{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=31","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=29","results":[{"id":"mp-1181507","created_at":"2022-09-04T14:44:09.858383Z","structure_string":"Dy10 Bi2 Au4\n1.0\n-4.078475 4.078475 6.550615\n4.078475 -4.078475 6.550615\n4.078475 4.078475 -6.550615\nDy Bi Au\n10 2 4\ndirect\n0.500000 0.500000 0.000000 Dy\n0.000000 0.000000 0.000000 Dy\n0.515945 0.015945 0.811701 Dy\n0.204244 0.704244 0.188299 Dy\n0.015945 0.204244 0.500000 Dy\n0.704244 0.515945 0.500000 Dy\n0.484055 0.984055 0.188299 Dy\n0.795756 0.295756 0.811701 Dy\n0.984055 0.795756 0.500000 Dy\n0.295756 0.484055 0.500000 Dy\n0.250000 0.250000 0.000000 Bi\n0.750000 0.750000 0.000000 Bi\n0.137040 0.637040 0.774080 Au\n0.862960 0.362960 0.225920 Au\n0.637040 0.862960 0.500000 Au\n0.362960 0.137040 0.500000 Au\n","nsites":16,"nelements":3,"elements":["Dy","Bi","Au"],"chemical_system":"Au-Bi-Dy","density":10.785114560070044,"density_atomic":0.03670982438542279,"volume":435.850627668856,"volume_molar":16.404711438476262,"formula_full":"Dy10 Bi2 Au4","formula_reduced":"Dy5BiAu2","formula_anonymous":"AB2C5","energy":-77.97505732,"energy_per_atom":-4.8734410825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.97505732,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027202,"is_theoretical":false,"updated_at":"2021-11-28T01:36:26.085000Z","spacegroup":140},{"id":"mp-863381","created_at":"2022-09-04T14:44:09.862150Z","structure_string":"Li12 Co12 P12 O48\n1.0\n5.288606 -9.160135 0.000000\n5.288606 9.160135 0.000000\n0.000000 0.000000 12.358765\nLi Co P O\n12 12 12 48\ndirect\n0.000000 0.500000 0.005603 Li\n0.000000 0.500000 0.661064 Li\n0.000000 0.500000 0.333333 Li\n0.000000 0.000000 0.166667 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.833333 Li\n0.500000 0.500000 0.338936 Li\n0.500000 0.500000 0.666667 Li\n0.500000 0.500000 0.994397 Li\n0.500000 0.000000 0.327730 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.000000 0.672270 Li\n0.000000 0.749459 0.833333 Co\n0.000000 0.250541 0.833333 Co\n0.249438 0.750562 0.166667 Co\n0.249438 0.498876 0.500000 Co\n0.501124 0.750562 0.833333 Co\n0.250541 0.250541 0.166667 Co\n0.250541 0.000000 0.500000 Co\n0.749459 0.749459 0.166667 Co\n0.498876 0.249438 0.833333 Co\n0.750562 0.501124 0.500000 Co\n0.750562 0.249438 0.166667 Co\n0.749459 0.000000 0.500000 Co\n0.000000 0.755412 0.333333 P\n0.247923 0.752077 0.666667 P\n0.000000 0.244588 0.333333 P\n0.247923 0.495846 0.000000 P\n0.244588 0.244588 0.666667 P\n0.504154 0.752077 0.333333 P\n0.244588 0.000000 0.000000 P\n0.495846 0.247923 0.333333 P\n0.755412 0.755412 0.666667 P\n0.752077 0.504154 0.000000 P\n0.752077 0.247923 0.666667 P\n0.755412 0.000000 0.000000 P\n0.067216 0.877280 0.420625 O\n0.122720 0.932784 0.912709 O\n0.103623 0.698105 0.730809 O\n0.111036 0.716950 0.282337 O\n0.283050 0.888964 0.050997 O\n0.301895 0.896377 0.602524 O\n0.202282 0.618817 0.591835 O\n0.103623 0.405518 