{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=10169","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=10167","results":[{"id":"mp-1643959","created_at":"2022-09-04T14:48:31.263317Z","structure_string":"Nb2 Co6 O16\n1.0\n5.727535 -0.009481 0.020156\n2.855886 5.006283 -0.091218\n0.030382 -0.189318 9.274032\nNb Co O\n2 6 16\ndirect\n0.681620 0.640328 0.503535 Nb\n0.330761 0.327644 0.994320 Nb\n0.170331 0.658932 0.713819 Co\n0.823731 0.344100 0.214689 Co\n0.170037 0.166112 0.712968 Co\n0.331248 0.841758 0.216221 Co\n0.665159 0.165550 0.714278 Co\n0.829166 0.836581 0.216159 Co\n0.329356 0.826063 0.600438 O\n0.153775 0.679895 0.101270 O\n0.526483 0.513544 0.334963 O\n0.477173 0.489336 0.824812 O\n0.690506 0.647690 0.111331 O\n0.344405 0.321540 0.611774 O\n0.972393 0.028308 0.308170 O\n0.992236 0.006550 0.810168 O\n0.840673 0.318167 0.604095 O\n0.656384 0.188516 0.094127 O\n0.531509 0.961999 0.334231 O\n0.036224 0.489110 0.826105 O\n0.964879 0.503744 0.338982 O\n0.481398 0.040617 0.827724 O\n0.155762 0.176583 0.098196 O\n0.844584 0.827540 0.603341 O\n","nsites":24,"nelements":3,"elements":["Nb","Co","O"],"chemical_system":"Co-Nb-O","density":4.964305160112237,"density_atomic":0.0902056531620818,"volume":266.0587131593263,"volume_molar":6.676012587791363,"formula_full":"Nb2 Co6 O16","formula_reduced":"NbCo3O8","formula_anonymous":"AB3C8","energy":-180.01012144,"energy_per_atom":-7.500421726666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.19012144,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0003842,"is_theoretical":true,"updated_at":"2021-11-28T01:39:55.974000Z","spacegroup":1},{"id":"mp-1047051","created_at":"2022-09-04T14:48:31.335177Z","structure_string":"Ti6 Zn2 P8 O28\n1.0\n7.891310 0.000000 0.000000\n0.000000 7.628516 0.000000\n0.000000 3.670323 9.067229\nTi Zn P O\n6 2 8 28\ndirect\n0.135395 0.815735 0.527153 Ti\n0.635395 0.184265 0.972847 Ti\n0.864605 0.184265 0.472847 Ti\n0.364605 0.815735 0.027153 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.950694 0.393480 0.698827 P\n0.450694 0.606520 0.801173 P\n0.049306 0.606520 0.301173 P\n0.549306 0.393480 0.198827 P\n0.205890 0.116697 0.690962 P\n0.705890 0.883303 0.809038 P\n0.794110 0.883303 0.309038 P\n0.294110 0.116697 0.190962 P\n0.377143 0.136324 0.616377 O\n0.877143 0.863676 0.883623 O\n0.622857 0.863676 0.383623 O\n0.122857 0.136324 0.116377 O\n0.391836 0.732968 0.641224 O\n0.891836 0.267032 0.858776 O\n0.608164 0.267032 0.358776 O\n0.108164 0.732968 0.141224 O\n0.835542 0.352233 0.589361 O\n0.335542 0.647767 0.910639 O\n0.164458 0.647767 0.410639 O\n0.664458 0.352233 0.089361 O\n0.140028 0.319466 0.677736 O\n0.640028 0.680534 0.822264 O\n0.859972 0.680534 0.322264 O\n0.359972 0.319466 0.177736 O\n0.521154 0.600623 0.170892 O\n0.021154 0.399377 0.329108 O\n0.478846 0.399377 0.829108 O\n0.978846 0.600623 0.670892 O\n0.790426 0.992431 0.139761 O\n0.290426 0.007569 0.360239 O\n0.209574 0.007569 0.860239 O\n0.709574 0.992431 0.639761 O\n0.422823 0.032956 0.111350 O\n0.922823 0.967044 0.388650 O\n0.577177 0.967044 0.888650 O\n0.077177 