{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_theoretical&page=12160","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_theoretical&page=12158","results":[{"id":"mp-562239","created_at":"2022-09-04T14:48:20.362644Z","structure_string":"V8 P8 Pb4 O40\n1.0\n8.787201 0.000000 0.000000\n0.000000 5.283439 0.000000\n0.000000 0.314514 17.052989\nV P Pb O\n8 8 4 40\ndirect\n0.334594 0.854524 0.568554 V\n0.536864 0.537199 0.848733 V\n0.963136 0.537199 0.348733 V\n0.463136 0.462801 0.151267 V\n0.665406 0.145476 0.431446 V\n0.165406 0.854524 0.068554 V\n0.834594 0.145476 0.931446 V\n0.036864 0.462801 0.651267 V\n0.588574 0.632831 0.322412 P\n0.282233 0.357476 0.981599 P\n0.411426 0.367169 0.677588 P\n0.717767 0.642524 0.018401 P\n0.217767 0.357476 0.481599 P\n0.088574 0.367169 0.177588 P\n0.782233 0.642524 0.518401 P\n0.911426 0.632831 0.822412 P\n0.296982 0.048285 0.320270 Pb\n0.203018 0.048285 0.820270 Pb\n0.796982 0.951715 0.179730 Pb\n0.703018 0.951715 0.679730 Pb\n0.990953 0.320423 0.251982 O\n0.458897 0.621187 0.637351 O\n0.316110 0.597963 0.487293 O\n0.938532 0.213302 0.685197 O\n0.329796 0.808856 0.113444 O\n0.670204 0.191144 0.886556 O\n0.259201 0.368912 0.201631 O\n0.759201 0.631088 0.298369 O\n0.818939 0.888544 0.020776 O\n0.541103 0.378813 0.362649 O\n0.640451 0.645956 0.101396 O\n0.009047 0.679577 0.748018 O\n0.140451 0.354044 0.398604 O\n0.181061 0.111456 0.979224 O\n0.170204 0.808856 0.613444 O\n0.943870 0.863529 0.875196 O\n0.101861 0.336948 0.548024 O\n0.601861 0.663052 0.951976 O\n0.318939 0.111456 0.479224 O\n0.056130 0.136471 0.124804 O\n0.681061 0.888544 0.520776 O\n0.240799 0.368912 0.701631 O\n0.061468 0.786698 0.314803 O\n0.958897 0.378813 0.862649 O\n0.183890 0.597963 0.987293 O\n0.683890 0.402037 0.512707 O\n0.829796 0.191144 0.386556 O\n0.041103 0.621187 0.137351 O\n0.443870 0.136471 0.624804 O\n0.509047 0.320423 0.751982 O\n0.490953 0.679577 0.248018 O\n0.438532 0.786698 0.814803 O\n0.359549 0.354044 0.898604 O\n0.740799 0.631088 0.798369 O\n0.898139 0.663052 0.451976 O\n0.398139 0.336948 0.048024 O\n0.561468 0.213302 0.185197 O\n0.816110 0.402037 0.012707 O\n0.556130 0.863529 0.375196 O\n0.859549 0.645956 0.601396 O\n","nsites":60,"nelements":4,"elements":["V","P","Pb","O"],"chemical_system":"O-P-Pb-V","density":4.455083998955114,"density_atomic":0.07578503930433249,"volume":791.7129891436226,"volume_molar":7.946345103572079,"formula_full":"V8 P8 Pb4 O40","formula_reduced":"V2P2PbO10","formula_anonymous":"AB2C2D10","energy":-479.78769792,"energy_per_atom":-7.996461632000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-438.70769792,"band_gap":1.8245,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.999595,"is_theoretical":false,"updated_at":"2021-11-28T01:39:09.316000Z","spacegroup":14},{"id":"mp-1202222","created_at":"2022-09-04T14:48:20.366121Z","structure_string":"Co12 P8 O36\n1.0\n7.949238 0.000000 0.000000\n0.000000 9.386316 0.000000\n0.000000 4.111467 8.634946\nCo P O\n12 8 36\ndirect\n0.593468 0.035037 0.235385 