{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=created_at&page=10177","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=created_at&page=10175","results":[{"id":"mp-1045600","created_at":"2022-09-04T14:46:58.106677Z","structure_string":"Ti4 Al1 Cu3 O12\n1.0\n-3.715503 3.715503 3.715503\n3.715503 -3.715503 3.715503\n3.715503 3.715503 -3.715503\nTi Al Cu O\n4 1 3 12\ndirect\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.294792 0.826584 0.121375 O\n0.705208 0.173416 0.878625 O\n0.705208 0.826584 0.531792 O\n0.878625 0.705208 0.173416 O\n0.826584 0.121375 0.294792 O\n0.173416 0.468208 0.294792 O\n0.468208 0.294792 0.173416 O\n0.173416 0.878625 0.705208 O\n0.294792 0.173416 0.468208 O\n0.121375 0.294792 0.826584 O\n0.826584 0.531792 0.705208 O\n0.531792 0.705208 0.826584 O\n","nsites":20,"nelements":4,"elements":["Ti","Al","Cu","O"],"chemical_system":"Al-Cu-O-Ti","density":4.864842445422688,"density_atomic":0.09748036696698029,"volume":205.16951897375026,"volume_molar":6.177798614607075,"formula_full":"Ti4 Al1 Cu3 O12","formula_reduced":"Ti4Al(CuO4)3","formula_anonymous":"AB3C4D12","energy":-156.34971393,"energy_per_atom":-7.8174856965,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.10571393,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9718474,"is_theoretical":true,"updated_at":"2021-11-28T01:37:52.191000Z","spacegroup":204},{"id":"mp-532704","created_at":"2022-09-04T14:46:58.108902Z","structure_string":"K16 Y8 Hf8 P24 O96\n1.0\n10.470778 0.000000 0.000000\n-0.000355 10.476526 0.000000\n-0.002405 -0.025639 20.977986\nK Y Hf P O\n16 8 8 24 96\ndirect\n0.079661 0.564999 0.712753 K\n0.072060 0.573956 0.214523 K\n0.194534 0.197258 0.851791 K\n0.199221 0.201990 0.350950 K\n0.289678 0.807035 0.098418 K\n0.310750 0.799477 0.596890 K\n0.427886 0.419785 0.965287 K\n0.429521 0.430662 0.472528 K\n0.567373 0.938549 0.784036 K\n0.566670 0.918484 0.284287 K\n0.691953 0.300127 0.652702 K\n0.705729 0.300570 0.146509 K\n0.795533 0.694623 0.399320 K\n0.804900 0.705248 0.906303 K\n0.930744 0.070451 0.539850 K\n0.939557 0.066747 0.034737 K\n0.080093 0.412981 0.542860 Y\n0.084839 0.418978 0.041831 Y\n0.146737 0.848490 0.923444 Y\n0.350028 0.149896 0.674981 Y\n0.417302 0.580637 0.292358 Y\n0.581663 0.081856 0.958167 Y\n0.650009 0.651717 0.574091 Y\n0.914164 0.917605 0.210118 Y\n0.145817 0.859419 0.426958 Hf\n0.356830 0.144458 0.179721 Hf\n0.413906 0.586677 0.793205 Hf\n0.588331 0.084161 0.458715 Hf\n0.645763 0.641940 0.071872 Hf\n0.856879 0.354131 0.322753 Hf\n0.852024 0.357769 0.821903 Hf\n0.916904 0.911297 0.706022 Hf\n0.028592 0.228451 0.690403 P\n0.044217 0.238955 0.191112 P\n0.125366 0.529503 0.877345 P\n0.118035 0.545392 0.383878 P\n0.231200 0.871478 0.764675 P\n0.236724 0.877044 0.269575 P\n0.273449 0.124087 0.514102 P\n0.262789 0.120685 0.024026 P\n0.382141 0.456734 0.131905 P\n0.373936 0.469811 0.635546 P\n0.461611 0.756687 0.938913 P\n0.462505 0.774636 0.436427 P\n0.534109 0.277010 0.814348 P\n0.544098 0.257675 0.314174 