{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=52","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=50","results":[{"id":"mp-10110","created_at":"2022-09-04T14:48:29.680777Z","structure_string":"Si1 Rh1\n1.0\n2.983008 0.000000 0.000000\n0.000000 2.983008 0.000000\n0.000000 0.000000 2.983008\nSi Rh\n1 1\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Rh\n","nsites":2,"nelements":2,"elements":["Si","Rh"],"chemical_system":"Rh-Si","density":8.194591348028679,"density_atomic":0.07534713466659664,"volume":26.54380964650873,"volume_molar":7.9925278998960705,"formula_full":"Si1 Rh1","formula_reduced":"SiRh","formula_anonymous":"AB","energy":-13.78235336,"energy_per_atom":-6.89117668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.85335336,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029254,"is_theoretical":false,"updated_at":"2021-11-28T01:39:54.775000Z","spacegroup":221},{"id":"mp-1216773","created_at":"2022-09-04T14:48:30.884189Z","structure_string":"Zr8 Ni61 B18\n1.0\n3.760228 -6.512906 0.000000\n3.760228 6.512906 0.000000\n0.000000 0.000000 18.532538\nZr Ni B\n8 61 18\ndirect\n0.000000 0.000000 0.249220 Zr\n0.333333 0.666667 0.917295 Zr\n0.666667 0.333333 0.583320 Zr\n0.666667 0.333333 0.082705 Zr\n0.000000 0.000000 0.750780 Zr\n0.333333 0.666667 0.416680 Zr\n0.333333 0.666667 0.667938 Zr\n0.666667 0.333333 0.332062 Zr\n0.010033 0.676718 0.333077 Ni\n0.338405 0.338405 0.000000 Ni\n0.676718 0.010033 0.666923 Ni\n0.783235 0.566470 0.215939 Ni\n0.110931 0.221861 0.889629 Ni\n0.448284 0.896569 0.552187 Ni\n0.000000 0.338405 0.000000 Ni\n0.333315 0.010033 0.666923 Ni\n0.666685 0.676718 0.333077 Ni\n0.783235 0.216765 0.215939 Ni\n0.110931 0.889069 0.889629 Ni\n0.448284 0.551716 0.552187 Ni\n0.010033 0.333315 0.333077 Ni\n0.338405 0.000000 0.000000 Ni\n0.676718 0.666685 0.666923 Ni\n0.666685 0.989967 0.333077 Ni\n0.000000 0.661595 0.000000 Ni\n0.333315 0.323282 0.666923 Ni\n0.889069 0.110931 0.110371 Ni\n0.216765 0.783235 0.784061 Ni\n0.551716 0.448284 0.447813 Ni\n0.889069 0.778139 0.110371 Ni\n0.216765 0.433530 0.784061 Ni\n0.551716 0.103431 0.447813 Ni\n0.221861 0.110931 0.110371 Ni\n0.566470 0.783235 0.784061 Ni\n0.896569 0.448284 0.447813 Ni\n0.661595 0.661595 0.000000 Ni\n0.989967 0.323282 0.666923 Ni\n0.323282 0.989967 0.333077 Ni\n0.323282 0.333315 0.333077 Ni\n0.661595 0.000000 0.000000 Ni\n0.989967 0.666685 0.666923 Ni\n0.433530 0.216765 0.215939 Ni\n0.778139 0.889069 0.889629 Ni\n0.103431 0.551716 0.552187 Ni\n0.182182 0.364364 0.204135 Ni\n0.515162 0.030324 0.871476 Ni\n0.848790 0.697579 0.537886 Ni\n0.182182 0.817818 0.204135 Ni\n0.515162 0.484838 0.871476 Ni\n0.848790 0.151210 0.537886 Ni\n0.333333 0.666667 0.053071 Ni\n0.666667 0.333333 0.719678 Ni\n0.000000 0.000000 0.385928 Ni\n0.635636 0.817818 0.204135 Ni\n0.969676 0.484838 0.871476 Ni\n0.302421 0.151210 0.537886 Ni\n0.484838 0.969676 0.128524 