0.032956 0.611350 O\n","nsites":44,"nelements":4,"elements":["Ti","Zn","P","O"],"chemical_system":"O-P-Ti-Zn","density":3.3883631253648256,"density_atomic":0.08061000095440086,"volume":545.8379788990418,"volume_molar":7.470711684281681,"formula_full":"Ti6 Zn2 P8 O28","formula_reduced":"Ti3Zn(P2O7)2","formula_anonymous":"AB3C4D14","energy":-345.71426476,"energy_per_atom":-7.857142380909091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-326.47826476,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0000994,"is_theoretical":true,"updated_at":"2021-11-28T01:39:56.702000Z","spacegroup":14},{"id":"mp-1227234","created_at":"2022-09-04T14:48:31.232783Z","structure_string":"Ca1 Mn2 Cu3 Ru2 O12\n1.0\n3.705371 5.307717 0.000000\n-3.705371 5.307717 0.000000\n0.000000 5.297985 5.340155\nCa Mn Cu Ru O\n1 2 3 2 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n0.697789 0.314043 0.163440 O\n0.685957 0.302211 0.836560 O\n0.314043 0.697789 0.163440 O\n0.302211 0.685957 0.836560 O\n0.828601 0.828601 0.479691 O\n0.170964 0.170964 0.137783 O\n0.829036 0.829036 0.862217 O\n0.171399 0.171399 0.520309 O\n0.521009 0.861485 0.301305 O\n0.861485 0.521009 0.301305 O\n0.138515 0.478991 0.698695 O\n0.478991 0.138515 0.698695 O\n","nsites":20,"nelements":5,"elements":["Ca","Mn","Cu","Ru","O"],"chemical_system":"Ca-Cu-Mn-O-Ru","density":5.80831999219081,"density_atomic":0.09521528686521834,"volume":210.05030450951568,"volume_molar":6.324762502185831,"formula_full":"Ca1 Mn2 Cu3 Ru2 O12","formula_reduced":"CaMn2Cu3(RuO6)2","formula_anonymous":"AB2C2D3E12","energy":-142.97990726,"energy_per_atom":-7.148995363,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-131.39990726,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0472601,"is_theoretical":true,"updated_at":"2021-11-28T01:39:54.388000Z","spacegroup":12},{"id":"mp-23275","created_at":"2022-09-04T14:48:31.237958Z","structure_string":"Ti2 Cl6\n1.0\n6.545849 -3.056909 0.000000\n6.545849 3.056909 0.000000\n5.118274 0.000000 5.098638\nTi Cl\n2 6\ndirect\n0.666572 0.666572 0.666572 Ti\n0.333428 0.333428 0.333428 Ti\n0.925814 0.572652 0.278420 Cl\n0.278420 0.925814 0.572652 Cl\n0.427348 0.721580 0.074186 Cl\n0.721580 0.074186 0.427348 Cl\n0.074186 0.427348 0.721580 Cl\n0.572652 0.278420 0.925814 Cl\n","nsites":8,"nelements":2,"elements":["Ti","Cl"],"chemical_system":"Cl-Ti","density":2.510175119475106,"density_atomic":0.03920643187777129,"volume":204.0481527352589,"volume_molar":15.36008371987135,"formula_full":"Ti2 Cl6","formula_reduced":"TiCl3","formula_anonymous":"AB3","energy":-43.22890706,"energy_per_atom":-5.4036133825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.54490706,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9998,"is_theoretical":false,"updated_at":"2021-11-28T01:40:00.435000Z","spacegroup":148},{"id":"mp-1177614","created_at":"2022-09-04T14:48:31.242871Z","structure_string":"Li12 Mn4 V4 P12 O48\n1.0\n9.794121 0.000000 0.000000\n0.303923 9.821671 0.000000\n0.805964 0.787677 9.839046\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.249575 0.513143 