P\n0.631446 0.971483 0.616706 P\n0.617833 0.954755 0.117695 P\n0.729913 0.626530 0.734957 P\n0.740381 0.616251 0.228675 P\n0.768509 0.374882 0.980797 P\n0.761920 0.371380 0.477848 P\n0.873231 0.039318 0.371129 P\n0.871817 0.039720 0.860850 P\n0.967356 0.742020 0.560791 P\n0.956928 0.737264 0.062828 P\n0.992794 0.084672 0.683605 O\n0.989234 0.106854 0.175409 O\n0.025661 0.437876 0.845607 O\n0.003043 0.470142 0.354686 O\n0.011272 0.291466 0.624867 O\n0.024211 0.332115 0.135761 O\n0.061396 0.807048 0.512736 O\n0.022978 0.787983 0.002615 O\n0.073050 0.666732 0.875938 O\n0.077571 0.689391 0.387759 O\n0.090721 0.844474 0.742868 O\n0.103347 0.845903 0.244145 O\n0.156009 0.483606 0.944979 O\n0.149549 0.494788 0.450463 O\n0.165997 0.238333 0.716146 O\n0.188586 0.231974 0.210072 O\n0.206161 0.003310 0.989995 O\n0.207935 0.027264 0.468058 O\n0.204607 0.252530 0.506484 O\n0.174301 0.234689 0.010698 O\n0.233251 0.928028 0.832466 O\n0.228621 0.915824 0.341406 O\n0.238136 0.482535 0.607768 O\n0.271018 0.472715 0.085169 O\n0.247568 0.518509 0.835294 O\n0.231785 0.528380 0.338457 O\n0.268544 0.071825 0.582473 O\n0.264291 0.090958 0.097234 O\n0.305910 0.742308 0.763887 O\n0.327960 0.764698 0.259071 O\n0.298840 0.960144 0.717227 O\n0.294452 0.993396 0.233380 O\n0.324786 0.755248 0.965548 O\n0.317547 0.778101 0.454095 O\n0.367811 0.509371 0.707339 O\n0.348358 0.511061 0.197574 O\n0.398584 0.149170 0.000562 O\n0.414889 0.142640 0.492912 O\n0.423265 0.331482 0.630019 O\n0.422719 0.313500 0.137980 O\n0.455462 0.209899 0.762583 O\n0.467202 0.196675 0.258352 O\n0.467524 0.672821 0.877584 O\n0.485162 0.701925 0.373986 O\n0.497069 0.530069 0.102107 O\n0.463367 0.561100 0.599589 O\n0.507668 0.891688 0.922518 O\n0.511939 0.913772 0.428361 O\n0.492170 0.418337 0.823095 O\n0.486794 0.387911 0.331801 O\n0.542958 0.065523 0.651311 O\n0.502617 0.030704 0.146120 O\n0.512496 0.206483 0.877421 O\n0.534168 0.164146 0.371296 O\n0.553513 0.693042 0.988043 O\n0.535690 0.708026 0.489862 O\n0.578177 0.834890 0.618617 O\n0.575161 0.811708 0.111493 O\n0.593155 0.655729 0.760211 O\n0.606990 0.645598 0.254690 O\n0.655439 0.008958 0.052399 O\n0.651777 0.015698 0.546218 O\n0.677977 0.278885 0.794254 O\n0.686257 0.267559 0.292850 O\n0.702461 0.480421 0.516702 O\n0.712918 0.488683 0.019755 O\n0.677254 0.262052 0.989456 O\n0.670143 0.254980 0.483963 O\n0.726383 0.569500 0.667476 O\n0.733518 0.581186 0.156474 O\n0.744166 0.018133 0.895149 O\n0.759899 0.027389 0.418277 O\n0.763774 0.976630 0.651182 O\n0.727348 0.968519 0.165810 O\n0.777454 0.417520 0.909387 O\n0.766634 0.411709 0.406122 O\n0.808983 0.752595 0.735457 O\n0.832189 0.728129 0.239859 O\n0.798134 0.532025 0.781165 O\n0.797635 0.498675 0.264404 O\n0.830307 0.748649 0.534358 O\n0.810975 0.732066 0.046902 O\n0.836341 0.984089 0.306156 O\n0.857912 0.988836 0.791298 O\n0.901175 0.339523 0.005924 O\n0.895132 0.334987 0.502153 O\n0.915543 0.181433 0.366274 O\n0.907023 0.184554 0.859174 O\n0.933469 0.296688 0.736872 O\n0.973188 0.294263 