{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=updated_at&page=10142","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=updated_at&page=10140","results":[{"id":"mp-1075982","created_at":"2022-09-04T14:46:57.397527Z","structure_string":"Ba1 Sr7 Co5 Cu3 O24\n1.0\n5.549524 5.548709 0.000000\n-5.549524 5.548709 0.000000\n0.000000 0.007338 7.705854\nBa Sr Co Cu O\n1 7 5 3 24\ndirect\n0.248996 0.248996 0.751098 Ba\n0.248332 0.751371 0.750615 Sr\n0.751615 0.751615 0.750634 Sr\n0.751371 0.248332 0.750615 Sr\n0.248546 0.751463 0.249492 Sr\n0.751959 0.751959 0.248959 Sr\n0.248224 0.248224 0.249641 Sr\n0.751463 0.248546 0.249492 Sr\n0.502291 0.502291 0.000925 Co\n0.998798 0.998798 0.498615 Co\n0.500978 0.998716 0.498708 Co\n0.998716 0.500978 0.498708 Co\n0.501011 0.501011 0.498692 Co\n0.999551 0.999551 0.000089 Cu\n0.500605 0.000072 0.000506 Cu\n0.000072 0.500605 0.000506 Cu\n0.995609 0.995609 0.739850 O\n0.504329 0.995849 0.738582 O\n0.995849 0.504329 0.738582 O\n0.503508 0.503508 0.761530 O\n0.999174 0.999174 0.258973 O\n0.500971 0.999422 0.260346 O\n0.999422 0.500971 0.260346 O\n0.501462 0.501462 0.239253 O\n0.998373 0.749702 0.001044 O\n0.501807 0.750599 0.001022 O\n0.992506 0.250391 0.006776 O\n0.504824 0.250311 0.004959 O\n0.998198 0.750373 0.498316 O\n0.500525 0.740781 0.498853 O\n0.994349 0.249445 0.496098 O\n0.505052 0.259912 0.495553 O\n0.250391 0.992506 0.006776 O\n0.749702 0.998373 0.001044 O\n0.250311 0.504824 0.004959 O\n0.750599 0.501807 0.001022 O\n0.249445 0.994349 0.496098 O\n0.750373 0.998198 0.498316 O\n0.259912 0.505052 0.495553 O\n0.740781 0.500525 0.498853 O\n","nsites":40,"nelements":5,"elements":["Ba","Sr","Co","Cu","O"],"chemical_system":"Ba-Co-Cu-O-Sr","density":5.668315502926727,"density_atomic":0.08428718243268071,"volume":474.56800483214136,"volume_molar":7.144788313228789,"formula_full":"Ba1 Sr7 Co5 Cu3 O24","formula_reduced":"BaSr7Co5(CuO8)3","formula_anonymous":"AB3C5D7E24","energy":-254.95394567,"energy_per_atom":-6.3738486417499995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-230.27594567,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.2014995,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.656000Z","spacegroup":8},{"id":"mp-1034896","created_at":"2022-09-04T14:46:42.404516Z","structure_string":"Mg14 Zn1 Si1 O16\n1.0\n8.591912 0.000000 0.000000\n0.000000 8.591912 0.000000\n0.000000 0.000000 4.295472\nMg Zn Si O\n14 1 1 16\ndirect\n-0.000000 0.500000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Mg\n-0.000000 0.249851 0.500000 Mg\n-0.000000 0.750149 0.500000 Mg\n0.500000 0.246965 0.500000 Mg\n0.500000 0.753035 0.500000 Mg\n0.249851 0.000000 0.500000 Mg\n0.246965 0.500000 0.500000 Mg\n0.750149 0.000000 0.500000 Mg\n0.753035 0.500000 0.500000 Mg\n0.248645 0.248645 -0.000000 Mg\n0.248645 0.751355 -0.000000 Mg\n0.751355 0.248645 0.000000 Mg\n0.751355 0.751355 0.000000 Mg\n-0.000000 -0.000000 -0.000000 Zn\n0.500000 0.500000 -0.000000 Si\n0.252009 -0.000000 -0.000000 O\n0.239323 0.500000 -0.000000 O\n0.747991 0.000000 -0.000000 O\n0.760677 0.500000 -0.000000 O\n0.250425 0.250425 0.500000 O\n0.250425 0.749575 0.500000 O\n0.749575 0.250425 0.500000 O\n0.749575 0.749575 0.500000 O\n-0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.252009 0.000000 O\n-0.000000 0.747991 0.000000 O\n0.500000 0.239323 0.000000 O\n0.500000 0.760677 -0.000000 O\n","nsites":32,"nelements":4,"elements":["Mg","Zn","Si","O"],"chemical_system":"Mg-O-Si-Zn","density":3.6120467187281853,"density_atomic":0.10091586459778974,"volume":317.0958315378776,"volume_molar":5.967486662282331,"formula_full":"Mg14 Zn1 Si1 O16","formula_reduced":"Mg14ZnSiO16","formula_anonymous":"ABC14D16","energy":-197.91792359,"energy_per_atom":-6.1849351121875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-186.92592359,"band_gap":4.4741,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.656000Z","spacegroup":123},{"id":"mp-1233414","created_at":"2022-09-04T14:46:56.233685Z","structure_string":"Sr4 Ca1 Mn2 Ga2 O11\n1.0\n-4.499867 4.059854 0.018079\n-4.500119 -4.060025 -0.018137\n-4.499945 0.034597 7.497141\nSr Ca Mn Ga O\n4 1 2 2 11\ndirect\n0.125725 0.636786 0.736472 Sr\n0.651774 0.159664 0.694771 Sr\n0.354538 0.846543 0.305222 Sr\n0.873229 0.362286 0.263530 Sr\n0.317708 0.817654 0.000000 Ca\n0.249357 0.249348 0.500016 Mn\n0.750654 0.750615 0.499999 Mn\n0.523877 0.401030 0.996974 Ga\n0.898115 0.021030 0.002998 Ga\n0.159127 0.028609 0.791497 O\n0.551331 0.661510 0.773672 O\n0.320152 0.450620 0.208497 O\n0.935199 0.824925 0.226340 O\n0.542552 0.015338 0.454547 O\n0.969884 0.497002 0.545488 O\n0.028394 0.028357 0.499968 O\n0.469913 0.469890 0.500011 O\n0.829275 0.329336 0.000014 O\n0.679172 0.838708 0.002976 O\n0.341452 0.182180 0.997011 O\n","nsites":20,"nelements":5,"elements":["Sr","Ca","Mn","Ga","O"],"chemical_system":"Ca-Ga-Mn-O-Sr","density":4.945635739332236,"density_atomic":0.07300963922786086,"volume":273.93643101810994,"volume_molar":8.24841873441544,"formula_full":"Sr4 Ca1 Mn2 Ga2 O11","formula_reduced":"Sr4CaMn2Ga2O11","formula_anonymous":"AB2C2D4E11","energy":-138.2523941,"energy_per_atom":-6.912619705,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-127.3593941,"band_gap":0.6734999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0185431,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.657000Z","spacegroup":5},{"id":"mp-865045","created_at":"2022-09-04T14:46:58.860095Z","structure_string":"Mn2 Ru6\n1.0\n5.385793 -0.000266 0.000000\n-2.693126 4.664580 0.000000\n0.000000 0.000000 4.245482\nMn Ru\n2 6\ndirect\n0.666664 0.333338 0.250000 Mn\n0.333343 0.666666 0.750000 Mn\n0.830266 0.169779 0.750000 Ru\n0.339530 0.169748 0.750000 Ru\n0.830237 0.660455 0.750000 Ru\n0.169712 0.830240 0.250000 Ru\n0.660497 0.830262 0.250000 Ru\n0.169747 0.339503 0.250000 Ru\n","nsites":8,"nelements":2,"elements":["Mn","Ru"],"chemical_system":"Mn-Ru","density":11.152310561885574,"density_atomic":0.0750089634314424,"volume":106.65392019864316,"volume_molar":8.028561500525454,"formula_full":"Mn2 