0.935858 O\n0.202282 0.583465 0.074832 O\n0.111036 0.394086 0.384330 O\n0.067216 0.189936 0.246042 O\n0.381183 0.797718 0.741499 O\n0.416535 0.797718 0.258501 O\n0.122720 0.189936 0.753958 O\n0.283050 0.394086 0.615670 O\n0.381183 0.583465 0.925168 O\n0.301895 0.405518 0.064142 O\n0.416535 0.618817 0.408165 O\n0.189936 0.122720 0.579375 O\n0.189936 0.067216 0.087291 O\n0.594482 0.896377 0.397476 O\n0.605914 0.888964 0.949003 O\n0.605914 0.716950 0.717663 O\n0.405518 0.301895 0.269191 O\n0.594482 0.698105 0.269191 O\n0.394086 0.283050 0.717663 O\n0.394086 0.111036 0.949003 O\n0.405518 0.103623 0.397476 O\n0.810064 0.932784 0.087291 O\n0.810064 0.877280 0.579375 O\n0.583465 0.381183 0.408165 O\n0.698105 0.594482 0.064142 O\n0.618817 0.416535 0.925168 O\n0.716950 0.605914 0.615670 O\n0.877280 0.810064 0.753958 O\n0.583465 0.202282 0.258501 O\n0.618817 0.202282 0.741499 O\n0.932784 0.810064 0.246042 O\n0.888964 0.605914 0.384330 O\n0.797718 0.416535 0.074832 O\n0.896377 0.594482 0.935858 O\n0.797718 0.381183 0.591835 O\n0.698105 0.103623 0.602524 O\n0.716950 0.111036 0.050997 O\n0.888964 0.283050 0.282337 O\n0.896377 0.301895 0.730809 O\n0.877280 0.067216 0.912709 O\n0.932784 0.122720 0.420625 O\n","nsites":84,"nelements":4,"elements":["Li","Co","P","O"],"chemical_system":"Co-Li-O-P","density":2.676647957402056,"density_atomic":0.07015055777393012,"volume":1197.4245489351863,"volume_molar":8.584594265675237,"formula_full":"Li12 Co12 P12 O48","formula_reduced":"LiCoPO4","formula_anonymous":"ABCD4","energy":-601.11054007,"energy_per_atom":-7.15607785797619,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-548.47854007,"band_gap":2.2736,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":12.0009781,"is_theoretical":true,"updated_at":"2021-11-28T01:36:28.555000Z","spacegroup":181},{"id":"mp-1193047","created_at":"2022-09-04T14:44:09.926976Z","structure_string":"Cr6 Cl18\n1.0\n8.682328 5.940879 0.000000\n-8.682328 5.940879 0.000000\n0.000000 4.566759 6.385338\nCr Cl\n6 18\ndirect\n0.609968 0.390032 0.500000 Cr\n0.105281 0.894719 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.390032 0.609968 0.500000 Cr\n0.894719 0.105281 0.000000 Cr\n0.639502 0.016898 0.125071 Cl\n0.983102 0.360498 0.874929 Cl\n0.607103 0.253151 0.346482 Cl\n0.746849 0.392897 0.653518 Cl\n0.082686 0.874497 0.324116 Cl\n0.125503 0.917314 0.675884 Cl\n0.843088 0.843088 0.130283 Cl\n0.156912 0.156912 0.869717 Cl\n0.740078 0.740078 0.741716 Cl\n0.259922 0.259922 0.258284 Cl\n0.534477 0.534477 0.277499 Cl\n0.465523 0.465523 0.722501 Cl\n0.016898 0.639502 0.125071 Cl\n0.360498 0.983102 0.874929 Cl\n0.253151 0.607103 0.346482 Cl\n0.392897 0.746849 0.653518 Cl\n0.874497 0.082686 0.324116 Cl\n0.917314 0.125503 0.675884 Cl\n","nsites":24,"nelements":2,"elements":["Cr","Cl"],"chemical_system":"Cl-Cr","density":2.3951439524953444,"density_atomic":0.03643430246925879,"volume":658.7198978284226,"volume_molar":16.528766442231582,"formula_full":"Cr6 