Ni\n0.817818 0.635636 0.795865 Ni\n0.151210 0.302421 0.462114 Ni\n0.484838 0.515162 0.128524 Ni\n0.817818 0.182182 0.795865 Ni\n0.151210 0.848790 0.462114 Ni\n0.333333 0.666667 0.280322 Ni\n0.666667 0.333333 0.946929 Ni\n0.000000 0.000000 0.614072 Ni\n0.030324 0.515162 0.128524 Ni\n0.364364 0.182182 0.795865 Ni\n0.697579 0.848790 0.462114 Ni\n0.000000 0.000000 0.000000 Ni\n0.490616 0.509384 0.244593 B\n0.821228 0.178772 0.911032 B\n0.156833 0.843167 0.578108 B\n0.178772 0.357544 0.088968 B\n0.509384 0.018768 0.755407 B\n0.843167 0.686334 0.421892 B\n0.018768 0.509384 0.244593 B\n0.357544 0.178772 0.911032 B\n0.686334 0.843167 0.578108 B\n0.178772 0.821228 0.088968 B\n0.509384 0.490616 0.755407 B\n0.843167 0.156833 0.421892 B\n0.490616 0.981232 0.244593 B\n0.821228 0.642456 0.911032 B\n0.156833 0.313666 0.578108 B\n0.642456 0.821228 0.088968 B\n0.981232 0.490616 0.755407 B\n0.313666 0.156833 0.421892 B\n","nsites":87,"nelements":3,"elements":["Zr","Ni","B"],"chemical_system":"B-Ni-Zr","density":8.240619700202934,"density_atomic":0.09584409667853691,"volume":907.7241375835572,"volume_molar":6.283267273307802,"formula_full":"Zr8 Ni61 B18","formula_reduced":"Zr8Ni61B18","formula_anonymous":"A8B18C61","energy":-576.5993077,"energy_per_atom":-6.627578249425288,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-576.5993077,"band_gap":0.0007000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0048574,"is_theoretical":true,"updated_at":"2021-11-28T01:39:54.775000Z","spacegroup":164},{"id":"mp-1197366","created_at":"2022-09-04T14:48:31.011071Z","structure_string":"Sr2 Fe10 P10 O44\n1.0\n6.538455 0.000000 0.000000\n-1.372628 7.899660 0.000000\n-0.167100 -1.561294 15.730427\nSr Fe P O\n2 10 10 44\ndirect\n0.025885 0.598084 0.135317 Sr\n0.974115 0.401916 0.864683 Sr\n0.405280 0.391194 0.631684 Fe\n0.594720 0.608806 0.368316 Fe\n0.032409 0.205947 0.491021 Fe\n0.967591 0.794053 0.508979 Fe\n0.375736 0.894252 0.286980 Fe\n0.624264 0.105748 0.713020 Fe\n0.283014 0.712831 0.751284 Fe\n0.716986 0.287169 0.248716 Fe\n0.318820 0.234243 0.013796 Fe\n0.681180 0.765757 0.986204 Fe\n0.103864 0.052500 0.679124 P\n0.896136 0.947500 0.320876 P\n0.084377 0.520194 0.361049 P\n0.915623 0.479806 0.638951 P\n0.535648 0.221317 0.440164 P\n0.464352 0.778683 0.559836 P\n0.798817 0.185962 0.043623 P\n0.201183 0.814038 0.956377 P\n0.498695 0.574030 0.152822 P\n0.501305 0.425970 0.847178 P\n0.019764 0.020125 0.582834 O\n0.980236 0.979875 0.417166 O\n0.925699 0.628271 0.403667 O\n0.074301 0.371729 0.596333 O\n0.109395 0.373258 0.412117 O\n0.890605 0.626742 0.587883 O\n0.616606 0.723254 0.489823 O\n0.383394 0.276746 0.510177 O\n0.316681 0.177130 0.681331 O\n0.683319 0.822870 0.318669 O\n0.300120 0.633992 0.352910 O\n0.699880 0.366008 0.647090 O\n0.420379 0.640846 0.627131 O\n0.579621 0.359154 0.372869 O\n0.948045 0.130090 0.734891 O\n0.051955 0.869910 0.265109 O\n0.567718 