0.250476 O\n0.978907 0.821294 0.623609 O\n0.980599 0.831590 0.117812 O\n0.979014 0.969217 0.895914 O\n0.983942 0.960461 0.401091 O\n0.006908 0.604130 0.574965 O\n0.008021 0.604160 0.080283 O\n","nsites":152,"nelements":5,"elements":["K","Y","Hf","P","O"],"chemical_system":"Hf-K-O-P-Y","density":3.6397255656183862,"density_atomic":0.06605163156286233,"volume":2301.230059023437,"volume_molar":9.117323247751479,"formula_full":"K16 Y8 Hf8 P24 O96","formula_reduced":"K2YHf(PO4)3","formula_anonymous":"ABC2D3E12","energy":-1241.8260885300003,"energy_per_atom":-8.169908477171054,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1175.87408853,"band_gap":4.7808,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005521,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.077000Z","spacegroup":1},{"id":"mp-534","created_at":"2022-09-04T14:46:58.109768Z","structure_string":"B13 N2\n1.0\n4.430419 -2.745655 0.000000\n4.430419 2.745655 0.000000\n2.728861 0.000000 4.440783\nB N\n13 2\ndirect\n0.680259 0.196775 0.196775 B\n0.196775 0.196775 0.680259 B\n0.196775 0.680259 0.196775 B\n0.803225 0.319741 0.803225 B\n0.319741 0.803225 0.803225 B\n0.803225 0.803225 0.319741 B\n0.669108 0.995418 0.995418 B\n0.995418 0.995418 0.669108 B\n0.995418 0.669108 0.995418 B\n0.004582 0.330892 0.004582 B\n0.330892 0.004582 0.004582 B\n0.004582 0.004582 0.330892 B\n0.500000 0.500000 0.500000 B\n0.615145 0.615145 0.615145 N\n0.384855 0.384855 0.384855 N\n","nsites":15,"nelements":2,"elements":["B","N"],"chemical_system":"B-N","density":2.590681538850435,"density_atomic":0.13883882988141286,"volume":108.03893991912801,"volume_molar":4.3375046916944795,"formula_full":"B13 N2","formula_reduced":"B13N2","formula_anonymous":"A2B13","energy":-107.3181966,"energy_per_atom":-7.15454644,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-106.5961966,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9997988,"is_theoretical":false,"updated_at":"2021-11-28T01:37:45.159000Z","spacegroup":166},{"id":"mp-1210913","created_at":"2022-09-04T14:46:58.109900Z","structure_string":"Li8 Ni4 Ge4 O16\n1.0\n0.000000 0.000000 -5.054775\n0.000000 -6.470747 0.000000\n-11.004249 0.000000 0.000000\nLi Ni Ge O\n8 4 4 16\ndirect\n0.821733 0.001570 0.911657 Li\n0.178267 0.998430 0.088343 Li\n0.321733 0.998430 0.588343 Li\n0.178267 0.501570 0.088343 Li\n0.678267 0.001570 0.411657 Li\n0.821733 0.498430 0.911657 Li\n0.678267 0.498430 0.411657 Li\n0.321733 0.501570 0.588343 Li\n0.819195 0.750000 0.662909 Ni\n0.180805 0.250000 0.337091 Ni\n0.319195 0.250000 0.837091 Ni\n0.680805 0.750000 0.162909 Ni\n0.329130 0.750000 0.835378 Ge\n0.670870 0.250000 0.164622 Ge\n0.829130 0.250000 0.664622 Ge\n0.170870 0.750000 0.335378 Ge\n0.719692 0.478340 0.590515 O\n0.280308 0.521660 0.409484 O\n0.219692 0.521660 0.909485 O\n0.280308 0.978340 0.409484 O\n0.780308 0.478340 0.090515 O\n0.719692 0.021660 0.590515 O\n0.780308 0.021660 0.090515 O\n0.219692 0.978340 0.909485 O\n0.213554 0.750000 0.681823 O\n0.786446 