Ru6","formula_reduced":"MnRu3","formula_anonymous":"AB3","energy":-74.00233957,"energy_per_atom":-9.25029244625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.00233957,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.6925471,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.657000Z","spacegroup":194},{"id":"mp-1189696","created_at":"2022-09-04T14:46:58.883325Z","structure_string":"Si10 Ir8\n1.0\n0.000000 3.652787 0.000000\n0.007194 0.000000 5.943348\n12.258334 0.000000 -2.184314\nSi Ir\n10 8\ndirect\n0.250000 0.642838 0.637080 Si\n0.750000 0.357162 0.362920 Si\n0.250000 0.890462 0.424153 Si\n0.750000 0.109538 0.575847 Si\n0.250000 0.472202 0.224622 Si\n0.750000 0.527798 0.775378 Si\n0.750000 0.978297 0.140990 Si\n0.250000 0.021703 0.859010 Si\n0.250000 0.491307 0.921613 Si\n0.750000 0.508693 0.078387 Si\n0.250000 0.218766 0.049268 Ir\n0.750000 0.781234 0.950732 Ir\n0.250000 0.107460 0.273657 Ir\n0.750000 0.892540 0.726343 Ir\n0.250000 0.300179 0.501538 Ir\n0.750000 0.699821 0.498462 Ir\n0.250000 0.289835 0.731213 Ir\n0.750000 0.710165 0.268787 Ir\n","nsites":18,"nelements":2,"elements":["Si","Ir"],"chemical_system":"Ir-Si","density":11.344974252705875,"density_atomic":0.067622603106232,"volume":266.1831868809136,"volume_molar":8.905514551901371,"formula_full":"Si10 Ir8","formula_reduced":"Si5Ir4","formula_anonymous":"A4B5","energy":-136.48689692,"energy_per_atom":-7.582605384444444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-137.19689692,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024256,"is_theoretical":false,"updated_at":"2021-11-28T01:37:47.658000Z","spacegroup":11},{"id":"mp-754127","created_at":"2022-09-04T14:46:59.849179Z","structure_string":"Li2 Co4 P4 O16\n1.0\n5.265694 0.000000 0.000000\n1.441380 7.791206 0.000000\n0.461085 0.283979 8.758111\nLi Co P O\n2 4 4 16\ndirect\n0.882965 0.026114 0.355676 Li\n0.176191 0.448337 0.772270 Li\n0.756736 0.810621 0.902362 Co\n0.681823 0.322381 0.557192 Co\n0.305800 0.681868 0.440624 Co\n0.241257 0.202916 0.089512 Co\n0.762471 0.712893 0.570293 P\n0.764064 0.213349 0.896909 P\n0.236635 0.795883 0.102089 P\n0.237737 0.282797 0.435603 P\n0.941935 0.805288 0.466061 O\n0.989132 0.734204 0.051504 O\n0.878406 0.667518 0.731091 O\n0.746667 0.537534 0.494722 O\n0.823533 0.026708 0.838572 O\n0.484651 0.811293 0.579622 O\n0.599644 0.327149 0.771660 O\n0.603813 0.223828 0.048170 O\n0.415264 0.804000 0.954740 O\n0.371450 0.669651 0.220981 O\n0.522582 0.174460 0.438714 O\n0.152569 0.978686 0.167127 O\n0.274667 0.439047 0.534295 O\n0.156072 0.333990 0.274530 O\n0.021152 0.280857 0.910342 O\n0.035985 0.187847 0.520960 O\n","nsites":26,"nelements":4,"elements":["Li","Co","P","O"],"chemical_system":"Co-Li-O-P","density":2.9092044219646347,"density_atomic":0.07236067306130298,"volume":359.3111962622729,"volume_molar":8.32239461744382,"formula_full":"Li2 Co4 P4 