{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=10178","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=10176","results":[{"id":"mp-1219489","created_at":"2022-09-04T14:41:12.238614Z","structure_string":"Sc1 Se2 O10\n1.0\n5.326108 0.000000 0.000000\n2.374224 4.794263 0.000000\n2.378262 0.363946 8.564148\nSc Se O\n1 2 10\ndirect\n0.000000 0.000000 0.000000 Sc\n0.428465 0.373079 0.805729 Se\n0.571535 0.626921 0.194271 Se\n0.761700 0.253564 0.833509 O\n0.273511 0.720011 0.819039 O\n0.238300 0.746436 0.166491 O\n0.726489 0.279989 0.180961 O\n0.432474 0.298840 0.628598 O\n0.567526 0.701160 0.371402 O\n0.244732 0.231113 0.946137 O\n0.755268 0.768887 0.053863 O\n0.193955 0.020806 0.494012 O\n0.806045 0.979194 0.505988 O\n","nsites":13,"nelements":3,"elements":["Sc","Se","O"],"chemical_system":"O-Sc-Se","density":2.7553962934079115,"density_atomic":0.05944664718987428,"volume":218.68348535246454,"volume_molar":10.130328697538,"formula_full":"Sc1 Se2 O10","formula_reduced":"Sc(SeO5)2","formula_anonymous":"AB2C10","energy":-77.09960274000001,"energy_per_atom":-5.930738672307693,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.22960274,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0710776,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.387000Z","spacegroup":2},{"id":"mp-1195683","created_at":"2022-09-04T14:43:39.482299Z","structure_string":"Na10 Lu2 H8 C8 O28\n1.0\n7.645634 0.000000 0.000000\n0.000000 7.645634 0.000000\n0.000000 0.000000 11.670033\nNa Lu H C O\n10 2 8 8 28\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.318660 0.823807 0.707758 Na\n0.818660 0.676193 0.792242 Na\n0.681340 0.176193 0.707758 Na\n0.181340 0.323807 0.792242 Na\n0.823807 0.681340 0.292242 Na\n0.676193 0.181340 0.207758 Na\n0.176193 0.318660 0.292242 Na\n0.323807 0.818660 0.207758 Na\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Lu\n0.579007 0.934845 0.882971 H\n0.079007 0.565155 0.617029 H\n0.420993 0.065155 0.882971 H\n0.920993 0.434845 0.617029 H\n0.934845 0.420993 0.117029 H\n0.565155 0.920993 0.382971 H\n0.065155 0.579007 0.117029 H\n0.434845 0.079007 0.382971 H\n0.319910 0.215754 0.578072 C\n0.819910 0.284246 0.921928 C\n0.680090 0.784246 0.578072 C\n0.180090 0.715754 0.921928 C\n0.215754 0.680090 0.421928 C\n0.284246 0.180090 0.078072 C\n0.784246 0.319910 0.421928 C\n0.715754 0.819910 0.078072 C\n0.500000 0.000000 0.830800 O\n0.000000 0.500000 0.669200 O\n0.000000 0.500000 0.169200 O\n0.500000 0.000000 0.330800 O\n0.248858 0.664417 0.532868 O\n0.748858 0.835583 0.967132 O\n0.751142 0.335583 0.532868 O\n0.251142 0.164417 0.967132 O\n0.664417 0.751142 0.467132 O\n0.835583 0.251142 0.032868 O\n0.335583 0.248858 0.467132 O\n0.164417 0.748858 0.032868 O\n0.406503 0.323451 0.645727 O\n0.906503 0.176549 0.854273 O\n0.593497 0.676549 0.645727 O\n0.093497 0.823451 0.854273 O\n0.323451 0.593497 0.354273 O\n0.176549 0.093497 0.145727 O\n0.676549 0.406503 0.354273 O\n0.823451 0.906503 0.145727 O\n0.227346 0.092241 0.617649 O\n0.727346 0.407759 0.882351 O\n0.772654 0.907759 0.617649 O\n0.272654 0.592241 0.882351 O\n0.092241 0.772654 0.382351 O\n0.407759 0.272654 0.117649 O\n0.907759 0.227346 0.382351 O\n0.592241 0.727346 0.117649 O\n","nsites":56,"nelements":5,"elements":["Na","Lu","H","C","O"],"chemical_system":"C-H-Lu-Na-O","density":2.7553871251543907,"density_atomic":0.08208975023128257,"volume":682.1801728257623,"volume_molar":7.336044686496192,"formula_full":"Na10 