2 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.918219 0.918219 0.918219 Rb\n0.081781 0.081781 0.081781 Rb\n0.247735 0.247735 0.247735 Sb\n0.752265 0.752265 0.752265 Sb\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n","nsites":8,"nelements":3,"elements":["Rb","Sb","Au"],"chemical_system":"Au-Rb-Sb","density":6.424546943201895,"density_atomic":0.028374555526946538,"volume":281.94274241239196,"volume_molar":21.22373601334808,"formula_full":"Rb3 Sb2 Au3","formula_reduced":"Rb3Sb2Au3","formula_anonymous":"A2B3C3","energy":-24.71723157,"energy_per_atom":-3.08965394625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.71723157,"band_gap":1.222,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021841,"is_theoretical":false,"updated_at":"2021-11-28T01:36:47.962000Z","spacegroup":166},{"id":"mp-1072274","created_at":"2022-09-04T14:45:00.338548Z","structure_string":"K2 C4\n1.0\n4.382068 0.000000 0.000000\n0.000000 4.382068 0.000000\n0.000000 0.000000 7.450715\nK C\n2 4\ndirect\n0.000000 0.500000 0.245797 K\n0.500000 0.000000 0.754203 K\n0.000000 0.500000 0.661475 C\n0.500000 0.000000 0.338525 C\n0.000000 0.500000 0.831332 C\n0.500000 0.000000 0.168668 C\n","nsites":6,"nelements":2,"elements":["K","C"],"chemical_system":"C-K","density":1.4651694095467658,"density_atomic":0.0419367792840551,"volume":143.0725034786178,"volume_molar":14.360045913897098,"formula_full":"K2 C4","formula_reduced":"KC2","formula_anonymous":"AB2","energy":-31.42422873,"energy_per_atom":-5.237371455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.42422873,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0022733,"is_theoretical":false,"updated_at":"2021-11-28T01:36:50.782000Z","spacegroup":129},{"id":"mp-15795","created_at":"2022-09-04T14:45:05.701256Z","structure_string":"Li1 Dy1 Se2\n1.0\n6.609508 -2.034433 0.000000\n6.609508 2.034433 0.000000\n5.983301 0.000000 3.467654\nLi Dy Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Dy\n0.249006 0.249006 0.249006 Se\n0.750994 0.750994 0.750994 Se\n","nsites":4,"nelements":3,"elements":["Li","Dy","Se"],"chemical_system":"Dy-Li-Se","density":5.829049706507609,"density_atomic":0.042892534958967596,"volume":93.25632079863153,"volume_molar":14.040067265226869,"formula_full":"Li1 Dy1 Se2","formula_reduced":"LiDySe2","formula_anonymous":"ABC2","energy":-21.22629296,"energy_per_atom":-5.30657324,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.28229296,"band_gap":1.5347999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:46.775000Z","spacegroup":166},{"id":"mp-570042","created_at":"2022-09-04T14:45:05.964798Z","structure_string":"Pr4 Al4 Pt4\n1.0\n4.520699 0.000000 0.000000\n0.000000 7.225066 0.000000\n0.000000 0.000000 7.901130\nPr Al Pt\n4 4 4\ndirect\n0.250000 0.528174 0.817566 Pr\n0.250000 0.028174 0.682434 Pr\n0.750000 0.971826 0.317566 Pr\n0.750000 0.471826 0.182434 Pr\n0.250000 0.146295 0.067137 Al\n0.750000 0.353705 0.567137 Al\n0.250000 0.646295 0.432863 Al\n0.750000 0.853705 0.932863 Al\n0.250000 0.785333 0.110757 Pt\n0.250000 0.285333 0.389243 Pt\n0.750000 0.714667 0.610757 Pt\n0.750000 0.214667 0.889243 