0.250000 0.318177 O\n0.713554 0.250000 0.818177 O\n0.286446 0.750000 0.181823 O\n0.682956 0.750000 0.833442 O\n0.317044 0.250000 0.166558 O\n0.182956 0.250000 0.666558 O\n0.817044 0.750000 0.333442 O\n","nsites":32,"nelements":4,"elements":["Li","Ni","Ge","O"],"chemical_system":"Ge-Li-Ni-O","density":3.86083372699247,"density_atomic":0.08890646054667325,"volume":359.92884885121424,"volume_molar":6.7735693480211765,"formula_full":"Li8 Ni4 Ge4 O16","formula_reduced":"Li2NiGeO4","formula_anonymous":"ABC2D4","energy":-200.88183932,"energy_per_atom":-6.27755747875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-179.72583932,"band_gap":2.9925,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.0007247,"is_theoretical":true,"updated_at":"2021-11-28T01:37:46.614000Z","spacegroup":62},{"id":"mp-1047361","created_at":"2022-09-04T14:46:58.111934Z","structure_string":"Ba2 Y1 Ti3 O8\n1.0\n3.992508 0.000000 0.000000\n0.000000 3.992508 0.000000\n0.000000 0.000000 11.584824\nBa Y Ti O\n2 1 3 8\ndirect\n0.500000 0.500000 0.169940 Ba\n0.500000 0.500000 0.830060 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.352179 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.647821 Ti\n0.000000 0.500000 0.372166 O\n0.500000 0.000000 0.372166 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.183546 O\n0.000000 0.500000 0.627834 O\n0.500000 0.000000 0.627834 O\n0.000000 0.000000 0.816454 O\n0.000000 0.500000 0.000000 O\n","nsites":14,"nelements":4,"elements":["Ba","Y","Ti","O"],"chemical_system":"Ba-O-Ti-Y","density":5.711477974640458,"density_atomic":0.07581358006734751,"volume":184.66348624564853,"volume_molar":7.943353624311568,"formula_full":"Ba2 Y1 Ti3 O8","formula_reduced":"Ba2YTi3O8","formula_anonymous":"AB2C3D8","energy":-121.17454085,"energy_per_atom":-8.655324346428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-115.67854085000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0042986,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.629000Z","spacegroup":123},{"id":"mp-998156","created_at":"2022-09-04T14:46:58.116418Z","structure_string":"Rb1 Sn1 Cl3\n1.0\n3.960248 3.957567 0.000000\n-3.960248 3.957567 0.000000\n0.000000 0.082460 5.612300\nRb Sn Cl\n1 1 3\ndirect\n0.009667 0.009667 0.018062 Rb\n0.491213 0.491213 0.479390 Sn\n0.495323 0.495323 0.992469 Cl\n0.990958 0.485430 0.475227 Cl\n0.485430 0.990958 0.475227 Cl\n","nsites":5,"nelements":3,"elements":["Rb","Sn","Cl"],"chemical_system":"Cl-Rb-Sn","density":2.931167509622487,"density_atomic":0.028421596635544315,"volume":175.92255861329596,"volume_molar":21.188608216572376,"formula_full":"Rb1 Sn1 Cl3","formula_reduced":"RbSnCl3","formula_anonymous":"ABC3","energy":-19.3359703,"energy_per_atom":-3.86719406,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.4939703,"band_gap":0.9861,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0020158,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.258000Z","spacegroup":8},{"id":"mp-8655","created_at":"2022-09-04T14:46:58.117870Z","structure_string":"Sm2 