Lu2 H8 C8 O28","formula_reduced":"Na5LuH4(C2O7)2","formula_anonymous":"AB4C4D5E14","energy":-379.39665342,"energy_per_atom":-6.7749402396428575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-360.16065342,"band_gap":4.793100000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027054,"is_theoretical":false,"updated_at":"2021-11-28T01:36:21.891000Z","spacegroup":114},{"id":"mp-542100","created_at":"2022-09-04T14:45:21.216151Z","structure_string":"K4 Nb2 Si8 O23\n1.0\n-6.882609 0.000000 0.000000\n2.450730 7.576859 0.000000\n-0.155443 -2.804626 -10.804140\nK Nb Si O\n4 2 8 23\ndirect\n0.277549 0.243681 0.481018 K\n0.722451 0.756319 0.518982 K\n0.332625 0.298704 0.147900 K\n0.667375 0.701296 0.852100 K\n0.784890 0.273035 0.310202 Nb\n0.215110 0.726965 0.689798 Nb\n0.969824 0.894297 0.212190 Si\n0.030176 0.105703 0.787810 Si\n0.173055 0.696123 0.375974 Si\n0.826945 0.303877 0.624026 Si\n0.513892 0.818089 0.214846 Si\n0.486108 0.181911 0.785154 Si\n0.169175 0.695952 0.004749 Si\n0.830825 0.304048 0.995251 Si\n0.374818 0.708558 0.084233 O\n0.625182 0.291442 0.915767 O\n0.405848 0.722360 0.324918 O\n0.594152 0.277640 0.675082 O\n0.726908 0.768552 0.189673 O\n0.273092 0.231448 0.810327 O\n0.547695 0.033677 0.254009 O\n0.452305 0.966323 0.745991 O\n0.050751 0.479381 0.338331 O\n0.949249 0.520619 0.661669 O\n0.002349 0.107626 0.260548 O\n0.997651 0.892374 0.739452 O\n0.614189 0.403593 0.363409 O\n0.385811 0.596407 0.636591 O\n0.074408 0.855491 0.077911 O\n0.925592 0.144509 0.922089 O\n0.769719 0.283061 0.130560 O\n0.230281 0.716939 0.869440 O\n0.000000 0.500000 0.000000 O\n0.068914 0.815066 0.310835 O\n0.931086 0.184934 0.689165 O\n0.818263 0.217872 0.476488 O\n0.181737 0.782128 0.523512 O\n","nsites":37,"nelements":4,"elements":["K","Nb","Si","O"],"chemical_system":"K-Nb-O-Si","density":2.7553113167908974,"density_atomic":0.06567033284318487,"volume":563.4203208373077,"volume_molar":9.170260754396294,"formula_full":"K4 Nb2 Si8 O23","formula_reduced":"K4Nb2Si8O23","formula_anonymous":"A2B4C8D23","energy":-296.2744617299999,"energy_per_atom":-8.007417884594593,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-280.47346173,"band_gap":3.794,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0020736,"is_theoretical":false,"updated_at":"2021-11-28T01:37:07.262000Z","spacegroup":2},{"id":"mp-22909","created_at":"2022-09-04T14:45:57.545575Z","structure_string":"Zn2 Cl4\n1.0\n-2.824064 2.824064 5.150436\n2.824064 -2.824064 5.150436\n2.824064 2.824064 -5.150436\nZn Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Zn\n0.375000 0.352427 0.477427 Cl\n0.647573 0.125000 0.022573 Cl\n0.102427 0.625000 0.977427 Cl\n0.875000 0.897573 0.522573 Cl\n","nsites":6,"nelements":2,"elements":["Zn","Cl"],"chemical_system":"Cl-Zn","density":2.7553050328363193,"density_atomic":0.03651726094019925,"volume":164.3058609961359,"volume_molar":16.491217043528735,"formula_full":"Zn2 Cl4","formula_reduced":"ZnCl2","formula_anonymous":"AB2","energy":-19.2550326,"energy_per_atom":-3.2091721,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.7990326,"band_gap":4.0533,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":6.56e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:12.501000Z","spacegroup":122},{"id":"mp-757359","created_at":"2022-09-04T14:46:31.507001Z","structure_string":"Li2 Fe4 P4 O16\n1.0\n5.245504 0.000000 0.000000\n0.000000 8.537250 