0.943090 0.608440 O\n0.432282 0.056910 0.391560 O\n0.382604 0.717156 0.185420 O\n0.617396 0.282844 0.814580 O\n0.558758 0.892511 0.792328 O\n0.441242 0.107489 0.207672 O\n0.989899 0.456320 0.272013 O\n0.010101 0.543680 0.727987 O\n0.182985 0.724929 0.864187 O\n0.817015 0.275071 0.135813 O\n0.594497 0.503344 0.231630 O\n0.405503 0.496656 0.768370 O\n0.153441 0.886261 0.707030 O\n0.846559 0.113739 0.292970 O\n0.740977 0.214270 0.485328 O\n0.259023 0.785730 0.514672 O\n0.616579 0.242247 0.997739 O\n0.383421 0.757753 0.002261 O\n0.226985 0.007187 0.956958 O\n0.773015 0.992813 0.043042 O\n0.003777 0.265241 0.002476 O\n0.996223 0.734759 0.997524 O\n0.334918 0.083489 0.133475 O\n0.665082 0.916511 0.866525 O\n0.337411 0.432164 0.104141 O\n0.662589 0.567836 0.895859 O\n0.323173 0.361827 0.905751 O\n0.676827 0.638173 0.094249 O\n","nsites":66,"nelements":4,"elements":["Sr","Fe","P","O"],"chemical_system":"Fe-O-P-Sr","density":3.5712288517095483,"density_atomic":0.08123064188701982,"volume":812.5012737409676,"volume_molar":7.413631875980907,"formula_full":"Sr2 Fe10 P10 O44","formula_reduced":"SrFe5P5O22","formula_anonymous":"AB5C5D22","energy":-491.33374541,"energy_per_atom":-7.444450688030303,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-461.68974541,"band_gap":0.9821999999999996,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":50.0010454,"is_theoretical":true,"updated_at":"2021-11-28T01:39:54.755000Z","spacegroup":2},{"id":"mp-1047875","created_at":"2022-09-04T14:48:29.383904Z","structure_string":"Ca2 P6 W6 O26\n1.0\n6.721754 0.000000 0.000000\n0.000000 7.863487 0.000000\n0.000000 1.763094 10.609681\nCa P W O\n2 6 6 26\ndirect\n0.750000 0.352933 0.193797 Ca\n0.250000 0.647067 0.806203 Ca\n0.250000 0.786056 0.494671 P\n0.750000 0.213944 0.505329 P\n0.250000 0.262831 0.766913 P\n0.750000 0.737169 0.233087 P\n0.750000 0.682735 0.888299 P\n0.250000 0.317265 0.111701 P\n0.250000 0.638918 0.206438 W\n0.750000 0.361082 0.793562 W\n0.250000 0.230165 0.442329 W\n0.500000 0.000000 0.000000 W\n0.750000 0.769835 0.557671 W\n0.000000 0.000000 0.000000 W\n0.750000 0.645870 0.747837 O\n0.569144 0.248746 0.413038 O\n0.250000 0.197169 0.642217 O\n0.554143 0.779719 0.904004 O\n0.750000 0.345997 0.597157 O\n0.750000 0.120605 0.904392 O\n0.250000 0.654003 0.402843 O\n0.054143 0.220281 0.095996 O\n0.250000 0.970226 0.418365 O\n0.750000 0.029774 0.581635 O\n0.071362 0.380614 0.786545 O\n0.250000 0.879395 0.095608 O\n0.571362 0.619386 0.213455 O\n0.750000 0.497324 0.965524 O\n0.750000 0.802831 0.357783 O\n0.445857 0.220281 0.095996 O\n0.930856 0.248746 0.413038 O\n0.430856 0.751254 0.586962 O\n0.428638 0.380614 0.786545 O\n0.250000 0.354130 0.252163 O\n0.750000 0.901909 0.126162 O\n0.250000 0.098091 0.873838 O\n0.928638 0.619386 0.213455 O\n0.945857 0.779719 0.904004 O\n0.069144 0.751254 0.586962 O\n0.250000 0.502676 0.034476 