O16","formula_reduced":"LiCo2(PO4)2","formula_anonymous":"AB2C2D8","energy":-190.59222804,"energy_per_atom":-7.33047030923077,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-173.04822804,"band_gap":0.6136999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9999004,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.662000Z","spacegroup":1},{"id":"mp-2665","created_at":"2022-09-04T14:46:57.415825Z","structure_string":"Pr2 Ru4\n1.0\n0.000000 3.855283 3.855283\n3.855283 0.000000 3.855283\n3.855283 3.855283 0.000000\nPr Ru\n2 4\ndirect\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Pr\n0.125000 0.125000 0.625000 Ru\n0.125000 0.625000 0.125000 Ru\n0.125000 0.125000 0.125000 Ru\n0.625000 0.125000 0.125000 Ru\n","nsites":6,"nelements":2,"elements":["Pr","Ru"],"chemical_system":"Pr-Ru","density":9.941107181580719,"density_atomic":0.05235431297525109,"volume":114.60373862295391,"volume_molar":11.502664093494618,"formula_full":"Pr2 Ru4","formula_reduced":"PrRu2","formula_anonymous":"AB2","energy":-47.23968937,"energy_per_atom":-7.8732815616666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.23968937,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0037284,"is_theoretical":false,"updated_at":"2021-11-28T01:37:47.664000Z","spacegroup":227},{"id":"mp-867865","created_at":"2022-09-04T14:46:59.937115Z","structure_string":"Re2 Rh6\n1.0\n2.755969 -4.773479 0.000000\n2.755969 4.773479 0.000000\n0.000000 0.000000 4.366316\nRe Rh\n2 6\ndirect\n0.333333 0.666667 0.750000 Re\n0.666667 0.333333 0.250000 Re\n0.168959 0.337917 0.250000 Rh\n0.662083 0.831041 0.250000 Rh\n0.168959 0.831041 0.250000 Rh\n0.831041 0.662083 0.750000 Rh\n0.337917 0.168959 0.750000 Rh\n0.831041 0.168959 0.750000 Rh\n","nsites":8,"nelements":2,"elements":["Re","Rh"],"chemical_system":"Re-Rh","density":14.30746410833262,"density_atomic":0.06963626726862032,"volume":114.88266551020291,"volume_molar":8.647994782330489,"formula_full":"Re2 Rh6","formula_reduced":"ReRh3","formula_anonymous":"AB3","energy":-69.66210164,"energy_per_atom":-8.707762705,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.66210164,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002056,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.678000Z","spacegroup":194},{"id":"mp-759247","created_at":"2022-09-04T14:46:55.262372Z","structure_string":"Fe12 O12 F12\n1.0\n3.095875 0.000000 0.000000\n0.000000 9.498173 0.000000\n0.000000 0.134087 14.282076\nFe O F\n12 12 12\ndirect\n0.000000 0.986134 0.995935 Fe\n0.000000 0.990930 0.336037 Fe\n0.000000 0.991432 0.660354 Fe\n0.500000 0.710222 0.163458 Fe\n0.500000 0.770509 0.499332 Fe\n0.500000 0.775290 0.828962 Fe\n0.000000 0.495285 0.324667 Fe\n0.000000 0.489890 0.000090 Fe\n0.000000 0.484154 0.666909 Fe\n0.500000 0.273169 0.165692 Fe\n0.500000 0.252353 0.520979 Fe\n0.500000 0.275033 0.833696 Fe\n0.500000 0.901365 0.599403 O\n0.500000 0.901176 0.940370 O\n0.000000 0.856500 0.767874 O\n0.000000 0.849146 0.428261 O\n0.000000 0.654106 0.237524 O\n0.500000 0.595049 0.059731 O\n0.500000 0.397775 0.274012 O\n0.500000 0.401655 0.934627 O\n0.500000 0.415390 0.599262 O\n0.000000 0.340040 0.102313 O\n0.000000 0.347272 0.766708 O\n0.000000 0.151429 0.565960 O\n0.500000 0.909130 0.265071 F\n0.000000 