Co\n0.093468 0.464963 0.764615 Co\n0.406532 0.964963 0.764615 Co\n0.906532 0.535037 0.235385 Co\n0.606717 0.406248 0.109502 Co\n0.106717 0.093752 0.890498 Co\n0.393283 0.593752 0.890498 Co\n0.893283 0.906248 0.109502 Co\n0.683387 0.465982 0.581720 Co\n0.183387 0.034018 0.418280 Co\n0.316613 0.534018 0.418280 Co\n0.816613 0.965982 0.581720 Co\n0.962439 0.232326 0.123968 P\n0.462439 0.267674 0.876032 P\n0.037561 0.767674 0.876032 P\n0.537561 0.732326 0.123968 P\n0.512121 0.203505 0.484901 P\n0.012121 0.296495 0.515099 P\n0.487879 0.796495 0.515099 P\n0.987879 0.703505 0.484901 P\n0.864873 0.366590 0.145343 O\n0.364873 0.133410 0.854657 O\n0.135127 0.633410 0.854657 O\n0.635127 0.866590 0.145343 O\n0.626925 0.311732 0.782940 O\n0.126925 0.188268 0.217060 O\n0.373075 0.688268 0.217060 O\n0.873075 0.811732 0.782940 O\n0.508389 0.216470 0.048956 O\n0.008389 0.283530 0.951044 O\n0.491611 0.783530 0.951044 O\n0.991611 0.716470 0.048956 O\n0.842459 0.085097 0.180657 O\n0.342459 0.414903 0.819343 O\n0.157541 0.914903 0.819343 O\n0.657541 0.585097 0.180657 O\n0.838218 0.383155 0.469596 O\n0.338218 0.116845 0.530404 O\n0.161782 0.616845 0.530404 O\n0.661782 0.883155 0.469596 O\n0.574126 0.222959 0.324294 O\n0.074126 0.277041 0.675706 O\n0.425874 0.777041 0.675706 O\n0.925874 0.722959 0.324294 O\n0.492138 0.366135 0.490026 O\n0.992138 0.133865 0.509974 O\n0.507862 0.633865 0.509974 O\n0.007862 0.866135 0.490026 O\n0.628166 0.090953 0.618668 O\n0.128166 0.409047 0.381332 O\n0.371834 0.909047 0.381332 O\n0.871834 0.590953 0.618668 O\n0.871456 0.031421 0.913953 O\n0.371456 0.468579 0.086047 O\n0.128544 0.968579 0.086047 O\n0.628544 0.531421 0.913953 O\n","nsites":56,"nelements":3,"elements":["Co","P","O"],"chemical_system":"Co-O-P","density":3.9457955937585925,"density_atomic":0.08691760081371011,"volume":644.2883774487104,"volume_molar":6.928563033978828,"formula_full":"Co12 P8 O36","formula_reduced":"Co3P2O9","formula_anonymous":"A2B3C9","energy":-414.46018358,"energy_per_atom":-7.401074706785714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-370.07218358,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":27.9694442,"is_theoretical":false,"updated_at":"2021-11-28T01:39:25.854000Z","spacegroup":14},{"id":"mp-684006","created_at":"2022-09-04T14:48:20.369424Z","structure_string":"Ag36 Te12 I12 O48\n1.0\n7.262713 0.000000 0.000000\n0.000000 13.564766 0.000000\n0.000000 2.703618 19.809092\nAg Te I O\n36 12 12 48\ndirect\n0.490017 0.101991 0.628796 Ag\n0.131813 0.241677 0.581839 Ag\n0.331106 0.348718 0.859185 Ag\n0.828225 0.606490 0.300807 Ag\n0.666407 0.276549 0.695638 Ag\n0.524055 0.887947 0.990453 Ag\n0.798221 0.257541 0.857115 Ag\n0.136349 0.031108 0.417352 Ag\n0.990017 0.398009 0.371204 Ag\n0.554627 0.537776 0.934965 Ag\n0.363651 0.531108 0.417352 Ag\n0.863651 0.968892 0.582648 Ag\n0.636349 0.468892 0.582648 Ag\n0.509983 0.898009 0.371204 Ag\n0.833593 0.776549 0.695638 Ag\n0.701779 0.757541 0.857115 Ag\n0.831106 0.151282 0.140815 Ag\n0.868187 0.758323 0.418161 Ag\n0.166407 