O\n","nsites":40,"nelements":4,"elements":["Ca","P","W","O"],"chemical_system":"Ca-O-P-W","density":5.28558173888113,"density_atomic":0.07132797222293154,"volume":560.7898101320231,"volume_molar":8.442887933471795,"formula_full":"Ca2 P6 W6 O26","formula_reduced":"CaP3W3O13","formula_anonymous":"AB3C3D13","energy":-339.91795329,"energy_per_atom":-8.49794883225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-295.42795329,"band_gap":0.9698000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.0006071,"is_theoretical":true,"updated_at":"2021-11-28T01:39:54.751000Z","spacegroup":11},{"id":"mp-770382","created_at":"2022-09-04T14:48:30.551789Z","structure_string":"Li6 V6 B4 O20\n1.0\n3.038718 0.000000 0.000000\n0.095202 9.269216 0.000000\n0.019388 0.052798 12.227206\nLi V B O\n6 6 4 20\ndirect\n0.001721 0.005201 0.998378 Li\n0.499934 0.977001 0.508708 Li\n0.002535 0.518063 0.506850 Li\n0.499290 0.498400 0.000208 Li\n0.499174 0.730504 0.400560 Li\n0.001569 0.985980 0.709639 Li\n0.000038 0.993347 0.290218 V\n0.500715 0.238027 0.107350 V\n0.520625 0.249403 0.611980 V\n0.998007 0.500260 0.784146 V\n0.999593 0.507907 0.219914 V\n0.471034 0.765651 0.884688 V\n0.498899 0.227893 0.857471 B\n0.497179 0.274672 0.362309 B\n0.501666 0.729695 0.633788 B\n0.504072 0.779031 0.136531 B\n0.000064 0.107167 0.154596 O\n0.979943 0.133808 0.574512 O\n0.496588 0.124250 0.346590 O\n0.495287 0.157057 0.760023 O\n0.499867 0.155729 0.956815 O\n0.496839 0.339845 0.459381 O\n0.500888 0.357644 0.262503 O\n0.495877 0.381501 0.856484 O\n0.002421 0.385610 0.085674 O\n0.011372 0.384598 0.652031 O\n0.998147 0.592666 0.341309 O\n0.991313 0.622704 0.921123 O\n0.496894 0.626373 0.149077 O\n0.497378 0.646759 0.742524 O\n0.498825 0.646132 0.545315 O\n0.517304 0.841819 0.036881 O\n0.502961 0.864565 0.230383 O\n0.505946 0.873447 0.645451 O\n0.000985 0.896929 0.411428 O\n0.015053 0.880363 0.855163 O\n","nsites":36,"nelements":4,"elements":["Li","V","B","O"],"chemical_system":"B-Li-O-V","density":3.425855596646917,"density_atomic":0.10453022148469535,"volume":344.398007472613,"volume_molar":5.761147995732243,"formula_full":"Li6 V6 B4 O20","formula_reduced":"Li3V3(BO5)2","formula_anonymous":"A2B3C3D10","energy":-283.91346519,"energy_per_atom":-7.886485144166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-259.97346519,"band_gap":1.0475000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0003787,"is_theoretical":true,"updated_at":"2021-11-28T01:39:54.697000Z","spacegroup":1},{"id":"mp-760303","created_at":"2022-09-04T14:48:29.223354Z","structure_string":"Mn3 V1 Cr2 P6 O24\n1.0\n7.287980 -4.343097 0.000000\n7.287980 4.343097 0.000000\n4.699815 0.000000 7.063206\nMn V Cr P O\n3 1 2 6 24\ndirect\n0.355142 0.355142 0.355142 Mn\n0.145490 0.145490 0.145490 Mn\n0.645077 0.645077 0.645077 Mn\n0.854927 0.854927 0.854927 V\n0.000023 0.000023 0.000023 Cr\n0.501133 0.501133 0.501133 Cr\n0.749270 0.047402 