0.848346 0.107980 F\n0.000000 0.656345 0.561556 F\n0.000000 0.656507 0.891396 F\n0.500000 0.595090 0.405006 F\n0.500000 0.604138 0.729362 F\n0.000000 0.344083 0.436019 F\n0.000000 0.142943 0.235113 F\n0.000000 0.149581 0.901195 F\n0.500000 0.090107 0.069730 F\n0.500000 0.099222 0.392004 F\n0.500000 0.099203 0.733410 F\n","nsites":36,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.310285506443321,"density_atomic":0.08572108674612038,"volume":419.9666775879893,"volume_molar":7.025273463734469,"formula_full":"Fe12 O12 F12","formula_reduced":"FeOF","formula_anonymous":"ABC","energy":-257.06169967,"energy_per_atom":-7.140602768611111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-216.20169967,"band_gap":0.3843999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":60.0010801,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.679000Z","spacegroup":6},{"id":"mp-555865","created_at":"2022-09-04T14:46:41.405857Z","structure_string":"Na2 Sr7 Al6 F34\n1.0\n5.500059 8.129948 0.000000\n-5.500059 8.129948 0.000000\n0.000000 1.449596 7.230542\nNa Sr Al F\n2 7 6 34\ndirect\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.551805 0.156927 0.302724 Sr\n0.739746 0.739746 0.118258 Sr\n0.260254 0.260254 0.881742 Sr\n0.843073 0.448195 0.697276 Sr\n0.156927 0.551805 0.302724 Sr\n0.448195 0.843073 0.697276 Sr\n0.000000 0.000000 0.000000 Sr\n0.132567 0.647021 0.798179 Al\n0.168313 0.168313 0.456574 Al\n0.867433 0.352979 0.201821 Al\n0.647021 0.132567 0.798179 Al\n0.831687 0.831687 0.543426 Al\n0.352979 0.867433 0.201821 Al\n0.778375 0.221900 0.794964 F\n0.989341 0.223025 0.370698 F\n0.221625 0.778100 0.205036 F\n0.885958 0.651994 0.457907 F\n0.037801 0.517743 0.811905 F\n0.348006 0.114042 0.542093 F\n0.754131 0.754131 0.762891 F\n0.245869 0.245869 0.237109 F\n0.252744 0.514183 0.964383 F\n0.444799 0.744372 0.391359 F\n0.223025 0.989341 0.370698 F\n0.998606 0.262211 0.007181 F\n0.776975 0.010659 0.629302 F\n0.747256 0.485817 0.035617 F\n0.737789 0.001394 0.992819 F\n0.262211 0.998606 0.007181 F\n0.517743 0.037801 0.811905 F\n0.010659 0.776975 0.629302 F\n0.114042 0.348006 0.542093 F\n0.255628 0.555201 0.608641 F\n0.778100 0.221625 0.205036 F\n0.101310 0.101310 0.683512 F\n0.962199 0.482257 0.188095 F\n0.898690 0.898690 0.316488 F\n0.744372 0.444799 0.391359 F\n0.001394 0.737789 0.992819 F\n0.651994 0.885958 0.457907 F\n0.482257 0.962199 0.188095 F\n0.485817 0.747256 0.035617 F\n0.514183 0.252744 0.964383 F\n0.221900 0.778375 0.794964 F\n0.555201 0.255628 0.608641 F\n0.422778 0.422778 0.280600 F\n0.577222 0.577222 0.719400 F\n","nsites":49,"nelements":4,"elements":["Na","Sr","Al","F"],"chemical_system":"Al-F-Na-Sr","density":3.767636333251713,"density_atomic":0.07577747241773496,"volume":646.6301716937717,"volume_molar":7.947138599189512,"formula_full":"Na2 Sr7 Al6 F34","formula_reduced":"Na2Sr7Al6F34","formula_anonymous":"A2B6C7D34","energy":-296.78657871,"energy_per_atom":-6.056868953265306,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-281.07857871,"band_gap":6.8999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.49e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:47.679000Z","spacegroup":12},{"id":"mp-1213888","created_at":"2022-09-04T14:46:38.286644Z","structure_string":"Cr5 