{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=21","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=19","results":[{"id":"mp-1093890","created_at":"2022-09-04T14:39:08.056701Z","structure_string":"Li2 Tl1 Cd1\n1.0\n-5.758943 5.879143 8.366931\n5.758943 -5.879143 8.366931\n5.758943 5.879143 -8.366931\nLi Tl Cd\n2 1 1\ndirect\n0.000000 0.251342 0.251342 Li\n0.000000 0.748658 0.748658 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n","nsites":4,"nelements":3,"elements":["Li","Tl","Cd"],"chemical_system":"Cd-Li-Tl","density":0.484584127087973,"density_atomic":0.0035300187215037567,"volume":1133.1384662730727,"volume_molar":170.59798361167392,"formula_full":"Li2 Tl1 Cd1","formula_reduced":"Li2TlCd","formula_anonymous":"ABC2","energy":-3.67880785,"energy_per_atom":-0.9197019625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.67880785,"band_gap":0.0275000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.0002229,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.208000Z","spacegroup":71},{"id":"mp-9587","created_at":"2022-09-04T14:39:08.969694Z","structure_string":"Ta2 Mo2 N2\n1.0\n3.094669 0.000000 0.000000\n0.000000 3.094669 0.000000\n0.000000 0.000000 7.865992\nTa Mo N\n2 2 2\ndirect\n0.000000 0.500000 0.664771 Ta\n0.500000 0.000000 0.335229 Ta\n0.500000 0.000000 0.902629 Mo\n0.000000 0.500000 0.097371 Mo\n0.000000 0.500000 0.376410 N\n0.500000 0.000000 0.623590 N\n","nsites":6,"nelements":3,"elements":["Ta","Mo","N"],"chemical_system":"Mo-N-Ta","density":12.824274730004863,"density_atomic":0.07964698509922993,"volume":75.33241832725707,"volume_molar":7.561040449299097,"formula_full":"Ta2 Mo2 N2","formula_reduced":"TaMoN","formula_anonymous":"ABC","energy":-67.37743850999999,"energy_per_atom":-11.229573084999998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.65543851,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0062083,"is_theoretical":false,"updated_at":"2021-11-28T01:34:35.435000Z","spacegroup":129},{"id":"mp-865219","created_at":"2022-09-04T14:39:09.652381Z","structure_string":"Dy2 Ir1 Ru1\n1.0\n0.000000 3.414329 3.414329\n3.414329 0.000000 3.414329\n3.414329 3.414329 0.000000\nDy Ir Ru\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Dy\n0.250000 0.250000 0.250000 Dy\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ru\n","nsites":4,"nelements":3,"elements":["Dy","Ir","Ru"],"chemical_system":"Dy-Ir-Ru","density":12.897131161851231,"density_atomic":0.050247434789145486,"volume":79.60605385698386,"volume_molar":11.984971541872444,"formula_full":"Dy2 Ir1 Ru1","formula_reduced":"Dy2IrRu","formula_anonymous":"ABC2","energy":-29.78766805,"energy_per_atom":-7.4469170125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.78766805,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0064164,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.232000Z","spacegroup":225},{"id":"mp-1201034","created_at":"2022-09-04T14:39:06.775378Z","structure_string":"Zr10 Ga20 Co10\n1.0\n-6.163745 6.163745 4.084733\n6.163745 -6.163745 4.084733\n6.163745 6.163745 -4.084733\nZr Ga Co\n10 20 10\ndirect\n0.123639 0.406467 0.282828 Zr\n0.123639 0.840811 0.717172 Zr\n0.406467 0.123639 0.282828 Zr\n0.840811 0.123639 0.717172 Zr\n0.836017 0.433589 0.000000 Zr\n0.433589 0.836017 