0.980787 Li\n0.387691 0.259157 0.009149 Li\n0.475116 0.569031 0.770688 Li\n0.176104 0.731868 0.776401 Li\n0.612151 0.968960 0.753418 Li\n0.832622 0.746516 0.621082 Li\n0.733695 0.015821 0.489455 Li\n0.533132 0.233296 0.439669 Li\n0.975447 0.916673 0.312792 Li\n0.824521 0.225814 0.268186 Li\n0.183102 0.375558 0.246204 Li\n0.016023 0.671876 0.087953 Li\n0.994285 0.468578 0.523639 Mn\n0.510115 0.533110 0.469390 Mn\n0.492909 0.756445 0.249585 Mn\n0.720177 0.741308 0.028634 Mn\n0.786967 0.250562 0.970390 V\n0.006140 0.249960 0.748582 V\n0.219962 0.026787 0.751248 V\n0.276754 0.967120 0.252249 V\n0.404920 0.823513 0.950267 P\n0.897841 0.947086 0.826095 P\n0.934152 0.550888 0.842546 P\n0.307648 0.343246 0.679458 P\n0.701937 0.327081 0.661237 P\n0.424105 0.838497 0.555602 P\n0.066608 0.150012 0.450629 P\n0.797710 0.678024 0.347261 P\n0.195088 0.650157 0.312439 P\n0.578432 0.447107 0.158588 P\n0.590102 0.054505 0.185942 P\n0.097703 0.172713 0.051607 P\n0.853117 0.874953 0.967859 O\n0.562880 0.827024 0.916888 O\n0.796055 0.608426 0.899337 O\n0.343566 0.959054 0.887777 O\n0.343428 0.696053 0.901298 O\n0.930835 0.389386 0.874574 O\n0.058777 0.602030 0.907948 O\n0.124640 0.161694 0.892298 O\n0.874682 0.106077 0.836172 O\n0.676242 0.305939 0.818415 O\n0.052768 0.910071 0.798596 O\n0.356672 0.408182 0.801767 O\n0.810288 0.908147 0.714959 O\n0.946920 0.590093 0.686510 O\n0.329774 0.185597 0.686278 O\n0.149759 0.379140 0.671319 O\n0.286676 0.874853 0.636135 O\n0.547601 0.914380 0.591554 O\n0.867644 0.333531 0.622340 O\n0.639880 0.468057 0.619584 O\n0.441398 0.678891 0.588485 O\n0.654852 0.207417 0.589229 O\n0.073403 0.120702 0.609993 O\n0.382864 0.392827 0.539567 O\n0.841332 0.797487 0.423714 O\n0.133312 0.591746 0.452763 O\n0.854912 0.538318 0.398412 O\n0.405467 0.873359 0.399426 O\n0.634348 0.670935 0.374629 O\n0.936205 0.090319 0.404348 O\n0.072131 0.306239 0.409475 O\n0.199062 0.081228 0.389784 O\n0.354918 0.628187 0.319269 O\n0.151726 0.804438 0.293509 O\n0.560056 0.416466 0.317987 O\n0.648625 0.109632 0.309671 O\n0.839280 0.703655 0.192457 O\n0.620308 0.894639 0.187038 O\n0.151982 0.573086 0.194535 O\n0.433028 0.087147 0.180950 O\n0.590817 0.609031 0.122078 O\n0.369966 0.829541 0.109578 O\n0.716312 0.376377 0.115692 O\n0.942512 0.205573 0.091059 O\n0.454239 0.405513 0.091676 O\n0.131434 0.033601 0.125803 O\n0.190098 0.287325 0.083626 O\n0.660476 0.112027 0.049666 O\n","nsites":80,"nelements":5,"elements":["Li","Mn","V","P","O"],"chemical_system":"Li-Mn-O-P-V","density":2.8886715492142545,"density_atomic":0.08452518860826685,"volume":946.4634308094962,"volume_molar":7.124670005659134,"formula_full":"Li12 Mn4 V4 P12 O48","formula_reduced":"Li3MnV(PO4)3","formula_anonymous":"ABC3D3E12","energy":-606.93067615,"energy_per_atom":-7.586633451875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-560.48267615,"band_gap":0.5481,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":24.0002879,"is_theoretical":true,"updated_at":"2021-11-28T01:39:59.678000Z","spacegroup":1},{"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-1225624","created_at":"2022-09-04T14:48:31.266068Z","structure_string":"Eu2 