Cl18","formula_reduced":"CrCl3","formula_anonymous":"AB3","energy":-121.70725681,"energy_per_atom":-5.071135700416667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-110.65525681,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":17.9999663,"is_theoretical":false,"updated_at":"2021-11-28T01:36:28.268000Z","spacegroup":12},{"id":"mp-762287","created_at":"2022-09-04T14:44:09.864454Z","structure_string":"Li4 V10 O20\n1.0\n-1.086235 4.981654 -0.408431\n-2.255311 1.770708 7.173410\n10.407840 -0.061611 0.566389\nLi V O\n4 10 20\ndirect\n0.541492 0.406029 0.109367 Li\n0.534376 0.398735 0.603870 Li\n0.465653 0.601244 0.396093 Li\n0.458533 0.593968 0.890607 Li\n0.499978 0.000000 0.499996 V\n0.024888 0.684562 0.069793 V\n0.010608 0.687418 0.563883 V\n0.989408 0.312575 0.436097 V\n0.975097 0.315438 0.930198 V\n0.499991 0.000008 0.000035 V\n0.963911 0.895024 0.346367 V\n0.963386 0.888569 0.843568 V\n0.036600 0.111447 0.156443 V\n0.036163 0.104970 0.653634 V\n0.220122 0.864241 0.023514 O\n0.220608 0.868813 0.530401 O\n0.779437 0.131157 0.469614 O\n0.779858 0.135776 0.976508 O\n0.777439 0.513814 0.033096 O\n0.783075 0.504736 0.536315 O\n0.216920 0.495265 0.463675 O\n0.222566 0.486177 0.966888 O\n0.796112 0.936054 0.154909 O\n0.788577 0.935831 0.666542 O\n0.211414 0.064175 0.333453 O\n0.203869 0.063945 0.845121 O\n0.265764 0.217368 0.102375 O\n0.268867 0.223354 0.586908 O\n0.731135 0.776625 0.413074 O\n0.734236 0.782663 0.897663 O\n0.181951 0.680853 0.237377 O\n0.169873 0.688283 0.741047 O\n0.830075 0.311726 0.258956 O\n0.818020 0.319155 0.762614 O\n","nsites":34,"nelements":3,"elements":["Li","V","O"],"chemical_system":"Li-O-V","density":3.704801355170701,"density_atomic":0.08849715384716789,"volume":384.19314658092907,"volume_molar":6.804897669816669,"formula_full":"Li4 V10 O20","formula_reduced":"Li2V5O10","formula_anonymous":"A2B5C10","energy":-280.92408602,"energy_per_atom":-8.262473118235294,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-250.18408602,"band_gap":0.6202000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9998786,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.344000Z","spacegroup":2},{"id":"mp-1173008","created_at":"2022-09-04T14:44:09.916786Z","structure_string":"Li4 V2 P2 O8 F2\n1.0\n5.423304 0.000000 0.000000\n-0.499940 5.415408 0.000000\n-2.147673 -2.377508 6.723831\nLi V P O F\n4 2 2 8 2\ndirect\n0.417275 0.762943 0.847971 Li\n0.871514 0.538954 0.150928 Li\n0.009899 0.503132 0.523946 Li\n0.551490 0.191162 0.165963 Li\n0.999083 0.003293 0.994251 V\n0.007119 0.011582 0.503478 V\n0.625646 0.343883 0.757934 P\n0.378173 0.660319 0.234331 P\n0.213835 0.725959 0.375592 O\n0.771444 0.273043 0.607020 O\n0.676273 0.672225 0.337859 O\n0.350293 0.855190 0.113526 O\n0.655276 0.161131 0.889167 O\n0.744289 0.629710 0.910390 O\n0.331921 0.344880 0.656580 O\n0.263037 0.375099 0.092568 O\n0.913974 0.177490 0.268215 F\n0.087827 0.842122 0.728870 