0.223451 0.304362 Ag\n0.945373 0.037776 0.934965 Ag\n0.168894 0.848718 0.859185 Ag\n0.368187 0.741677 0.581839 Ag\n0.171775 0.393510 0.699193 Ag\n0.009983 0.601991 0.628796 Ag\n0.631813 0.258323 0.418161 Ag\n0.054627 0.962224 0.065035 Ag\n0.445373 0.462224 0.065035 Ag\n0.671775 0.106490 0.300807 Ag\n0.298221 0.242459 0.142885 Ag\n0.333593 0.723451 0.304362 Ag\n0.975945 0.387947 0.990453 Ag\n0.024055 0.612053 0.009547 Ag\n0.668894 0.651282 0.140815 Ag\n0.328225 0.893510 0.699193 Ag\n0.201779 0.742459 0.142885 Ag\n0.475945 0.112053 0.009547 Ag\n0.673055 0.500486 0.753861 Te\n0.326945 0.499514 0.246139 Te\n0.510040 0.945171 0.158686 Te\n0.010040 0.554829 0.841314 Te\n0.654412 0.350690 0.243552 Te\n0.173055 0.999514 0.246139 Te\n0.154412 0.149310 0.756448 Te\n0.345588 0.649310 0.756448 Te\n0.989960 0.445171 0.158686 Te\n0.489960 0.054829 0.841314 Te\n0.826945 0.000486 0.753861 Te\n0.845588 0.850690 0.243552 Te\n0.600045 0.327964 0.984292 I\n0.253769 0.973541 0.561127 I\n0.100045 0.172036 0.015708 I\n0.899955 0.827964 0.984292 I\n0.399955 0.672036 0.015708 I\n0.746231 0.026459 0.438873 I\n0.740561 0.250523 0.560300 I\n0.240561 0.249477 0.439700 I\n0.759439 0.750523 0.560300 I\n0.753769 0.526459 0.438873 I\n0.259439 0.749477 0.439700 I\n0.246231 0.473541 0.561127 I\n0.469215 0.618427 0.236504 O\n0.686159 0.968853 0.678644 O\n0.014858 0.263827 0.768071 O\n0.186159 0.531147 0.321356 O\n0.136036 0.388904 0.093663 O\n0.658623 0.116323 0.765560 O\n0.490814 0.410678 0.307510 O\n0.653776 0.030759 0.095372 O\n0.341377 0.883677 0.234440 O\n0.490801 0.440400 0.179876 O\n0.030785 0.118427 0.236504 O\n0.485142 0.763827 0.768071 O\n0.990814 0.089322 0.692490 O\n0.813841 0.468853 0.678644 O\n0.158623 0.383677 0.234440 O\n0.295075 0.213622 0.681879 O\n0.840602 0.441248 0.828376 O\n0.509186 0.589322 0.692490 O\n0.969215 0.881573 0.763496 O\n0.363964 0.888904 0.093663 O\n0.530785 0.381573 0.763496 O\n0.823232 0.471221 0.235597 O\n0.795075 0.286378 0.318121 O\n0.676768 0.971221 0.235597 O\n0.841377 0.616323 0.765560 O\n0.324348 0.175025 0.831660 O\n0.153776 0.469241 0.904628 O\n0.509199 0.559600 0.820124 O\n0.990801 0.059600 0.820124 O\n0.636036 0.111096 0.906337 O\n0.704925 0.786378 0.318121 O\n0.159398 0.558752 0.171624 O\n0.514858 0.236173 0.231929 O\n0.675652 0.824975 0.168340 O\n0.346224 0.969241 0.904628 O\n0.863964 0.611096 0.906337 O\n0.846224 0.530759 0.095372 O\n0.824348 0.324975 0.168340 O\n0.176768 0.528779 0.764403 O\n0.204925 0.713622 0.681879 O\n0.009199 0.940400 0.179876 O\n0.323232 0.028779 0.764403 O\n0.313841 0.031147 0.321356 O\n0.659398 0.941248 0.828376 O\n0.175652 0.675025 0.831660 O\n0.009186 0.910678 0.307510 O\n0.985142 0.736173 0.231929 O\n0.340602 0.058752 0.171624 O\n","nsites":108,"nelements":4,"elements":["Ag","Te","I","O"],"chemical_system":"Ag-I-O-Te","density":6.556344524294627,"density_atomic":0.055341126808419294,"volume":1951.5323635146779,"volume_molar":10.881854250723036,"formula_full":"Ag36 Te12 I12 