Mg1 Ga3\n1.0\n2.354877 5.471975 0.000000\n-2.354877 5.471975 0.000000\n0.000000 5.276825 5.543341\nEu Mg Ga\n2 1 3\ndirect\n0.953300 0.953300 0.798477 Eu\n0.045785 0.045785 0.201664 Eu\n0.336237 0.336237 0.597836 Mg\n0.669248 0.669248 0.397725 Ga\n0.654176 0.654176 0.788965 Ga\n0.341253 0.341253 0.215334 Ga\n","nsites":6,"nelements":3,"elements":["Eu","Mg","Ga"],"chemical_system":"Eu-Ga-Mg","density":6.246467036902943,"density_atomic":0.041998843058190294,"volume":142.86107814176862,"volume_molar":14.338825361584831,"formula_full":"Eu2 Mg1 Ga3","formula_reduced":"Eu2MgGa3","formula_anonymous":"AB2C3","energy":-33.90251361,"energy_per_atom":-5.650418935,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.90251361,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9671323,"is_theoretical":true,"updated_at":"2021-11-28T01:40:00.386000Z","spacegroup":8},{"id":"mp-1194736","created_at":"2022-09-04T14:48:31.292441Z","structure_string":"Na10 Mn6 S8 O32 F8\n1.0\n-0.010283 -0.013886 9.106094\n6.341506 6.759796 -1.357578\n-7.035408 6.754993 0.256764\nNa Mn S O F\n10 6 8 32 8\ndirect\n0.000000 0.250000 0.750001 Na\n0.999999 0.750000 0.250000 Na\n0.018109 0.851308 0.886809 Na\n0.018110 0.351308 0.386809 Na\n0.981891 0.148693 0.113190 Na\n0.981890 0.648691 0.613188 Na\n0.339361 0.377156 0.116905 Na\n0.339364 0.877152 0.616904 Na\n0.660636 0.622846 0.883093 Na\n0.660637 0.122847 0.383094 Na\n0.000043 0.499961 0.000021 Mn\n0.357011 0.283738 0.555734 Mn\n0.642980 0.716258 0.444274 Mn\n0.999997 0.000034 0.499964 Mn\n0.357022 0.783743 0.055731 Mn\n0.642986 0.216245 0.944291 Mn\n0.298184 0.588954 0.366296 S\n0.298186 0.088954 0.866290 S\n0.701814 0.411045 0.633704 S\n0.701814 0.911046 0.133709 S\n0.280621 0.546533 0.798714 S\n0.280621 0.046546 0.298721 S\n0.719373 0.453461 0.201289 S\n0.719376 0.953456 0.701279 S\n0.217487 0.661984 0.729660 O\n0.217490 0.161977 0.229662 O\n0.782512 0.338019 0.270337 O\n0.782510 0.838024 0.770337 O\n0.315152 0.434558 0.392935 O\n0.315156 0.934551 0.892944 O\n0.684847 0.565443 0.607064 O\n0.684844 0.065450 0.107056 O\n0.337142 0.618326 0.218335 O\n0.337142 0.118318 0.718340 O\n0.662859 0.381674 0.781666 O\n0.662858 0.881683 0.281660 O\n0.599500 0.811706 0.047484 O\n0.599507 0.311701 0.547486 O\n0.400497 0.188295 0.952515 O\n0.400491 0.688300 0.452515 O\n0.349724 0.453776 0.704118 O\n0.349729 0.953762 0.204104 O\n0.650275 0.546225 0.295881 O\n0.650270 0.046238 0.795894 O\n0.154446 0.445505 0.873522 O\n0.154448 0.945497 0.373519 O\n0.845547 0.554502 0.126482 O\n0.845550 0.054504 0.626482 O\n0.388944 0.605552 0.904137 O\n0.388944 0.105543 0.404132 O\n0.611057 0.394450 0.095860 O\n0.611055 0.894458 0.595866 O\n0.141324 0.107808 0.898403 O\n0.141323 0.607814 0.398404 O\n0.858676 0.892192 0.101596 O\n0.858676 0.392187 0.601597 O\n0.918552 0.601265 0.859343 F\n0.918555 0.101257 0.359350 F\n0.081439 0.398744 0.140647 F\n0.081448 0.898737 0.640657 F\n0.121597 0.709756 0.047482 F\n0.121587 0.209755 0.547485 F\n0.878401 0.290244 0.952517 F\n0.878411 