F\n","nsites":18,"nelements":5,"elements":["Li","V","P","O","F"],"chemical_system":"F-Li-O-P-V","density":3.0068954526604013,"density_atomic":0.09115082096226695,"volume":197.47490817939348,"volume_molar":6.606787186802127,"formula_full":"Li4 V2 P2 O8 F2","formula_reduced":"Li2VPO4F","formula_anonymous":"ABCD2E4","energy":-128.7736416,"energy_per_atom":-7.1540912,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-118.9536416,"band_gap":3.0226,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:26.184000Z","spacegroup":1},{"id":"mp-1183230","created_at":"2022-09-04T14:44:09.945782Z","structure_string":"Ac1 Sm3\n1.0\n-2.624721 2.624721 5.274311\n2.624721 -2.624721 5.274311\n2.624721 2.624721 -5.274311\nAc Sm\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n","nsites":4,"nelements":2,"elements":["Ac","Sm"],"chemical_system":"Ac-Sm","density":7.747079537304917,"density_atomic":0.027521238478461836,"volume":145.34229639158158,"volume_molar":21.881794181293607,"formula_full":"Ac1 Sm3","formula_reduced":"AcSm3","formula_anonymous":"AB3","energy":-18.08810888,"energy_per_atom":-4.52202722,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.08810888,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023811,"is_theoretical":true,"updated_at":"2021-11-28T01:36:27.627000Z","spacegroup":139},{"id":"mp-1247657","created_at":"2022-09-04T14:44:09.947518Z","structure_string":"Ca8 Mn6 Cr2 O22\n1.0\n7.671242 0.000000 0.000000\n0.000000 7.660459 0.000000\n0.000000 0.000000 7.652705\nCa Mn Cr O\n8 6 2 22\ndirect\n0.251915 0.250358 0.251308 Ca\n0.249772 0.249232 0.744283 Ca\n0.251915 0.749642 0.251308 Ca\n0.249772 0.750768 0.744283 Ca\n0.748085 0.250358 0.251308 Ca\n0.750228 0.249232 0.744283 Ca\n0.748085 0.749642 0.251308 Ca\n0.750228 0.750768 0.744283 Ca\n0.000000 0.000000 0.500520 Mn\n0.000000 0.500000 0.006071 Mn\n0.000000 0.500000 0.491019 Mn\n0.500000 0.000000 0.490570 Mn\n0.500000 0.500000 0.992971 Mn\n0.500000 0.500000 0.504857 Mn\n0.000000 0.000000 0.993775 Cr\n0.500000 0.000000 0.004126 Cr\n0.000000 0.000000 0.755301 O\n0.000000 0.500000 0.249120 O\n0.000000 0.500000 0.749712 O\n0.500000 0.000000 0.254975 O\n0.500000 0.000000 0.743745 O\n0.500000 0.500000 0.750372 O\n0.240166 0.000000 0.025661 O\n0.246874 0.000000 0.479193 O\n0.253671 0.500000 0.021391 O\n0.254128 0.500000 0.477626 O\n0.759834 0.000000 0.025661 O\n0.753126 0.000000 0.479193 O\n0.746329 0.500000 0.021391 O\n0.745872 0.500000 0.477626 O\n0.000000 0.244433 0.026082 O\n0.000000 0.247134 0.479097 O\n0.000000 0.755567 0.026082 O\n0.000000 0.752866 0.479097 O\n0.500000 0.258672 0.028252 O\n0.500000 0.254593 0.477948 O\n0.500000 0.741328 0.028252 O\n0.500000 0.745407 0.477948 O\n","nsites":38,"nelements":4,"elements":["Ca","Mn","Cr","O"],"chemical_system":"Ca-Cr-Mn-O","density":4.084694493283396,"density_atomic":0.08449833441507297,"volume":449.7130063337851,"volume_molar":7.126934278275856,"formula_full":"Ca8 Mn6 Cr2 