O48","formula_reduced":"Ag3TeIO4","formula_anonymous":"ABC3D4","energy":-487.40298132,"energy_per_atom":-4.512990567777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-449.8789813199999,"band_gap":0.1964999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0253614,"is_theoretical":false,"updated_at":"2021-11-28T01:38:52.955000Z","spacegroup":14},{"id":"mp-650513","created_at":"2022-09-04T14:48:20.417539Z","structure_string":"Ca6 In4 As8\n1.0\n4.461046 0.000000 0.000000\n0.000000 6.875774 0.000000\n0.000000 0.000000 16.779957\nCa In As\n6 4 8\ndirect\n0.000000 0.275674 0.803630 Ca\n0.500000 0.775674 0.696370 Ca\n0.000000 0.724326 0.196370 Ca\n0.500000 0.224326 0.303630 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.859935 0.411708 In\n0.500000 0.359935 0.088292 In\n0.000000 0.140065 0.588292 In\n0.500000 0.640065 0.911708 In\n0.500000 0.240221 0.928906 As\n0.500000 0.759779 0.071094 As\n0.000000 0.228491 0.172658 As\n0.000000 0.259779 0.428906 As\n0.500000 0.728491 0.327342 As\n0.000000 0.771509 0.827342 As\n0.000000 0.740221 0.571094 As\n0.500000 0.271509 0.672658 As\n","nsites":18,"nelements":3,"elements":["Ca","In","As"],"chemical_system":"As-Ca-In","density":4.191281407334596,"density_atomic":0.03497223327738157,"volume":514.6940390461588,"volume_molar":17.21977750816058,"formula_full":"Ca6 In4 As8","formula_reduced":"Ca3(InAs2)2","formula_anonymous":"A2B3C4","energy":-74.71962434,"energy_per_atom":-4.151090241111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.71962434,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000657,"is_theoretical":false,"updated_at":"2021-11-28T01:39:25.753000Z","spacegroup":58},{"id":"mp-556282","created_at":"2022-09-04T14:48:20.520969Z","structure_string":"Ba8 Al4 In4 O20\n1.0\n2.966461 -5.138061 0.000000\n2.966461 5.138061 0.000000\n0.000000 0.000000 19.982460\nBa Al In O\n8 4 4 20\ndirect\n0.666667 0.333333 0.894087 Ba\n0.333333 0.666667 0.105913 Ba\n0.333333 0.666667 0.394087 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.250000 Ba\n0.666667 0.333333 0.605913 Ba\n0.333333 0.666667 0.750000 Ba\n0.000000 0.000000 0.836687 Al\n0.000000 0.000000 0.163313 Al\n0.000000 0.000000 0.663313 Al\n0.000000 0.000000 0.336687 Al\n0.333333 0.666667 0.566752 In\n0.666667 0.333333 0.066752 In\n0.333333 0.666667 0.933248 In\n0.666667 0.333333 0.433248 In\n0.673611 0.836806 0.634333 O\n0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.250000 O\n0.836806 0.673611 0.365667 O\n0.836806 0.163194 0.134333 O\n0.163194 0.326389 0.634333 O\n0.673611 0.836806 0.865667 O\n0.326389 0.163194 0.134333 O\n0.000000 0.000000 0.750000 O\n0.836806 0.163194 0.365667 O\n0.163194 0.326389 0.865667 O\n0.500000 0.000000 0.000000 O\n0.326389 0.163194 0.365667 O\n0.500000 0.000000 0.500000 O\n0.836806 0.673611 0.134333 O\n0.163194 0.836806 0.634333 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.163194 0.836806 0.865667 O\n","nsites":36,"nelements":4,"elements":["Ba","Al","In","O"],"chemical_system":"Al-Ba-In-O","density":5.413376434001932,"density_atomic":0.05909975136307194,"volume":609.13961852121,"volume_molar":10.18979034785397,"formula_full":"Ba8 