0.790245 0.452515 F\n","nsites":64,"nelements":5,"elements":["Na","Mn","S","O","F"],"chemical_system":"F-Mn-Na-O-S","density":2.9864606998208867,"density_atomic":0.07777174802165264,"volume":822.9209401617356,"volume_molar":7.7433527125086075,"formula_full":"Na10 Mn6 S8 O32 F8","formula_reduced":"Na5Mn3S4(O4F)4","formula_anonymous":"A3B4C4D5E16","energy":-421.80205782,"energy_per_atom":-6.5906571534375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-386.11405782,"band_gap":1.7777,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:39:57.731000Z","spacegroup":2},{"id":"mp-779485","created_at":"2022-09-04T14:48:31.319466Z","structure_string":"Li2 V4 P8 H4 O32\n1.0\n7.891227 0.000000 0.000000\n0.000000 7.757700 0.000000\n0.000000 3.846023 8.966271\nLi V P H O\n2 4 8 4 32\ndirect\n0.130774 0.401088 0.726146 Li\n0.630774 0.598912 0.273854 Li\n0.504937 0.245271 0.752738 V\n0.993113 0.762591 0.748768 V\n0.493113 0.237409 0.251232 V\n0.004937 0.754729 0.247262 V\n0.154913 0.017366 0.930897 P\n0.349628 0.516290 0.928332 P\n0.641050 0.977232 0.570104 P\n0.141050 0.022768 0.429896 P\n0.843908 0.487874 0.568754 P\n0.343908 0.512126 0.431246 P\n0.654913 0.982634 0.069103 P\n0.849628 0.483710 0.071668 P\n0.488472 0.740588 0.987595 H\n0.493248 0.735510 0.489188 H\n0.993248 0.264490 0.510812 H\n0.988472 0.259412 0.012405 H\n0.056845 0.195801 0.904656 O\n0.671907 0.114128 0.903586 O\n0.329763 0.063056 0.857987 O\n0.055837 0.898190 0.854378 O\n0.444532 0.698547 0.903655 O\n0.837025 0.611211 0.901227 O\n0.172243 0.565195 0.853409 O\n0.442988 0.400715 0.854471 O\n0.558172 0.094825 0.647271 O\n0.825923 0.925466 0.639572 O\n0.159464 0.888545 0.598856 O\n0.548439 0.799945 0.591094 O\n0.947281 0.596704 0.645834 O\n0.669748 0.433174 0.639261 O\n0.048439 0.200055 0.408906 O\n0.659464 0.111455 0.401144 O\n0.324665 0.389347 0.599518 O\n0.952391 0.309959 0.597569 O\n0.325923 0.074534 0.360428 O\n0.058172 0.905175 0.352729 O\n0.452391 0.690041 0.402431 O\n0.824665 0.610653 0.400482 O\n0.169748 0.566826 0.360739 O\n0.447281 0.403296 0.354166 O\n0.555837 0.101810 0.145622 O\n0.829763 0.936944 0.142013 O\n0.171907 0.885872 0.096414 O\n0.556845 0.804199 0.095344 O\n0.942988 0.599285 0.145529 O\n0.672243 0.434805 0.146591 O\n0.337025 0.388789 0.098773 O\n0.944532 0.301453 0.096345 O\n","nsites":50,"nelements":5,"elements":["Li","V","P","H","O"],"chemical_system":"H-Li-O-P-V","density":2.969122996377117,"density_atomic":0.09109208147554124,"volume":548.8951310595015,"volume_molar":6.6110474834379325,"formula_full":"Li2 V4 P8 H4 O32","formula_reduced":"LiV2P4(HO8)2","formula_anonymous":"AB2C2D4E16","energy":-375.44938493,"energy_per_atom":-7.5089876986,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-346.66538493,"band_gap":0.6496999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9995224,"is_theoretical":true,"updated_at":"2021-11-28T01:39:57.044000Z","spacegroup":4},{"id":"mp-1276017","created_at":"2022-09-04T14:48:31.270684Z","structure_string":"Sr4 Y4 Co4 O16\n1.0\n-3.754474 3.761174 0.003377\n-1.879605 1.883055 6.245512\n7.707212 