0.453259 P\n0.047402 0.453259 0.749270 P\n0.453259 0.749270 0.047402 P\n0.547841 0.250110 0.950403 P\n0.950403 0.547841 0.250110 P\n0.250110 0.950403 0.547841 P\n0.898169 0.488690 0.676862 O\n0.488690 0.676862 0.898169 O\n0.676862 0.898169 0.488690 O\n0.905242 0.064009 0.251058 O\n0.828973 0.991629 0.610501 O\n0.598588 0.247430 0.448563 O\n0.064009 0.251058 0.905242 O\n0.247430 0.448563 0.598588 O\n0.395888 0.177566 0.991701 O\n0.448563 0.598588 0.247430 O\n0.753370 0.090228 0.929373 O\n0.991701 0.395888 0.177566 O\n0.991629 0.610501 0.828973 O\n0.251058 0.905242 0.064009 O\n0.566330 0.401112 0.747158 O\n0.610501 0.828973 0.991629 O\n0.747158 0.566330 0.401112 O\n0.929373 0.753370 0.090228 O\n0.401112 0.747158 0.566330 O\n0.177566 0.991701 0.395888 O\n0.090228 0.929373 0.753370 O\n0.316084 0.101737 0.519650 O\n0.519650 0.316084 0.101737 O\n0.101737 0.519650 0.316084 O\n","nsites":36,"nelements":5,"elements":["Mn","V","Cr","P","O"],"chemical_system":"Cr-Mn-O-P-V","density":3.303646639720337,"density_atomic":0.08051261473968667,"volume":447.1349007406501,"volume_molar":7.479748086024509,"formula_full":"Mn3 V1 Cr2 P6 O24","formula_reduced":"Mn3VCr2(PO4)6","formula_anonymous":"AB2C3D6E24","energy":-295.86656525,"energy_per_atom":-8.218515701388888,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-268.67656525,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:39:54.689000Z","spacegroup":146},{"id":"mp-977576","created_at":"2022-09-04T14:48:30.506624Z","structure_string":"Nd1 Zn1 Au2\n1.0\n0.000000 3.506758 3.506758\n3.506758 0.000000 3.506758\n3.506758 3.506758 0.000000\nNd Zn Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Zn\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n","nsites":4,"nelements":3,"elements":["Nd","Zn","Au"],"chemical_system":"Au-Nd-Zn","density":11.620893755887124,"density_atomic":0.046378063022684574,"volume":86.24767269912735,"volume_molar":12.984890630413853,"formula_full":"Nd1 Zn1 Au2","formula_reduced":"NdZnAu2","formula_anonymous":"ABC2","energy":-14.92075842,"energy_per_atom":-3.730189605,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.92075842,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004353,"is_theoretical":true,"updated_at":"2021-11-28T01:39:54.684000Z","spacegroup":225},{"id":"mp-1213623","created_at":"2022-09-04T14:48:31.260769Z","structure_string":"Li3 Ni1 O6\n1.0\n-3.550982 -6.150482 0.000000\n-3.746303 6.263251 0.000000\n0.000000 0.000000 -33.522628\nLi Ni O\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.000000 0.500000 -0.000000 Li\n0.000000 0.000000 -0.000000 Ni\n0.000000 0.000000 0.755598 O\n0.000000 0.000000 0.244402 O\n0.763693 0.736249 -0.000000 O\n0.236307 0.263751 -0.000000 O\n0.027444 0.263751 -0.000000 O\n0.972556 0.736249 -0.000000 O\n","nsites":10,"nelements":3,"elements":["Li","Ni","O"],"chemical_system":"Li-Ni-O","density":0.19199580221610435,"density_atomic":0.00658770042227158,"volume":1517.9803814684983,"volume_molar":91.41491528121792,"formula_full":"Li3 