0.000000\n0.000000 2.828808 8.305463\nLi Fe P O\n2 4 4 16\ndirect\n0.824332 0.094371 0.032298 Li\n0.175668 0.594371 0.032298 Li\n0.806101 0.338462 0.266933 Fe\n0.316941 0.502453 0.742988 Fe\n0.193899 0.838462 0.266933 Fe\n0.683059 0.002453 0.742988 Fe\n0.311077 0.231516 0.125325 P\n0.813666 0.359264 0.638634 P\n0.688923 0.731516 0.125325 P\n0.186334 0.859264 0.638634 P\n0.183740 0.076260 0.103383 O\n0.348671 0.998241 0.668772 O\n0.601523 0.202534 0.155297 O\n0.185238 0.286394 0.257443 O\n0.784077 0.199549 0.791191 O\n0.725580 0.307850 0.496259 O\n0.094451 0.418118 0.620941 O\n0.816260 0.576260 0.103383 O\n0.272508 0.380956 0.964139 O\n0.651329 0.498241 0.668772 O\n0.398477 0.702534 0.155297 O\n0.814762 0.786394 0.257443 O\n0.215923 0.699549 0.791191 O\n0.274420 0.807850 0.496259 O\n0.905549 0.918118 0.620941 O\n0.727492 0.880956 0.964139 O\n","nsites":26,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":2.7553004637580973,"density_atomic":0.06990436232007965,"volume":371.9367309432081,"volume_molar":8.614828259824025,"formula_full":"Li2 Fe4 P4 O16","formula_reduced":"LiFe2(PO4)2","formula_anonymous":"AB2C2D8","energy":-200.42656512,"energy_per_atom":-7.708714043076923,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-180.41056512,"band_gap":1.5209,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:34.521000Z","spacegroup":7},{"id":"mp-556250","created_at":"2022-09-04T14:44:59.114813Z","structure_string":"K4 Sr4 B20 O36\n1.0\n8.073297 0.000000 0.000000\n0.000000 6.744875 0.000000\n0.000000 0.768504 14.377754\nK Sr B O\n4 4 20 36\ndirect\n0.655100 0.501334 0.099337 K\n0.155100 0.498666 0.400663 K\n0.844900 0.501334 0.599337 K\n0.344900 0.498666 0.900663 K\n0.483590 0.922550 0.260245 Sr\n0.983590 0.077450 0.239755 Sr\n0.516410 0.077450 0.739755 Sr\n0.016410 0.922550 0.760245 Sr\n0.715958 0.060928 0.061520 B\n0.006523 0.615775 0.193808 B\n0.783837 0.535568 0.327262 B\n0.284042 0.939072 0.938480 B\n0.778679 0.192496 0.896715 B\n0.493477 0.615775 0.693808 B\n0.197565 0.167344 0.565233 B\n0.506523 0.384225 0.306192 B\n0.302435 0.167344 0.065233 B\n0.721321 0.192496 0.396715 B\n0.221321 0.807504 0.103285 B\n0.216163 0.464432 0.672738 B\n0.215958 0.939072 0.438480 B\n0.283837 0.464432 0.172738 B\n0.697565 0.832656 0.934767 B\n0.802435 0.832656 0.434767 B\n0.278679 0.807504 0.603285 B\n0.784042 0.060928 0.561520 B\n0.716163 0.535568 0.827262 B\n0.993477 0.384225 0.806192 B\n0.398822 0.444327 0.697162 O\n0.296384 0.910065 0.846997 O\n0.762959 0.982561 0.369263 O\n0.548106 0.221543 0.363417 O\n0.325515 0.126635 0.972725 O\n0.174485 0.126635 0.472725 O\n0.951894 0.221543 0.863417 O\n0.767701 0.208219 0.997085 O\n0.821407 0.639859 0.413130 O\n0.203616 0.910065 0.346997 O\n0.831938 0.328015 0.342437 O\n0.232299 0.791781 0.002915 O\n0.703616 0.089935 0.153003 O\n0.732299 0.208219 0.497085 O\n0.825515 0.873365 0.527275 O\n0.678593 0.639859 0.913130 O\n0.237041 0.017439 0.630737 O\n0.331938 0.671985 0.157563 O\n0.898822 0.555673 0.802838 O\n0.796384 0.089935 0.653003 O\n0.178593 0.360141 0.586870 O\n0.674485 0.873365 0.027275 O\n0.321407 0.360141 0.086870 O\n0.668062 0.328015 0.842437 O\n0.601178 0.555673 0.302838 O\n0.868214 0.638026 0.247110 O\n0.048106 0.778457 0.136583 O\n0.101178 0.444327 0.197162 O\n0.131786 0.361974 0.752890 O\n0.631786 0.638026 0.747110 O\n0.368214 0.361974 0.252890 O\n0.737041 0.982561 0.869263 O\n0.267701 0.791781 0.502915 