7.714998 0.003233\nSr Y Co O\n4 4 4 16\ndirect\n0.856018 0.291797 0.254897 Sr\n0.360839 0.291372 0.495825 Sr\n0.851746 0.294061 0.750404 Sr\n0.346095 0.294083 0.999217 Sr\n0.657672 0.718618 0.512728 Y\n0.154118 0.717717 0.737151 Y\n0.620256 0.716131 0.011887 Y\n0.124976 0.716593 0.238645 Y\n0.993966 0.000983 0.000917 Co\n0.502625 0.996839 0.251582 Co\n0.006773 0.995526 0.498433 Co\n0.496097 0.004028 0.750492 Co\n0.710672 0.663666 0.212020 O\n0.144381 0.663875 0.536200 O\n0.628247 0.672906 0.720003 O\n0.194203 0.672925 0.030440 O\n0.818236 0.370275 0.483867 O\n0.319060 0.358589 0.765443 O\n0.814759 0.361651 0.983376 O\n0.320594 0.368683 0.266715 O\n0.289816 0.925179 0.376262 O\n0.756787 0.009579 0.624342 O\n0.248654 0.968189 0.876590 O\n0.742759 0.015520 0.121948 O\n0.774742 0.953698 0.373427 O\n0.247849 0.013704 0.623442 O\n0.764735 0.935583 0.873096 O\n0.253320 0.008230 0.130649 O\n","nsites":28,"nelements":4,"elements":["Sr","Y","Co","O"],"chemical_system":"Co-O-Sr-Y","density":5.496797337206151,"density_atomic":0.07737928511722189,"volume":361.85395041557695,"volume_molar":7.782626514159518,"formula_full":"Sr4 Y4 Co4 O16","formula_reduced":"SrYCoO4","formula_anonymous":"ABCD4","energy":-216.57522153,"energy_per_atom":-7.734829340357143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-199.03122153,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.47e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:56.423000Z","spacegroup":1},{"id":"mp-1196378","created_at":"2022-09-04T14:48:31.333928Z","structure_string":"V2 H24 S2 O22\n1.0\n6.225538 0.000000 0.000000\n-0.782605 7.520577 0.000000\n-2.019147 -0.487686 10.038561\nV H S O\n2 24 2 22\ndirect\n0.929729 0.731421 0.718020 V\n0.070271 0.268579 0.281980 V\n0.011584 0.047490 0.849755 H\n0.988416 0.952510 0.150245 H\n0.741350 0.005638 0.808790 H\n0.258650 0.994362 0.191210 H\n0.294420 0.744320 0.912638 H\n0.705580 0.255680 0.087362 H\n0.344296 0.874921 0.795483 H\n0.655704 0.125079 0.204517 H\n0.517849 0.557270 0.689132 H\n0.482151 0.442730 0.310868 H\n0.500131 0.710860 0.577999 H\n0.499869 0.289140 0.422001 H\n0.824962 0.691020 0.970502 H\n0.175038 0.308980 0.029498 H\n0.806912 0.493254 0.909021 H\n0.193088 0.506746 0.090979 H\n0.867958 0.382518 0.619216 H\n0.132042 0.617482 0.380784 H\n0.125429 0.430545 0.697032 H\n0.874571 0.569455 0.302968 H\n0.604697 0.143944 0.610464 H\n0.395303 0.856056 0.389536 H\n0.770391 0.124660 0.508894 H\n0.229609 0.875340 0.491106 H\n0.563498 0.766984 0.170177 S\n0.436502 0.233016 0.829823 S\n0.966004 0.833651 0.583266 O\n0.033996 0.166349 0.416734 O\n0.883899 0.952822 0.827507 O\n0.116101 0.047178 0.172493 O\n0.255280 0.764846 0.814887 O\n0.744720 0.235154 0.185113 O\n0.598040 0.660741 0.654351 O\n0.401960 0.339259 0.345649 O\n0.873214 0.617152 0.902684 O\n0.126786 0.382848 0.097316 O\n0.976879 0.475490 0.673253 O\n0.023121 0.524510 0.326747 O\n0.676401 0.204489 0.542862 O\n0.323599 0.795511 0.457138 O\n0.623721 0.629154 0.268122 O\n0.376279 0.370846 0.731878 O\n0.359597 0.699618 0.072299 O\n0.640403 0.300382 0.927701 O\n0.747319 