Ni1 O6","formula_reduced":"Li3NiO6","formula_anonymous":"AB3C6","energy":-38.38010221,"energy_per_atom":-3.8380102209999998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.87310221,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.3667317,"is_theoretical":true,"updated_at":"2021-11-28T01:39:54.682000Z","spacegroup":65},{"id":"mp-1036238","created_at":"2022-09-04T14:48:30.817048Z","structure_string":"Mg14 Mn1 Bi1 O16\n1.0\n4.412074 0.000000 0.000000\n0.000000 8.754680 0.000000\n0.000000 0.000000 8.839935\nMg Mn Bi O\n14 1 1 16\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.763556 0.000000 Mg\n0.500000 0.236444 0.000000 Mg\n0.500000 0.752202 0.500000 Mg\n0.500000 0.247798 0.500000 Mg\n0.500000 0.000000 0.744666 Mg\n0.500000 0.500000 0.734910 Mg\n0.500000 0.000000 0.255334 Mg\n0.500000 0.500000 0.265090 Mg\n0.000000 0.755938 0.739622 Mg\n0.000000 0.244062 0.739622 Mg\n0.000000 0.755938 0.260378 Mg\n0.000000 0.244062 0.260378 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Bi\n0.000000 0.000000 0.738813 O\n0.000000 0.500000 0.724237 O\n0.000000 0.000000 0.261187 O\n0.000000 0.500000 0.275763 O\n0.500000 0.749849 0.751158 O\n0.500000 0.250151 0.751158 O\n0.500000 0.749849 0.248842 O\n0.500000 0.250151 0.248842 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.764747 0.000000 O\n0.000000 0.235253 0.000000 O\n0.000000 0.753982 0.500000 O\n0.000000 0.246018 0.500000 O\n","nsites":32,"nelements":4,"elements":["Mg","Mn","Bi","O"],"chemical_system":"Bi-Mg-Mn-O","density":4.183171971429792,"density_atomic":0.09371688444699698,"volume":341.45394598662836,"volume_molar":6.425886643090353,"formula_full":"Mg14 Mn1 Bi1 O16","formula_reduced":"Mg14MnBiO16","formula_anonymous":"ABC14D16","energy":-201.23526818,"energy_per_atom":-6.288602130625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-188.57526818,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.5117967,"is_theoretical":true,"updated_at":"2021-11-28T01:39:54.644000Z","spacegroup":47},{"id":"mp-1247598","created_at":"2022-09-04T14:48:29.432539Z","structure_string":"Sr1 Ca7 Mn7 Cr1 O22\n1.0\n7.718789 -0.047866 0.007240\n-0.047866 7.718789 0.007240\n0.007101 0.007101 7.665416\nSr Ca Mn Cr O\n1 7 7 1 22\ndirect\n0.251222 0.251222 0.230293 Sr\n0.252345 0.252345 0.740215 Ca\n0.250844 0.750112 0.241339 Ca\n0.249757 0.747929 0.732434 Ca\n0.750112 0.250844 0.241339 Ca\n0.747929 0.249757 0.732434 Ca\n0.748862 0.748862 0.250676 Ca\n0.750444 0.750444 0.703257 Ca\n0.000539 0.000539 0.506703 Mn\n0.994308 0.505679 0.003894 Mn\n0.999047 0.501022 0.495726 Mn\n0.505679 0.994308 0.003894 Mn\n0.501022 0.999047 0.495726 Mn\n0.506854 0.506854 0.986171 Mn\n0.501281 0.501281 0.508028 Mn\n0.991839 0.991839 0.988067 Cr\n0.958980 0.958980 0.757574 O\n0.030468 0.470513 0.252000 