O22","formula_reduced":"Ca4Mn3CrO11","formula_anonymous":"AB3C4D11","energy":-293.69317712000003,"energy_per_atom":-7.728767818947369,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-264.57317712,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":25.9994779,"is_theoretical":true,"updated_at":"2021-11-28T01:36:27.532000Z","spacegroup":25},{"id":"mp-1182983","created_at":"2022-09-04T14:44:10.031179Z","structure_string":"Ag3 C6 N9\n1.0\n4.917950 0.000000 0.000000\n-2.458975 4.259068 0.000000\n0.000000 0.000000 11.057166\nAg C N\n3 6 9\ndirect\n0.000000 0.445063 0.666667 Ag\n0.445063 0.000000 0.333333 Ag\n0.554937 0.554937 0.000000 Ag\n0.027527 0.112476 0.295023 C\n0.972473 0.084949 0.038311 C\n0.887524 0.915051 0.628356 C\n0.112476 0.027527 0.704977 C\n0.915051 0.887524 0.371644 C\n0.084949 0.972473 0.961689 C\n0.722740 0.589811 0.408145 N\n0.471227 0.000000 0.833333 N\n0.589811 0.722740 0.591855 N\n0.000000 0.471227 0.166667 N\n0.528773 0.528773 0.500000 N\n0.132929 0.410189 0.258522 N\n0.867071 0.277260 0.074812 N\n0.410189 0.132929 0.741478 N\n0.277260 0.867071 0.925188 N\n","nsites":18,"nelements":3,"elements":["Ag","C","N"],"chemical_system":"Ag-C-N","density":3.7406893688085896,"density_atomic":0.07771949900270904,"volume":231.60211055108036,"volume_molar":7.748558389176039,"formula_full":"Ag3 C6 N9","formula_reduced":"AgC2N3","formula_anonymous":"AB2C3","energy":-122.08932777,"energy_per_atom":-6.782740431666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-118.84032777,"band_gap":0.5987,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006264,"is_theoretical":true,"updated_at":"2021-11-28T01:36:37.274000Z","spacegroup":152},{"id":"mp-757013","created_at":"2022-09-04T14:44:10.038004Z","structure_string":"Li8 Mn8 Si16 O48\n1.0\n5.154791 0.000000 0.000000\n0.000000 8.966275 0.000000\n0.000000 0.000000 18.607817\nLi Mn Si O\n8 8 16 48\ndirect\n0.632841 0.660665 0.122800 Li\n0.132841 0.839335 0.122800 Li\n0.132841 0.339335 0.377200 Li\n0.632841 0.160665 0.377200 Li\n0.367159 0.839335 0.622800 Li\n0.867159 0.660665 0.622800 Li\n0.367159 0.339335 0.877200 Li\n0.867159 0.160665 0.877200 Li\n0.638584 0.001896 0.123877 Mn\n0.138584 0.498104 0.123877 Mn\n0.138584 0.998104 0.376123 Mn\n0.638584 0.501896 0.376123 Mn\n0.361416 0.498104 0.623877 Mn\n0.861416 0.001896 0.623877 Mn\n0.361416 0.998104 0.876123 Mn\n0.861416 0.501896 0.876123 Mn\n0.710299 0.338210 0.027278 Si\n0.210299 0.161790 0.027278 Si\n0.437113 0.343077 0.228143 Si\n0.937113 0.156923 0.228143 Si\n0.437113 0.843077 0.271857 Si\n0.937113 0.656923 0.271857 Si\n0.710299 0.838210 0.472722 Si\n0.210299 0.661790 0.472722 Si\n0.789701 0.338210 0.527278 Si\n0.289701 0.161790 0.527278 Si\n0.062887 0.343077 0.728143 Si\n0.562887 0.156923 0.728143 Si\n0.062887 0.843077 0.771857 Si\n0.562887 0.656923 0.771857 Si\n0.789701 0.838210 0.972722 Si\n0.289701 0.661790 0.972722 Si\n0.900673 0.193909 0.053097 O\n0.400673 0.306091 0.053097 O\n0.798943 0.849651 0.059648 O\n0.298943 0.650349 0.059648 O\n0.826907 