Al4 In4 O20","formula_reduced":"Ba2AlInO5","formula_anonymous":"ABC2D5","energy":-243.75731645,"energy_per_atom":-6.771036568055555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-230.01731645,"band_gap":2.1165000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":7.99e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:38:43.827000Z","spacegroup":194},{"id":"mp-559745","created_at":"2022-09-04T14:48:20.394387Z","structure_string":"Si2 Ag16 S4 O8\n1.0\n-3.722400 3.722400 9.837424\n3.722400 -3.722400 9.837424\n3.722400 3.722400 -9.837424\nSi Ag S O\n2 16 4 8\ndirect\n0.750000 0.250000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.147267 0.647267 0.500000 Ag\n0.600754 0.100754 0.500000 Ag\n0.051364 0.551364 0.102729 Ag\n0.149246 0.149246 0.000000 Ag\n0.899246 0.399246 0.500000 Ag\n0.051364 0.948636 0.500000 Ag\n0.301364 0.698636 0.000000 Ag\n0.602733 0.602733 0.000000 Ag\n0.698636 0.698636 0.397271 Ag\n0.698636 0.301364 0.000000 Ag\n0.850754 0.850754 0.000000 Ag\n0.448636 0.948636 0.897271 Ag\n0.352733 0.852733 0.500000 Ag\n0.301364 0.301364 0.602729 Ag\n0.397267 0.397267 0.000000 Ag\n0.448636 0.551364 0.500000 Ag\n0.018268 0.518268 0.500000 S\n0.731732 0.731732 0.000000 S\n0.481732 0.981732 0.500000 S\n0.268268 0.268268 0.000000 S\n0.695458 0.025680 0.330223 O\n0.695458 0.365235 0.669777 O\n0.974320 0.304542 0.669777 O\n0.634765 0.304542 0.330223 O\n0.054542 0.224320 0.169777 O\n0.054542 0.884765 0.830223 O\n0.115235 0.945458 0.169777 O\n0.775680 0.945458 0.830223 O\n","nsites":30,"nelements":4,"elements":["Si","Ag","S","O"],"chemical_system":"Ag-O-S-Si","density":6.207738995562392,"density_atomic":0.05502167333537476,"volume":545.239687952425,"volume_molar":10.945033829293266,"formula_full":"Si2 Ag16 S4 O8","formula_reduced":"SiAg8(SO2)2","formula_anonymous":"AB2C4D8","energy":-128.72589631,"energy_per_atom":-4.290863210333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-123.22989631,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003525,"is_theoretical":false,"updated_at":"2021-11-28T01:38:49.740000Z","spacegroup":141},{"id":"mp-1960","created_at":"2022-09-04T14:48:20.408980Z","structure_string":"Li2 O1\n1.0\n0.000000 2.329421 2.329421\n2.329421 0.000000 2.329421\n2.329421 2.329421 0.000000\nLi O\n2 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 O\n","nsites":3,"nelements":2,"elements":["Li","O"],"chemical_system":"Li-O","density":1.9628001560343873,"density_atomic":0.11867173720917233,"volume":25.279818687680972,"volume_molar":5.074620884149777,"formula_full":"Li2 O1","formula_reduced":"Li2O","formula_anonymous":"AB2","energy":-14.95060048,"energy_per_atom":-4.983533493333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.263600479999996,"band_gap":4.895499999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:38:51.885000Z","spacegroup":225},{"id":"mp-1062974","created_at":"2022-09-04T14:48:20.410084Z","structure_string":"Pr1 Pd2\n1.0\n-1.987090 1.987090 