Cu2 P6 O24\n1.0\n6.334047 0.000000 0.000000\n-1.601954 7.859293 0.000000\n-2.896920 -3.229528 8.297849\nCr Cu P O\n5 2 6 24\ndirect\n0.050044 0.213950 0.021604 Cr\n0.949956 0.786050 0.978396 Cr\n0.620082 0.039066 0.389892 Cr\n0.379918 0.960934 0.610108 Cr\n0.000000 0.500000 0.500000 Cr\n0.295859 0.327371 0.798225 Cu\n0.704141 0.672629 0.201775 Cu\n0.608041 0.261499 0.135711 P\n0.391959 0.738501 0.864289 P\n0.095719 0.101087 0.335574 P\n0.904281 0.898913 0.664426 P\n0.220309 0.644215 0.264328 P\n0.779691 0.355785 0.735672 P\n0.315521 0.046959 0.420055 O\n0.684479 0.953041 0.579945 O\n0.215341 0.692568 0.440618 O\n0.784659 0.307432 0.559382 O\n0.009519 0.687171 0.158010 O\n0.990481 0.312829 0.841990 O\n0.205049 0.446354 0.201620 O\n0.794951 0.553646 0.798380 O\n0.125764 0.300273 0.417041 O\n0.874236 0.699727 0.582959 O\n0.552835 0.129873 0.218790 O\n0.447165 0.870127 0.781210 O\n0.740853 0.457549 0.274360 O\n0.259147 0.542451 0.725640 O\n0.372159 0.256765 0.012654 O\n0.627841 0.743235 0.987346 O\n0.116839 0.024896 0.657064 O\n0.883161 0.975104 0.342936 O\n0.074319 0.052263 0.156460 O\n0.925681 0.947737 0.843540 O\n0.452764 0.763166 0.269984 O\n0.547236 0.236834 0.730016 O\n0.750861 0.211510 0.035971 O\n0.249139 0.788490 0.964029 O\n","nsites":37,"nelements":4,"elements":["Cr","Cu","P","O"],"chemical_system":"Cr-Cu-O-P","density":3.846676533275621,"density_atomic":0.08957182750671754,"volume":413.07631015148314,"volume_molar":6.723253200955807,"formula_full":"Cr5 Cu2 P6 O24","formula_reduced":"Cr5Cu2(PO4)6","formula_anonymous":"A2B5C6D24","energy":-297.29343115,"energy_per_atom":-8.03495759864865,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-270.81043115,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0001601,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.680000Z","spacegroup":2},{"id":"mp-1412082","created_at":"2022-09-04T14:47:02.163155Z","structure_string":"Al2 Cu2 O6\n1.0\n1.579118 -2.735113 0.000000\n1.579118 2.735113 0.000000\n0.000000 0.000000 11.229472\nAl Cu O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.250000 Cu\n0.333333 0.666667 0.423632 O\n0.666667 0.333333 0.923632 O\n0.666667 0.333333 0.576368 O\n0.333333 0.666667 0.076368 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n","nsites":10,"nelements":3,"elements":["Al","Cu","O"],"chemical_system":"Al-Cu-O","density":4.742751582207296,"density_atomic":0.1030910136855798,"volume":97.00166525182577,"volume_molar":5.841576821008958,"formula_full":"Al2 Cu2 O6","formula_reduced":"AlCuO3","formula_anonymous":"ABC3","energy":-64.75611387000001,"energy_per_atom":-6.475611387000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-60.63411387000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.6151517,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.682000Z","spacegroup":194}]}