0.481372 0.069266 O\n0.326907 0.018628 0.069266 O\n0.455913 0.850334 0.185807 O\n0.955913 0.649666 0.185807 O\n0.934005 0.997025 0.186298 O\n0.434005 0.502975 0.186298 O\n0.159631 0.273503 0.196303 O\n0.659631 0.226497 0.196303 O\n0.159631 0.773503 0.303697 O\n0.659631 0.726497 0.303697 O\n0.934005 0.497025 0.313702 O\n0.434005 0.002975 0.313702 O\n0.455913 0.350334 0.314193 O\n0.955913 0.149666 0.314193 O\n0.826907 0.981372 0.430734 O\n0.326907 0.518628 0.430734 O\n0.798943 0.349651 0.440352 O\n0.298943 0.150349 0.440352 O\n0.400673 0.806091 0.446903 O\n0.900673 0.693909 0.446903 O\n0.099327 0.306091 0.553097 O\n0.599327 0.193909 0.553097 O\n0.701057 0.849651 0.559648 O\n0.201057 0.650349 0.559648 O\n0.673093 0.481372 0.569266 O\n0.173093 0.018628 0.569266 O\n0.044087 0.850334 0.685807 O\n0.544087 0.649666 0.685807 O\n0.565995 0.997025 0.686298 O\n0.065995 0.502975 0.686298 O\n0.340369 0.273503 0.696303 O\n0.840369 0.226497 0.696303 O\n0.340369 0.773503 0.803697 O\n0.840369 0.726497 0.803697 O\n0.565995 0.497025 0.813702 O\n0.065995 0.002975 0.813702 O\n0.044087 0.350334 0.814193 O\n0.544087 0.149666 0.814193 O\n0.673093 0.981372 0.930734 O\n0.173093 0.518628 0.930734 O\n0.701057 0.349651 0.940352 O\n0.201057 0.150349 0.940352 O\n0.099327 0.806091 0.946903 O\n0.599327 0.693909 0.946903 O\n","nsites":80,"nelements":4,"elements":["Li","Mn","Si","O"],"chemical_system":"Li-Mn-O-Si","density":3.306195732932983,"density_atomic":0.09301895245545606,"volume":860.039786389871,"volume_molar":6.474100816050169,"formula_full":"Li8 Mn8 Si16 O48","formula_reduced":"LiMn(SiO3)2","formula_anonymous":"ABC2D6","energy":-634.36331507,"energy_per_atom":-7.929541438375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-588.04331507,"band_gap":0.9723000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":32.0786028,"is_theoretical":true,"updated_at":"2021-11-28T01:36:34.685000Z","spacegroup":61},{"id":"mp-775307","created_at":"2022-09-04T14:44:10.040659Z","structure_string":"Co3 Ni1 P4 O16\n1.0\n5.830915 0.000000 0.000000\n0.000000 4.784442 0.000000\n0.000000 0.125640 9.909152\nCo Ni P O\n3 1 4 16\ndirect\n0.000000 0.055380 0.281112 Co\n0.000000 0.446159 0.777762 Co\n0.500000 0.553869 0.219834 Co\n0.500000 0.954885 0.724250 Ni\n0.500000 0.086028 0.404977 P\n0.500000 0.418144 0.904144 P\n0.000000 0.588157 0.095236 P\n0.000000 0.904400 0.597457 P\n0.500000 0.163780 0.552554 O\n0.295009 0.233547 0.326763 O\n0.704991 0.233547 0.326763 O\n0.000000 0.222846 0.613296 O\n0.000000 0.269547 0.115447 O\n0.291982 0.276341 0.829588 O\n0.708018 0.276341 0.829588 O\n0.500000 0.336087 0.055118 O\n0.000000 0.666269 0.945561 O\n0.794091 0.732028 0.171354 O\n0.205909 0.732028 0.171354 O\n0.500000 0.735274 0.891709 O\n0.500000 0.769170 0.384019 O\n0.794879 0.753772 0.668914 O\n0.205121 0.753772 0.668914 O\n0.000000 0.838631 0.444289 