O\n0.168062 0.671985 0.657563 O\n0.262959 0.017439 0.130737 O\n0.451894 0.778457 0.636583 O\n","nsites":64,"nelements":4,"elements":["K","Sr","B","O"],"chemical_system":"B-K-O-Sr","density":2.7552835680606567,"density_atomic":0.08174554436598148,"volume":782.9172892098775,"volume_molar":7.3669345610304875,"formula_full":"K4 Sr4 B20 O36","formula_reduced":"KSrB5O9","formula_anonymous":"ABC5D9","energy":-512.29056919,"energy_per_atom":-8.00454014359375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-487.55856919,"band_gap":5.078600000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003109,"is_theoretical":false,"updated_at":"2021-11-28T01:36:48.269000Z","spacegroup":14},{"id":"mp-780200","created_at":"2022-09-04T14:40:40.278343Z","structure_string":"Li4 Fe4 P4 H8 O20\n1.0\n7.901222 0.000000 0.000000\n0.000000 5.573520 0.000000\n0.000000 0.992996 9.622170\nLi Fe P H O\n4 4 4 8 20\ndirect\n0.467888 0.448815 0.351378 Li\n0.032112 0.948815 0.351378 Li\n0.967888 0.051185 0.648622 Li\n0.532112 0.551185 0.648622 Li\n0.195938 0.209802 0.017136 Fe\n0.304062 0.709802 0.017136 Fe\n0.695938 0.290198 0.982864 Fe\n0.804062 0.790198 0.982864 Fe\n0.525368 0.017858 0.198890 P\n0.974632 0.517858 0.198890 P\n0.025368 0.482142 0.801110 P\n0.474632 0.982142 0.801110 P\n0.741316 0.128237 0.417720 H\n0.896210 0.304186 0.436436 H\n0.758684 0.628237 0.417720 H\n0.603790 0.804186 0.436436 H\n0.396210 0.195814 0.563564 H\n0.241316 0.371763 0.582280 H\n0.103790 0.695814 0.563564 H\n0.258684 0.871763 0.582280 H\n0.444680 0.232290 0.101782 O\n0.055320 0.732290 0.101782 O\n0.795555 0.484214 0.132262 O\n0.704445 0.984214 0.132262 O\n0.081945 0.282888 0.198000 O\n0.418055 0.782888 0.198000 O\n0.544431 0.093564 0.346612 O\n0.955569 0.593564 0.346612 O\n0.857820 0.134014 0.457347 O\n0.642180 0.634014 0.457347 O\n0.357820 0.365986 0.542653 O\n0.142180 0.865986 0.542653 O\n0.044431 0.406436 0.653388 O\n0.455569 0.906436 0.653388 O\n0.581945 0.217112 0.802000 O\n0.918055 0.717112 0.802000 O\n0.295555 0.015786 0.867738 O\n0.204445 0.515786 0.867738 O\n0.944680 0.267710 0.898218 O\n0.555320 0.767710 0.898218 O\n","nsites":40,"nelements":5,"elements":["Li","Fe","P","H","O"],"chemical_system":"Fe-H-Li-O-P","density":2.755265889421657,"density_atomic":0.09439807488959437,"volume":423.7374548875388,"volume_molar":6.379516496542271,"formula_full":"Li4 Fe4 P4 H8 O20","formula_reduced":"LiFePH2O5","formula_anonymous":"ABCD2E5","energy":-271.0621009,"energy_per_atom":-6.7765525225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-248.2981009,"band_gap":3.6175,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0000163,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.934000Z","spacegroup":14},{"id":"mp-689967","created_at":"2022-09-04T14:43:24.313788Z","structure_string":"Li1 Mn1 P4 O12\n1.0\n-4.939950 0.000000 0.000000\n2.442751 6.676227 0.000000\n-0.917770 -2.866715 -6.903298\nLi Mn P O\n1 1 4 12\ndirect\n0.040360 0.724846 0.548206 Li\n0.998555 0.004649 0.004432 Mn\n0.561905 0.198929 0.791729 P\n0.438922 0.800822 0.206363 P\n0.564648 0.398380 0.214378 P\n0.434549 0.603326 0.785028 P\n0.246236 0.563931 0.628238 O\n0.535948 0.610765 0.205952 O\n0.758758 0.457270 0.375115 O\n0.744095 0.765064 0.801576 O\n0.717842 0.305655 0.006597 O\n0.227860 0.858761 0.356678 O\n0.281180 0.695660 0.992784 O\n0.274732 0.025058 0.804719 O\n0.767301 0.127118 0.644553 O\n0.462390 0.388435 0.787316 