O\n0.965413 0.533921 0.751716 O\n0.470513 0.030468 0.252000 O\n0.533921 0.965413 0.751716 O\n0.539145 0.539145 0.750027 O\n0.239168 0.995728 0.992899 O\n0.249310 0.999441 0.532254 O\n0.254533 0.504454 0.982972 O\n0.252233 0.501062 0.526986 O\n0.760643 0.000726 0.058931 O\n0.755225 0.003247 0.456554 O\n0.742966 0.498416 0.056872 O\n0.744999 0.497326 0.454916 O\n0.995728 0.239168 0.992899 O\n0.999441 0.249310 0.532254 O\n0.000726 0.760643 0.058931 O\n0.003247 0.755225 0.456554 O\n0.504454 0.254533 0.982972 O\n0.501062 0.252233 0.526986 O\n0.498416 0.742966 0.056872 O\n0.497326 0.744999 0.454916 O\n","nsites":38,"nelements":5,"elements":["Sr","Ca","Mn","Cr","O"],"chemical_system":"Ca-Cr-Mn-O-Sr","density":4.2058999638479975,"density_atomic":0.08320836527718127,"volume":456.6848522190709,"volume_molar":7.237422271113272,"formula_full":"Sr1 Ca7 Mn7 Cr1 O22","formula_reduced":"SrCa7Mn7CrO22","formula_anonymous":"ABC7D7E22","energy":-293.01253943,"energy_per_atom":-7.710856300789474,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-264.22353943,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":26.9994674,"is_theoretical":true,"updated_at":"2021-11-28T01:39:54.622000Z","spacegroup":8},{"id":"mp-977110","created_at":"2022-09-04T14:48:30.825016Z","structure_string":"Na1 Sn1 Pd2\n1.0\n0.000000 3.288059 3.288059\n3.288059 0.000000 3.288059\n3.288059 3.288059 0.000000\nNa Sn Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n","nsites":4,"nelements":3,"elements":["Na","Sn","Pd"],"chemical_system":"Na-Pd-Sn","density":8.280665740599128,"density_atomic":0.05626148490467103,"volume":71.09659488684959,"volume_molar":10.703842549132611,"formula_full":"Na1 Sn1 Pd2","formula_reduced":"NaSnPd2","formula_anonymous":"ABC2","energy":-17.33473628,"energy_per_atom":-4.33368407,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.33473628,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001154,"is_theoretical":true,"updated_at":"2021-11-28T01:39:54.601000Z","spacegroup":225},{"id":"mp-1096836","created_at":"2022-09-04T14:48:30.760953Z","structure_string":"Ba3 Sn1 S4\n1.0\n6.332577 0.000000 0.000000\n0.000000 6.332577 0.000000\n0.000000 0.000000 6.332577\nBa Sn S\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.000000 S\n0.500000 0.000000 0.500000 S\n0.000000 0.500000 0.500000 S\n","nsites":8,"nelements":3,"elements":["Ba","Sn","S"],"chemical_system":"Ba-S-Sn","density":4.308844101672287,"density_atomic":0.031502755988998876,"volume":253.94603579425535,"volume_molar":19.116234662462553,"formula_full":"Ba3 Sn1 S4","formula_reduced":"Ba3SnS4","formula_anonymous":"AB3C4","energy":-41.36239714,"energy_per_atom":-5.1702996425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.35039714,"band_gap":1.0857,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":6.19e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:54.585000Z","spacegroup":221}]}