4.475568\n1.987090 -1.987090 4.475568\n1.987090 1.987090 -4.475568\nPr Pd\n1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n","nsites":3,"nelements":2,"elements":["Pr","Pd"],"chemical_system":"Pd-Pr","density":8.309969580841136,"density_atomic":0.04244025921679276,"volume":70.68759841157993,"volume_molar":14.189688920696225,"formula_full":"Pr1 Pd2","formula_reduced":"PrPd2","formula_anonymous":"AB2","energy":-16.68184828,"energy_per_atom":-5.5606160933333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.68184828,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009465,"is_theoretical":false,"updated_at":"2021-11-28T01:38:52.106000Z","spacegroup":139},{"id":"mp-30922","created_at":"2022-09-04T14:48:20.413951Z","structure_string":"Ho6 Co1 Bi2\n1.0\n4.181095 -7.241870 0.000000\n4.181095 7.241870 0.000000\n0.000000 0.000000 4.076088\nHo Co Bi\n6 1 2\ndirect\n0.230783 0.000000 0.000000 Ho\n0.000000 0.606826 0.500000 Ho\n0.393174 0.393174 0.500000 Ho\n0.769217 0.769217 0.000000 Ho\n0.000000 0.230783 0.000000 Ho\n0.606826 0.000000 0.500000 Ho\n0.000000 0.000000 0.500000 Co\n0.333333 0.666667 0.000000 Bi\n0.666667 0.333333 0.000000 Bi\n","nsites":9,"nelements":3,"elements":["Ho","Co","Bi"],"chemical_system":"Bi-Co-Ho","density":9.865287017907953,"density_atomic":0.03646096865638321,"volume":246.83930053581759,"volume_molar":16.516677921407076,"formula_full":"Ho6 Co1 Bi2","formula_reduced":"Ho6CoBi2","formula_anonymous":"AB2C6","energy":-46.49298228,"energy_per_atom":-5.16588692,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.49298228,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.7797536,"is_theoretical":false,"updated_at":"2021-11-28T01:38:54.722000Z","spacegroup":189},{"id":"mp-1196768","created_at":"2022-09-04T14:48:20.416280Z","structure_string":"Ca4 Be4 As4 O20\n1.0\n4.983994 0.000000 -0.007116\n0.000000 7.931287 0.000000\n0.013997 0.000000 10.200590\nCa Be As O\n4 4 4 20\ndirect\n0.995867 0.384735 0.827891 Ca\n0.004133 0.884735 0.672109 Ca\n0.004133 0.615265 0.172109 Ca\n0.995867 0.115265 0.327891 Ca\n0.556210 0.084092 0.838387 Be\n0.443790 0.584092 0.661613 Be\n0.443790 0.915908 0.161613 Be\n0.556210 0.415908 0.338387 Be\n0.474519 0.225201 0.579656 As\n0.525481 0.725201 0.920344 As\n0.525481 0.774799 0.420344 As\n0.474519 0.274799 0.079656 As\n0.236565 0.084288 0.533249 O\n0.763435 0.584288 0.966751 O\n0.763435 0.915712 0.466751 O\n0.236565 0.415712 0.033249 O\n0.671540 0.210932 0.951156 O\n0.328460 0.710932 0.548844 O\n0.328460 0.789068 0.048844 O\n0.671540 0.289068 0.451156 O\n0.693370 0.152109 0.699512 O\n0.306630 0.652109 0.800488 O\n0.306630 0.847891 0.300488 O\n0.693370 0.347891 0.199512 O\n0.312218 0.397513 0.646079 O\n0.687782 0.897513 0.853921 O\n0.687782 0.602487 0.353921 O\n0.312218 0.102487 0.146079 O\n0.237337 0.095845 0.811796 O\n0.762663 0.595845 0.688204 O\n0.762663 0.904155 0.188204 O\n0.237337 0.404155 0.311796 