Si2 Ru2\n1.0\n4.226454 0.000000 0.000000\n0.000000 4.226454 0.000000\n0.000000 0.000000 6.796044\nSm Si Ru\n2 2 2\ndirect\n0.500000 0.000000 0.679023 Sm\n0.000000 0.500000 0.320977 Sm\n0.500000 0.000000 0.179666 Si\n0.000000 0.500000 0.820334 Si\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.000000 Ru\n","nsites":6,"nelements":3,"elements":["Sm","Si","Ru"],"chemical_system":"Ru-Si-Sm","density":7.646743347083611,"density_atomic":0.04942455585573414,"volume":121.3971455305226,"volume_molar":12.1845116374502,"formula_full":"Sm2 Si2 Ru2","formula_reduced":"SmSiRu","formula_anonymous":"ABC","energy":-43.483891,"energy_per_atom":-7.247315166666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.625891,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000137,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.187000Z","spacegroup":129},{"id":"mp-776200","created_at":"2022-09-04T14:46:58.120108Z","structure_string":"Gd2 As2 O8\n1.0\n-3.619130 3.619130 3.214916\n3.619130 -3.619130 3.214916\n3.619130 3.619130 -3.214916\nGd As O\n2 2 8\ndirect\n0.250000 0.750000 0.500000 Gd\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.000000 As\n0.750000 0.250000 0.500000 As\n0.493818 0.674261 0.819558 O\n0.325739 0.506182 0.180442 O\n0.325739 0.145297 0.819558 O\n0.854703 0.674261 0.180442 O\n0.395297 0.075739 0.319558 O\n0.924261 0.604703 0.680442 O\n0.924261 0.243818 0.319558 O\n0.756182 0.075739 0.680442 O\n","nsites":12,"nelements":3,"elements":["Gd","As","O"],"chemical_system":"As-Gd-O","density":5.83957172794869,"density_atomic":0.07124317370471266,"volume":168.4371902034765,"volume_molar":8.452937238535238,"formula_full":"Gd2 As2 O8","formula_reduced":"GdAsO4","formula_anonymous":"ABC4","energy":-110.74288095,"energy_per_atom":-9.2285734125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.24688095000002,"band_gap":3.4222,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9960103,"is_theoretical":true,"updated_at":"2021-11-28T01:37:45.711000Z","spacegroup":141},{"id":"mp-580941","created_at":"2022-09-04T14:46:58.129682Z","structure_string":"Ag4 I4\n1.0\n2.424317 -4.199040 0.000000\n2.424317 4.199040 0.000000\n0.000000 0.000000 14.487235\nAg I\n4 4\ndirect\n0.000000 0.000000 0.268453 Ag\n0.666667 0.333333 0.470335 Ag\n0.333333 0.666667 0.970335 Ag\n0.000000 0.000000 0.768453 Ag\n0.000000 0.000000 0.006254 I\n0.666667 0.333333 0.254958 I\n0.333333 0.666667 0.754958 I\n0.000000 0.000000 0.506254 I\n","nsites":8,"nelements":2,"elements":["Ag","I"],"chemical_system":"Ag-I","density":5.286907458662272,"density_atomic":0.027122834111960977,"volume":294.9544272171785,"volume_molar":22.203213481087797,"formula_full":"Ag4 I4","formula_reduced":"AgI","formula_anonymous":"AB","energy":-20.8117399,"energy_per_atom":-2.6014674875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.2957399,"band_gap":1.3759,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":6.78e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:48.778000Z","spacegroup":186},{"id":"mp-13160","created_at":"2022-09-04T14:46:58.137019Z","structure_string":"Y4 