Pt\n","nsites":12,"nelements":3,"elements":["Pr","Al","Pt"],"chemical_system":"Al-Pr-Pt","density":9.342153906138607,"density_atomic":0.04649910870341846,"volume":258.06946271892303,"volume_molar":12.951088586257725,"formula_full":"Pr4 Al4 Pt4","formula_reduced":"PrAlPt","formula_anonymous":"ABC","energy":-70.74382834,"energy_per_atom":-5.895319028333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.74382834,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001954,"is_theoretical":false,"updated_at":"2021-11-28T01:36:46.599000Z","spacegroup":62},{"id":"mp-17939","created_at":"2022-09-04T14:45:00.320166Z","structure_string":"Na6 Si3 F18\n1.0\n4.672565 -8.093119 0.000000\n4.672565 8.093119 0.000000\n0.000000 0.000000 4.582008\nNa Si F\n6 3 18\ndirect\n0.343179 0.343179 0.000000 Na\n0.000000 0.656821 0.000000 Na\n0.656821 0.000000 0.000000 Na\n0.656821 0.656821 0.000000 Na\n0.000000 0.343179 0.000000 Na\n0.343179 0.000000 0.000000 Na\n0.666667 0.333333 0.499941 Si\n0.333333 0.666667 0.500059 Si\n0.000000 0.000000 0.000000 Si\n0.579182 0.420818 0.716114 F\n0.579182 0.158363 0.716114 F\n0.841637 0.420818 0.716114 F\n0.158363 0.579182 0.283886 F\n0.420818 0.841637 0.283886 F\n0.420818 0.579182 0.283886 F\n0.754133 0.245867 0.285668 F\n0.754133 0.508266 0.285668 F\n0.491734 0.245867 0.285668 F\n0.088262 0.911738 0.209353 F\n0.088262 0.176523 0.209353 F\n0.823477 0.911738 0.209353 F\n0.176523 0.088262 0.790647 F\n0.911738 0.823477 0.790647 F\n0.911738 0.088262 0.790647 F\n0.245867 0.754133 0.714332 F\n0.245867 0.491734 0.714332 F\n0.508266 0.754133 0.714332 F\n","nsites":27,"nelements":3,"elements":["Na","Si","F"],"chemical_system":"F-Na-Si","density":2.7033307076821176,"density_atomic":0.07791241167807668,"volume":346.5429887032668,"volume_molar":7.729372805045047,"formula_full":"Na6 Si3 F18","formula_reduced":"Na2SiF6","formula_anonymous":"AB2C6","energy":-148.16766392,"energy_per_atom":-5.487691256296296,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-139.85166392,"band_gap":6.8743,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002242,"is_theoretical":false,"updated_at":"2021-11-28T01:36:49.264000Z","spacegroup":164},{"id":"mp-542168","created_at":"2022-09-04T14:45:05.236904Z","structure_string":"Cs8 Co4 Si4 O16\n1.0\n2.944257 6.419653 -0.000010\n-8.832341 6.419453 -0.000012\n0.000002 -0.000014 8.232891\nCs Co Si O\n8 4 4 16\ndirect\n0.885095 0.961701 0.273411 Cs\n0.385101 0.461699 0.273407 Cs\n0.114900 0.038302 0.773408 Cs\n0.614903 0.538300 0.773408 Cs\n0.608394 0.202776 0.917028 Cs\n0.108389 0.702775 0.917025 Cs\n0.391604 0.797227 0.417026 Cs\n0.891610 0.297224 0.417029 Cs\n0.810434 0.603487 0.194049 Co\n0.689570 0.896510 0.694052 Co\n0.310430 0.103480 0.194055 Co\n0.189570 0.396522 0.694058 Co\n0.452072 0.150688 0.478879 Si\n0.952072 0.650685 0.478880 Si\n0.547928 0.849315 0.978882 Si\n0.047930 0.349311 0.978882 Si\n0.530168 0.176702 0.292777 O\n0.030169 0.676696 0.292775 O\n0.469832 0.823301 0.792776 O\n0.969833 0.323298 0.792778 O\n0.260860 0.086964 0.437577 O\n0.760860 0.586966 0.437582 O\n0.739138 0.913036 0.937583 O\n0.239143 0.413033 0.937580 O\n0.622719 0.055516 0.579896 O\n0.122709 0.555512 0.579898 O\n0.377294 0.944489 0.079897 O\n0.877281 0.444485 0.079895 O\n0.394662 0.283609 0.579873 O\n0.894662 