O\n0.715983 0.978504 0.196267 O\n0.263203 0.233828 0.199362 O\n","nsites":18,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":2.75526085694345,"density_atomic":0.07906098772445444,"volume":227.6723390142064,"volume_molar":7.61708262612217,"formula_full":"Li1 Mn1 P4 O12","formula_reduced":"LiMn(PO3)4","formula_anonymous":"ABC4D12","energy":-136.81029509,"energy_per_atom":-7.600571949444445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-126.89829509,"band_gap":1.2134,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9990301,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.615000Z","spacegroup":1},{"id":"mp-758534","created_at":"2022-09-04T14:42:07.023219Z","structure_string":"Li4 Fe4 P16 O48\n1.0\n13.157971 0.000000 0.000000\n0.000000 7.281173 0.000000\n0.000000 6.908378 9.528475\nLi Fe P O\n4 4 16 48\ndirect\n0.200460 0.944400 0.026912 Li\n0.700460 0.055600 0.473088 Li\n0.299540 0.944400 0.526912 Li\n0.799540 0.055600 0.973088 Li\n0.290405 0.545360 0.437806 Fe\n0.790405 0.454640 0.062194 Fe\n0.209595 0.545360 0.937806 Fe\n0.709595 0.454640 0.562194 Fe\n0.618315 0.819134 0.259583 P\n0.130257 0.419217 0.693343 P\n0.911978 0.458288 0.707481 P\n0.899688 0.069010 0.221971 P\n0.399688 0.930990 0.278029 P\n0.411978 0.541712 0.792519 P\n0.630257 0.580783 0.806657 P\n0.118315 0.180866 0.240417 P\n0.881685 0.819134 0.759583 P\n0.369743 0.419217 0.193343 P\n0.588022 0.458288 0.207481 P\n0.600312 0.069010 0.721971 P\n0.100312 0.930990 0.778029 P\n0.088022 0.541712 0.292519 P\n0.869743 0.580783 0.306657 P\n0.381685 0.180866 0.740417 P\n0.877614 0.811437 0.295316 O\n0.901780 0.212868 0.821005 O\n0.416097 0.401145 0.728457 O\n0.326822 0.830643 0.226740 O\n0.692026 0.963840 0.144922 O\n0.144573 0.369002 0.835098 O\n0.645079 0.730940 0.409731 O\n0.889655 0.217954 0.062668 O\n0.512005 0.952385 0.221752 O\n0.020575 0.528949 0.627266 O\n0.208320 0.564976 0.579985 O\n0.334314 0.434584 0.910528 O\n0.834314 0.565416 0.589472 O\n0.012005 0.047615 0.278248 O\n0.708320 0.435024 0.920015 O\n0.389655 0.782046 0.437332 O\n0.520575 0.471051 0.872734 O\n0.145079 0.269060 0.090269 O\n0.644573 0.630998 0.664902 O\n0.192026 0.036160 0.355078 O\n0.826822 0.169357 0.273260 O\n0.916097 0.598855 0.771543 O\n0.377614 0.188563 0.204684 O\n0.401780 0.787132 0.678995 O\n0.598220 0.212868 0.321005 O\n0.622386 0.811437 0.795316 O\n0.083903 0.401145 0.228457 O\n0.173178 0.830643 0.726740 O\n0.807974 0.963840 0.644922 O\n0.355427 0.369002 0.335098 O\n0.854921 0.730940 0.909731 O\n0.479425 0.528949 0.127266 O\n0.610345 0.217954 0.562668 O\n0.291680 0.564976 0.079985 O\n0.987995 0.952385 0.721752 O\n0.165686 0.434584 0.410528 O\n0.665686 0.565416 0.089472 O\n0.791680 0.435024 0.420015 O\n0.979425 0.471051 0.372734 O\n0.487995 0.047615 0.778248 O\n0.110345 0.782046 0.937332 O\n0.354921 0.269060 0.590269 O\n0.855427 0.630998 0.164902 O\n0.307974 0.036160 0.855078 O\n0.673178 0.169357 0.773260 O\n0.583903 0.598855 0.271543 O\n0.098220 0.787132 0.178995 O\n0.122386 0.188563 0.704684 O\n","nsites":72,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":2.755248204027555,"density_atomic":0.0788712679583441,"volume":912.8799607738885,"volume_molar":7.635405028838381,"formula_full":"Li4 Fe4 P16 