O\n","nsites":24,"nelements":4,"elements":["Co","Ni","P","O"],"chemical_system":"Co-Ni-O-P","density":3.6964673460737076,"density_atomic":0.08681739425401919,"volume":276.44229830001984,"volume_molar":6.936560134919284,"formula_full":"Co3 Ni1 P4 O16","formula_reduced":"Co3Ni(PO4)4","formula_anonymous":"AB3C4D16","energy":-176.23394256,"energy_per_atom":-7.34308094,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-157.78694256,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.0609152,"is_theoretical":true,"updated_at":"2021-11-28T01:36:32.632000Z","spacegroup":6},{"id":"mp-973631","created_at":"2022-09-04T14:44:43.946846Z","structure_string":"Lu2 Al1 Ru1\n1.0\n0.000000 3.431556 3.431556\n3.431556 0.000000 3.431556\n3.431556 3.431556 0.000000\nLu Al Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Ru\n","nsites":4,"nelements":3,"elements":["Lu","Al","Ru"],"chemical_system":"Al-Lu-Ru","density":9.821110270899691,"density_atomic":0.04949447522158036,"volume":80.81710094091346,"volume_molar":12.167298942032733,"formula_full":"Lu2 Al1 Ru1","formula_reduced":"Lu2AlRu","formula_anonymous":"ABC2","energy":-23.81634499,"energy_per_atom":-5.9540862475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.81634499,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0148232,"is_theoretical":true,"updated_at":"2021-11-28T01:36:44.962000Z","spacegroup":225},{"id":"mp-1194076","created_at":"2022-09-04T14:44:08.788943Z","structure_string":"Yb12 S18\n1.0\n3.515196 -6.486706 0.000000\n3.515196 6.486706 0.000000\n0.000000 0.000000 15.004023\nYb S\n12 18\ndirect\n0.024092 0.024092 0.010296 Yb\n0.975908 0.975908 0.510296 Yb\n0.976316 0.976316 0.231818 Yb\n0.023684 0.023684 0.731818 Yb\n0.667658 0.319988 0.002056 Yb\n0.319988 0.667658 0.002056 Yb\n0.332342 0.680012 0.502056 Yb\n0.680012 0.332342 0.502056 Yb\n0.675731 0.341747 0.233846 Yb\n0.341747 0.675731 0.233846 Yb\n0.324269 0.658253 0.733846 Yb\n0.658253 0.324269 0.733846 Yb\n0.340922 0.340922 0.117070 S\n0.017326 0.680897 0.122540 S\n0.680897 0.017326 0.122540 S\n0.659078 0.659078 0.617070 S\n0.982674 0.319103 0.622540 S\n0.319103 0.982674 0.622540 S\n0.331317 0.331317 0.448548 S\n0.884948 0.667499 0.372207 S\n0.667499 0.884948 0.372207 S\n0.668683 0.668683 0.948548 S\n0.115052 0.332501 0.872207 S\n0.332501 0.115052 0.872207 S\n0.322934 0.322934 0.308472 S\n0.018089 0.477486 0.364899 S\n0.477486 0.018089 0.364899 S\n0.677066 0.677066 0.808472 S\n0.981911 0.522514 0.864899 S\n0.522514 0.981911 0.864899 S\n","nsites":30,"nelements":2,"elements":["Yb","S"],"chemical_system":"S-Yb","density":6.439931710649156,"density_atomic":0.04384396049937154,"volume":684.2447547691322,"volume_molar":13.735394091704652,"formula_full":"Yb12 S18","formula_reduced":"Yb2S3","formula_anonymous":"A2B3","energy":-149.64299656,"energy_per_atom":-4.988099885333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.58899656,"band_gap":1.5713999999999997,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.001318,"is_theoretical":true,"updated_at":"2021-11-28T01:36:27.604000Z","spacegroup":36}]}