0.818058 0.101223 O\n0.252681 0.181942 0.898777 O\n0.516515 0.929906 0.245136 O\n0.483485 0.070094 0.754864 O\n","nsites":50,"nelements":4,"elements":["V","H","S","O"],"chemical_system":"H-O-S-V","density":1.9155847733622098,"density_atomic":0.10638257333537333,"volume":470.00179101114554,"volume_molar":5.660833885842442,"formula_full":"V2 H24 S2 O22","formula_reduced":"VH12SO11","formula_anonymous":"ABC11D12","energy":-292.25769464,"energy_per_atom":-5.8451538928,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-273.74369464,"band_gap":3.0716,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0009334,"is_theoretical":false,"updated_at":"2021-11-28T01:39:53.117000Z","spacegroup":2},{"id":"mp-1221801","created_at":"2022-09-04T14:48:31.341906Z","structure_string":"Na4 H24 S2 O22\n1.0\n7.180664 0.001580 0.000000\n0.001580 7.180664 0.000000\n3.591122 3.591122 11.254961\nNa H S O\n4 24 2 22\ndirect\n0.259868 0.008025 0.482193 Na\n0.508025 0.759868 0.982193 Na\n0.742062 0.990218 0.517807 Na\n0.490218 0.242062 0.017807 Na\n0.998676 0.654811 0.567491 H\n0.998681 0.276179 0.567529 H\n0.154811 0.498676 0.067491 H\n0.163891 0.938245 0.065260 H\n0.438245 0.663891 0.565260 H\n0.437005 0.270230 0.564978 H\n0.776179 0.498681 0.067529 H\n0.770230 0.937005 0.064978 H\n0.001983 0.335208 0.435022 H\n0.003505 0.729151 0.434740 H\n0.835208 0.501983 0.935022 H\n0.843707 0.066210 0.932471 H\n0.566210 0.343707 0.432471 H\n0.566167 0.722302 0.432509 H\n0.229151 0.503505 0.934740 H\n0.222302 0.066167 0.932509 H\n0.145038 0.764849 0.747494 H\n0.145130 0.986945 0.747550 H\n0.264849 0.645038 0.247494 H\n0.486945 0.645130 0.247550 H\n0.892680 0.234495 0.252450 H\n0.892531 0.012343 0.252506 H\n0.734495 0.392680 0.752450 H\n0.512343 0.392531 0.752506 H\n0.124140 0.374140 0.750000 S\n0.874140 0.624140 0.250000 S\n0.001308 0.775479 0.502654 O\n0.000426 0.220749 0.502772 O\n0.275479 0.501308 0.002654 O\n0.278133 0.003962 0.997346 O\n0.503962 0.778133 0.497346 O\n0.503197 0.223521 0.497228 O\n0.720749 0.500426 0.002772 O\n0.723521 0.003197 0.997228 O\n0.369856 0.119856 0.250000 O\n0.619856 0.869856 0.750000 O\n0.992051 0.411943 0.673060 O\n0.911943 0.492051 0.173060 O\n0.911943 0.832990 0.173076 O\n0.332990 0.411943 0.673076 O\n0.006066 0.585019 0.326924 O\n0.085019 0.506066 0.826924 O\n0.085004 0.165112 0.826940 O\n0.665112 0.585004 0.326940 O\n0.188828 0.901357 0.696295 O\n0.401357 0.688828 0.196295 O\n0.597652 0.385123 0.803705 O\n0.885123 0.097652 0.303705 O\n","nsites":52,"nelements":4,"elements":["Na","H","S","O"],"chemical_system":"H-Na-O-S","density":1.523017855277064,"density_atomic":0.08960456980492008,"volume":580.3275448251161,"volume_molar":6.720796465080882,"formula_full":"Na4 H24 S2 O22","formula_reduced":"Na2H12SO11","formula_anonymous":"AB2C11D12","energy":-275.69378977,"energy_per_atom":-5.301803649423078,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-260.57978977,"band_gap":0.4683999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9986687,"is_theoretical":true,"updated_at":"2021-11-28T01:39:52.972000Z","spacegroup":43}]}