0.783607 0.579875 O\n0.605340 0.716396 0.079877 O\n0.105334 0.216391 0.079876 O\n","nsites":32,"nelements":4,"elements":["Cs","Co","Si","O"],"chemical_system":"Co-Cs-O-Si","density":4.4482045638545396,"density_atomic":0.05141260282281504,"volume":622.4154826450367,"volume_molar":11.713355149036714,"formula_full":"Cs8 Co4 Si4 O16","formula_reduced":"Cs2CoSiO4","formula_anonymous":"ABC2D4","energy":-210.2180009,"energy_per_atom":-6.569312528125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-192.6740009,"band_gap":2.6453,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:52.229000Z","spacegroup":36},{"id":"mp-556942","created_at":"2022-09-04T14:45:00.333035Z","structure_string":"Ca16 Si8 O32\n1.0\n9.850176 0.000000 0.000000\n0.000000 8.349728 0.000000\n0.000000 0.831494 9.842283\nCa Si O\n16 8 32\ndirect\n0.933476 0.096589 0.210654 Ca\n0.918049 0.340046 0.913531 Ca\n0.078826 0.822803 0.427501 Ca\n0.287459 0.379255 0.925030 Ca\n0.421174 0.822803 0.927501 Ca\n0.418049 0.659954 0.586469 Ca\n0.921174 0.177197 0.572499 Ca\n0.578826 0.177197 0.072499 Ca\n0.212541 0.379255 0.425030 Ca\n0.566524 0.096589 0.710654 Ca\n0.581951 0.340046 0.413531 Ca\n0.433476 0.903411 0.289346 Ca\n0.787459 0.620745 0.574970 Ca\n0.081951 0.659954 0.086469 Ca\n0.712541 0.620745 0.074970 Ca\n0.066524 0.903411 0.789346 Ca\n0.072939 0.541362 0.699191 Si\n0.572939 0.458638 0.800809 Si\n0.702860 0.976845 0.429802 Si\n0.797140 0.976845 0.929802 Si\n0.427061 0.541362 0.199191 Si\n0.202860 0.023155 0.070198 Si\n0.297140 0.023155 0.570198 Si\n0.927061 0.458638 0.300809 Si\n0.597036 0.461266 0.633917 O\n0.620059 0.821097 0.501747 O\n0.698690 0.130095 0.526639 O\n0.365530 0.061660 0.092174 O\n0.547433 0.408690 0.175377 O\n0.865530 0.938340 0.407826 O\n0.902964 0.461266 0.133917 O\n0.452567 0.591310 0.824623 O\n0.634470 0.938340 0.907826 O\n0.379941 0.178903 0.498253 O\n0.715088 0.494380 0.878449 O\n0.952567 0.408690 0.675377 O\n0.368998 0.952814 0.714232 O\n0.134470 0.061660 0.592174 O\n0.198690 0.869905 0.973361 O\n0.879941 0.821097 0.001747 O\n0.284912 0.505620 0.121551 O\n0.506908 0.283246 0.857691 O\n0.402964 0.538734 0.366083 O\n0.215088 0.505620 0.621551 O\n0.047433 0.591310 0.324623 O\n0.993092 0.283246 0.357691 O\n0.784912 0.494380 0.378449 O\n0.131002 0.952814 0.214232 O\n0.868998 0.047186 0.785768 O\n0.493092 0.716754 0.142309 O\n0.631002 0.047186 0.285768 O\n0.801310 0.130095 0.026639 O\n0.301310 0.869905 0.473361 O\n0.006908 0.716754 0.642309 O\n0.120059 0.178903 0.998253 O\n0.097036 0.538734 0.866083 O\n","nsites":56,"nelements":3,"elements":["Ca","Si","O"],"chemical_system":"Ca-O-Si","density":2.826562969509904,"density_atomic":0.06917925170702971,"volume":809.4912653458134,"volume_molar":8.705125614112497,"formula_full":"Ca16 Si8 O32","formula_reduced":"Ca2SiO4","formula_anonymous":"AB2C4","energy":-427.65399053,"energy_per_atom":-7.6366784023214285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-405.66999053,"band_gap":4.5153,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015618,"is_theoretical":false,"updated_at":"2021-11-28T01:36:51.526000Z","spacegroup":14},{"id":"mp-29400","created_at":"2022-09-04T14:45:05.303520Z","structure_string":"Cs2 