O48","formula_reduced":"LiFe(PO3)4","formula_anonymous":"ABC4D12","energy":-542.1880821,"energy_per_atom":-7.530390029166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-500.1880821,"band_gap":2.5387000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9998625,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.643000Z","spacegroup":14},{"id":"mp-1028282","created_at":"2022-09-04T14:43:51.677615Z","structure_string":"Mg14 V1 Bi1\n1.0\n6.329880 0.000000 -0.000000\n-3.164940 5.481836 0.000000\n0.000000 0.000000 10.424643\nMg V Bi\n14 1 1\ndirect\n0.166530 0.833264 0.125000 Mg\n0.165544 0.832771 0.625000 Mg\n0.666736 0.333470 0.125000 Mg\n0.667229 0.334456 0.625000 Mg\n0.666736 0.833264 0.125000 Mg\n0.667229 0.832771 0.625000 Mg\n0.332375 0.167625 0.365367 Mg\n0.332375 0.167625 0.884633 Mg\n0.332375 0.664752 0.365367 Mg\n0.332375 0.664752 0.884633 Mg\n0.835248 0.167625 0.365367 Mg\n0.835248 0.167625 0.884633 Mg\n0.833333 0.666667 0.374714 Mg\n0.833333 0.666667 0.875286 Mg\n0.166667 0.333333 0.125000 V\n0.166667 0.333333 0.625000 Bi\n","nsites":16,"nelements":3,"elements":["Mg","V","Bi"],"chemical_system":"Bi-Mg-V","density":2.7552215134063047,"density_atomic":0.044232071201086055,"volume":361.7284826491947,"volume_molar":13.614873996341675,"formula_full":"Mg14 V1 Bi1","formula_reduced":"Mg14VBi","formula_anonymous":"ABC14","energy":-34.39019319,"energy_per_atom":-2.149387074375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.39019319,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.7702267,"is_theoretical":true,"updated_at":"2021-11-28T01:36:19.547000Z","spacegroup":187},{"id":"mp-1209187","created_at":"2022-09-04T14:39:09.492555Z","structure_string":"Rb1 Sc1 S2 O8\n1.0\n2.529818 -4.381772 0.000000\n2.529818 4.381772 0.000000\n0.000000 0.000000 8.768509\nRb Sc S O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.333333 0.666667 0.210598 S\n0.666667 0.333333 0.789402 S\n0.095961 0.361742 0.151378 O\n0.638258 0.734219 0.151378 O\n0.361742 0.095961 0.848622 O\n0.265781 0.904039 0.151378 O\n0.734219 0.638258 0.848622 O\n0.904039 0.265781 0.848622 O\n0.333333 0.666667 0.376825 O\n0.666667 0.333333 0.623175 O\n","nsites":12,"nelements":4,"elements":["Rb","Sc","S","O"],"chemical_system":"O-Rb-S-Sc","density":2.755179363365376,"density_atomic":0.06172860239305604,"volume":194.39934705778956,"volume_molar":9.755835263617506,"formula_full":"Rb1 Sc1 S2 O8","formula_reduced":"RbSc(SO4)2","formula_anonymous":"ABC2D8","energy":-85.09512819999999,"energy_per_atom":-7.091260683333332,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.5991282,"band_gap":4.2794,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000964,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.824000Z","spacegroup":150},{"id":"mp-1014316","created_at":"2022-09-04T14:40:17.145556Z","structure_string":"C3 N1\n1.0\n3.112694 0.000000 0.000000\n0.000000 3.112694 0.000000\n0.000000 0.000000 3.112694\nC N\n3 1\ndirect\n0.500000 0.500000 0.000000 C\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.500000 C\n0.000000 0.000000 0.000000 N\n","nsites":4,"nelements":2,"elements":["C","N"],"chemical_system":"C-N","density":2.755159196658795,"density_atomic":0.13263272903604093,"volume":30.158468645495947,"volume_molar":4.540463582230578,"formula_full":"C3 N1","formula_reduced":"C3N","formula_anonymous":"AB3","energy":-18.40675577,"energy_per_atom":-4.6016889425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.04575577,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.61e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.139000Z","spacegroup":221}]}