Zn4 Ge4\n1.0\n2.121453 -3.674465 0.000000\n2.121453 3.674465 0.000000\n0.000000 0.000000 15.794670\nY Zn Ge\n4 4 4\ndirect\n0.000000 0.000000 0.750000 Y\n0.000000 0.000000 0.250000 Y\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.666667 0.333333 0.852659 Zn\n0.666667 0.333333 0.647341 Zn\n0.333333 0.666667 0.147341 Zn\n0.333333 0.666667 0.352659 Zn\n0.666667 0.333333 0.113645 Ge\n0.666667 0.333333 0.386355 Ge\n0.333333 0.666667 0.886355 Ge\n0.333333 0.666667 0.613645 Ge\n","nsites":12,"nelements":3,"elements":["Y","Zn","Ge"],"chemical_system":"Ge-Y-Zn","density":6.12181885981229,"density_atomic":0.04873187979074151,"volume":246.2453747224391,"volume_molar":12.357702567312286,"formula_full":"Y4 Zn4 Ge4","formula_reduced":"YZnGe","formula_anonymous":"ABC","energy":-57.62075180000001,"energy_per_atom":-4.801729316666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-57.62075180000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005701,"is_theoretical":false,"updated_at":"2021-11-28T01:37:45.570000Z","spacegroup":194},{"id":"mp-1349418","created_at":"2022-09-04T14:46:58.138206Z","structure_string":"Mg4 Mo12 O28\n1.0\n5.765112 0.000000 0.000000\n0.000000 9.952709 0.000000\n0.000000 0.000000 11.030421\nMg Mo O\n4 12 28\ndirect\n0.377935 0.066539 0.250000 Mg\n0.877935 0.433461 0.750000 Mg\n0.622065 0.933461 0.750000 Mg\n0.122065 0.566539 0.250000 Mg\n0.697159 0.672843 0.980195 Mo\n0.197159 0.827157 0.019805 Mo\n0.302841 0.327157 0.480195 Mo\n0.802841 0.172843 0.519805 Mo\n0.709429 0.795698 0.250000 Mo\n0.209429 0.704302 0.750000 Mo\n0.290571 0.204302 0.750000 Mo\n0.790571 0.295698 0.250000 Mo\n0.197159 0.827157 0.480195 Mo\n0.697159 0.672843 0.519805 Mo\n0.802841 0.172843 0.980195 Mo\n0.302841 0.327157 0.019805 Mo\n0.054444 0.277586 0.882567 O\n0.554444 0.222414 0.117433 O\n0.945556 0.722414 0.382567 O\n0.445556 0.777586 0.617433 O\n0.945556 0.722414 0.117433 O\n0.445556 0.777586 0.882567 O\n0.054444 0.277586 0.617433 O\n0.554444 0.222414 0.382567 O\n0.520277 0.254232 0.883273 O\n0.020277 0.245768 0.116727 O\n0.479723 0.745768 0.383273 O\n0.979723 0.754232 0.616727 O\n0.479723 0.745768 0.116727 O\n0.979723 0.754232 0.883273 O\n0.520277 0.254232 0.616727 O\n0.020277 0.245768 0.383273 O\n0.803998 0.480404 0.250000 O\n0.303998 0.019596 0.750000 O\n0.196002 0.519596 0.750000 O\n0.696002 0.980404 0.250000 O\n0.770094 0.013487 0.601151 O\n0.270094 0.486513 0.398849 O\n0.229906 0.986513 0.101151 O\n0.729906 0.513487 0.898849 O\n0.229906 0.986513 0.398849 O\n0.729906 0.513487 0.601151 O\n0.770094 0.013487 0.898849 O\n0.270094 0.486513 0.101151 O\n","nsites":44,"nelements":3,"elements":["Mg","Mo","O"],"chemical_system":"Mg-Mo-O","density":4.450999208911573,"density_atomic":0.06952028324188518,"volume":632.9088137760996,"volume_molar":8.662422647282497,"formula_full":"Mg4 Mo12 