Fe2 Cl6\n1.0\n3.750040 -6.495260 0.000000\n3.750040 6.495260 0.000000\n0.000000 0.000000 5.848597\nCs Fe Cl\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Cs\n0.666667 0.333333 0.250000 Cs\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.154588 0.309177 0.250000 Cl\n0.845412 0.154588 0.750000 Cl\n0.309177 0.154588 0.750000 Cl\n0.690823 0.845412 0.250000 Cl\n0.154588 0.845412 0.250000 Cl\n0.845412 0.690823 0.750000 Cl\n","nsites":10,"nelements":3,"elements":["Cs","Fe","Cl"],"chemical_system":"Cl-Cs-Fe","density":3.439917915607559,"density_atomic":0.03509828262771649,"volume":284.914225179302,"volume_molar":17.157935685560926,"formula_full":"Cs2 Fe2 Cl6","formula_reduced":"CsFeCl3","formula_anonymous":"ABC3","energy":-43.72497475,"energy_per_atom":-4.372497475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.04097475,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0798193,"is_theoretical":false,"updated_at":"2021-11-28T01:36:50.728000Z","spacegroup":194},{"id":"mp-11697","created_at":"2022-09-04T14:44:58.987290Z","structure_string":"Ta2 Sb4\n1.0\n1.846218 5.174580 0.000000\n-1.846218 5.174580 0.000000\n0.000000 4.245709 7.236712\nTa Sb\n2 4\ndirect\n0.150727 0.150727 0.311397 Ta\n0.849273 0.849273 0.688603 Ta\n0.851589 0.851589 0.034779 Sb\n0.148411 0.148411 0.965221 Sb\n0.594761 0.594761 0.612468 Sb\n0.405239 0.405239 0.387532 Sb\n","nsites":6,"nelements":2,"elements":["Ta","Sb"],"chemical_system":"Sb-Ta","density":10.195171926099409,"density_atomic":0.04339322007068357,"volume":138.2704484762032,"volume_molar":13.87806839453372,"formula_full":"Ta2 Sb4","formula_reduced":"TaSb2","formula_anonymous":"AB2","energy":-41.86178846,"energy_per_atom":-6.976964743333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.09378846,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011325,"is_theoretical":false,"updated_at":"2021-11-28T01:36:54.122000Z","spacegroup":12},{"id":"mp-1205385","created_at":"2022-09-04T14:45:06.119934Z","structure_string":"Dy4 Cr1 Ga12\n1.0\n-4.307972 4.307972 4.307972\n4.307972 -4.307972 4.307972\n4.307972 4.307972 -4.307972\nDy Cr Ga\n4 1 12\ndirect\n0.000000 0.000000 0.500000 Dy\n0.000000 0.500000 0.000000 Dy\n0.500000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Cr\n0.714381 0.714381 0.000000 Ga\n0.285619 0.000000 0.285619 Ga\n0.000000 0.285619 0.285619 Ga\n0.285619 0.285619 0.000000 Ga\n0.714381 0.000000 0.714381 Ga\n0.000000 0.714381 0.714381 Ga\n0.750000 0.250000 0.500000 Ga\n0.750000 0.500000 0.250000 Ga\n0.500000 0.250000 0.750000 Ga\n0.250000 0.500000 0.750000 Ga\n0.250000 0.750000 0.500000 Ga\n0.500000 0.750000 0.250000 Ga\n","nsites":17,"nelements":3,"elements":["Dy","Cr","Ga"],"chemical_system":"Cr-Dy-Ga","density":7.989444228277598,"density_atomic":0.05315820581976063,"volume":319.8001087102257,"volume_molar":11.328713351272242,"formula_full":"Dy4 Cr1 Ga12","formula_reduced":"Dy4CrGa12","formula_anonymous":"AB4C12","energy":-72.90212955,"energy_per_atom":-4.288360561764706,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.90212955,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9816534,"is_theoretical":false,"updated_at":"2021-11-28T01:36:46.532000Z","spacegroup":229}]}