O\n","nsites":32,"nelements":4,"elements":["Ca","Be","As","O"],"chemical_system":"As-Be-Ca-O","density":3.360552098571824,"density_atomic":0.07936018274313954,"volume":403.2248779412786,"volume_molar":7.588365540300622,"formula_full":"Ca4 Be4 As4 O20","formula_reduced":"CaBeAsO5","formula_anonymous":"ABCD5","energy":-217.64040153,"energy_per_atom":-6.8012625478125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-203.90040153,"band_gap":0.6178000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0001937,"is_theoretical":false,"updated_at":"2021-11-28T01:38:43.417000Z","spacegroup":14},{"id":"mp-1106082","created_at":"2022-09-04T14:48:20.422673Z","structure_string":"Li4 Ce4 Si8\n1.0\n3.870282 0.000000 0.000000\n0.000000 7.667086 0.000000\n0.000000 0.000000 10.480343\nLi Ce Si\n4 4 8\ndirect\n0.250000 0.994506 0.390294 Li\n0.250000 0.494506 0.109706 Li\n0.750000 0.005494 0.609706 Li\n0.750000 0.505494 0.890294 Li\n0.250000 0.138247 0.864003 Ce\n0.250000 0.638247 0.635997 Ce\n0.750000 0.861753 0.135997 Ce\n0.750000 0.361753 0.364003 Ce\n0.250000 0.231063 0.569513 Si\n0.250000 0.731063 0.930487 Si\n0.750000 0.768937 0.430487 Si\n0.750000 0.268937 0.069513 Si\n0.250000 0.663500 0.320946 Si\n0.250000 0.163500 0.179054 Si\n0.750000 0.336500 0.679054 Si\n0.750000 0.836500 0.820946 Si\n","nsites":16,"nelements":3,"elements":["Li","Ce","Si"],"chemical_system":"Ce-Li-Si","density":4.340544277399988,"density_atomic":0.05144836070334485,"volume":310.9914442611148,"volume_molar":11.705214078100797,"formula_full":"Li4 Ce4 Si8","formula_reduced":"LiCeSi2","formula_anonymous":"ABC2","energy":-83.55452104,"energy_per_atom":-5.222157565,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.12252104,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.5893626,"is_theoretical":false,"updated_at":"2021-11-28T01:39:11.761000Z","spacegroup":62},{"id":"mp-1190240","created_at":"2022-09-04T14:48:20.447882Z","structure_string":"Tm4 Si4 Pt8\n1.0\n5.489351 0.000000 0.000000\n0.000000 6.957340 0.000000\n0.000000 0.000000 7.268141\nTm Si Pt\n4 4 8\ndirect\n0.362788 0.750000 0.028534 Tm\n0.137212 0.750000 0.528534 Tm\n0.637212 0.250000 0.971466 Tm\n0.862788 0.250000 0.471466 Tm\n0.636858 0.750000 0.381166 Si\n0.863142 0.750000 0.881166 Si\n0.363142 0.250000 0.618834 Si\n0.136858 0.250000 0.118834 Si\n0.907935 0.550128 0.182505 Pt\n0.592065 0.949872 0.682505 Pt\n0.092065 0.050128 0.817495 Pt\n0.407935 0.449872 0.317495 Pt\n0.092065 0.449872 0.817495 Pt\n0.407935 0.050128 0.317495 Pt\n0.907935 0.949872 0.182505 Pt\n0.592065 0.550128 0.682505 Pt\n","nsites":16,"nelements":3,"elements":["Tm","Si","Pt"],"chemical_system":"Pt-Si-Tm","density":14.05071656422954,"density_atomic":0.05764111987827207,"volume":277.5796173597805,"volume_molar":10.447647049047111,"formula_full":"Tm4 Si4 Pt8","formula_reduced":"TmSiPt2","formula_anonymous":"ABC2","energy":-107.04269889,"energy_per_atom":-6.690168680625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-107.04269889,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006228,"is_theoretical":false,"updated_at":"2021-11-28T01:38:44.542000Z","spacegroup":62}]}