O28","formula_reduced":"MgMo3O7","formula_anonymous":"AB3C7","energy":-356.82550005,"energy_per_atom":-8.109670455681819,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-299.16550005,"band_gap":1.1033000000000004,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":23.9990597,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.430000Z","spacegroup":62},{"id":"mp-727928","created_at":"2022-09-04T14:46:58.138614Z","structure_string":"Sb16 Cl4 O42\n1.0\n2.973428 11.951833 0.000000\n-2.973428 11.951833 0.000000\n0.000000 14.061735 15.176991\nSb Cl O\n16 4 42\ndirect\n0.497039 0.862974 0.355199 Sb\n0.862974 0.497039 0.855199 Sb\n0.502961 0.137026 0.644801 Sb\n0.137026 0.502961 0.144801 Sb\n0.233412 0.663599 0.504327 Sb\n0.663599 0.233412 0.004327 Sb\n0.766588 0.336401 0.495673 Sb\n0.336401 0.766588 0.995673 Sb\n0.097314 0.723768 0.704237 Sb\n0.723768 0.097314 0.204237 Sb\n0.902686 0.276232 0.295763 Sb\n0.276232 0.902686 0.795763 Sb\n0.428164 0.986535 0.163139 Sb\n0.986535 0.428164 0.663139 Sb\n0.571836 0.013465 0.836861 Sb\n0.013465 0.571836 0.336861 Sb\n0.938472 0.322890 0.068729 Cl\n0.322890 0.938472 0.568729 Cl\n0.061528 0.677110 0.931271 Cl\n0.677110 0.061528 0.431271 Cl\n0.190769 0.458704 0.606179 O\n0.458704 0.190769 0.106179 O\n0.809231 0.541296 0.393821 O\n0.541296 0.809231 0.893821 O\n0.471358 0.652371 0.441464 O\n0.652371 0.471358 0.941464 O\n0.528642 0.347629 0.558536 O\n0.347629 0.528642 0.058536 O\n0.885861 0.707409 0.788612 O\n0.707409 0.885861 0.288612 O\n0.114139 0.292591 0.211388 O\n0.292591 0.114139 0.711388 O\n0.217660 0.958226 0.266197 O\n0.958226 0.217660 0.766197 O\n0.782340 0.041774 0.733803 O\n0.041774 0.782340 0.233803 O\n0.028575 0.840336 0.593753 O\n0.840336 0.028575 0.093753 O\n0.971425 0.159664 0.406247 O\n0.159664 0.971425 0.906247 O\n0.612517 0.783444 0.249471 O\n0.783444 0.612517 0.749471 O\n0.387483 0.216556 0.750529 O\n0.216556 0.387483 0.250529 O\n0.831788 0.297057 0.077401 O\n0.297057 0.831788 0.577401 O\n0.168212 0.702943 0.922599 O\n0.702943 0.168212 0.422599 O\n0.481087 0.914923 0.483023 O\n0.914923 0.481087 0.983023 O\n0.518913 0.085077 0.516977 O\n0.085077 0.518913 0.016977 O\n0.808493 0.428231 0.139236 O\n0.428231 0.808493 0.639236 O\n0.191507 0.571769 0.860764 O\n0.571769 0.191507 0.360764 O\n0.187575 0.091019 0.072288 O\n0.091019 0.187575 0.572288 O\n0.812425 0.908981 0.927712 O\n0.908981 0.812425 0.427712 O\n0.241583 0.758417 0.250000 O\n0.758417 0.241583 0.750000 O\n","nsites":62,"nelements":3,"elements":["Sb","Cl","O"],"chemical_system":"Cl-O-Sb","density":4.25164300522147,"density_atomic":0.05747567419288454,"volume":1078.7172289955595,"volume_molar":10.477720956852277,"formula_full":"Sb16 Cl4 O42","formula_reduced":"Sb8Cl2O21","formula_anonymous":"A2B8C21","energy":-353.56387849,"energy_per_atom":-5.702643201451613,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-324.70987849,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9685951,"is_theoretical":false,"updated_at":"2021-11-28T01:37:46.555000Z","spacegroup":15}]}