0.000000 Zr\n0.836017 0.836017 0.402428 Zr\n0.433589 0.433589 0.597572 Zr\n0.054170 0.054170 0.000000 Zr\n0.512419 0.512419 0.000000 Zr\n0.526543 0.737998 0.492929 Ga\n0.245069 0.033614 0.507071 Ga\n0.526543 0.033614 0.788546 Ga\n0.245069 0.737998 0.211454 Ga\n0.737998 0.526543 0.492929 Ga\n0.033614 0.245069 0.507071 Ga\n0.033614 0.526543 0.788546 Ga\n0.737998 0.245069 0.211454 Ga\n0.796411 0.958119 0.161709 Ga\n0.796411 0.634702 0.838291 Ga\n0.958119 0.796411 0.161709 Ga\n0.634702 0.796411 0.838291 Ga\n0.647689 0.030354 0.382665 Ga\n0.647689 0.265024 0.617335 Ga\n0.030354 0.647689 0.382665 Ga\n0.265024 0.647689 0.617335 Ga\n0.422018 0.156021 0.000000 Ga\n0.156021 0.422018 0.000000 Ga\n0.422018 0.422018 0.265997 Ga\n0.156021 0.156021 0.734003 Ga\n0.484116 0.700417 0.216301 Co\n0.484116 0.267816 0.783699 Co\n0.700417 0.484116 0.216301 Co\n0.267816 0.484116 0.783699 Co\n0.140587 0.816480 0.000000 Co\n0.816480 0.140587 0.000000 Co\n0.140587 0.140587 0.324107 Co\n0.816480 0.816480 0.675893 Co\n0.897061 0.397061 0.500000 Co\n0.397061 0.897061 0.500000 Co\n","nsites":40,"nelements":3,"elements":["Zr","Ga","Co"],"chemical_system":"Co-Ga-Zr","density":7.74710521953893,"density_atomic":0.06443873401426642,"volume":620.7446594333185,"volume_molar":9.345529287814264,"formula_full":"Zr10 Ga20 Co10","formula_reduced":"ZrGa2Co","formula_anonymous":"ABC2","energy":-238.66033487000004,"energy_per_atom":-5.966508371750001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-238.66033487000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0312988,"is_theoretical":false,"updated_at":"2021-11-28T01:34:43.466000Z","spacegroup":107},{"id":"mp-1033361","created_at":"2022-09-04T14:39:06.775691Z","structure_string":"Mg6 Cr1 Bi1 O8\n1.0\n8.918617 0.000000 0.000000\n0.000000 4.550666 0.000000\n0.000000 0.000000 4.550666\nMg Cr Bi O\n6 1 1 8\ndirect\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.232733 -0.000000 0.500000 Mg\n0.767267 0.000000 0.500000 Mg\n0.232733 0.500000 0.000000 Mg\n0.767267 0.500000 -0.000000 Mg\n0.000000 -0.000000 0.000000 Cr\n0.500000 -0.000000 0.000000 Bi\n0.228496 0.000000 -0.000000 O\n0.771504 -0.000000 0.000000 O\n0.248152 0.500000 0.500000 O\n0.751848 0.500000 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":16,"nelements":4,"elements":["Mg","Cr","Bi","O"],"chemical_system":"Bi-Cr-Mg-O","density":4.808331926124062,"density_atomic":0.08663084411265784,"volume":184.69172456859624,"volume_molar":6.951497265995231,"formula_full":"Mg6 Cr1 Bi1 O8","formula_reduced":"Mg6CrBiO8","formula_anonymous":"ABC6D8","energy":-100.64881762,"energy_per_atom":-6.29055110125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.15381762,"band_gap":1.7195999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.4376266,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.198000Z","spacegroup":123},{"id":"mp-14324","created_at":"2022-09-04T14:39:06.782002Z","structure_string":"K4 Na8 Be4 O10\n1.0\n5.997685 0.000000 0.000000\n0.000000 5.997685 0.000000\n0.000000 0.000000 10.120441\nK Na Be O\n4 8 4 10\ndirect\n0.319739 0.319739 0.000000 K\n0.180261 0.819739 0.500000 K\n0.819739 0.180261 0.500000 K\n0.680261 0.680261 0.000000 K\n0.500000 0.000000 0.750000 Na\n0.500000 0.000000 0.250000 Na\n0.000000 0.500000 0.750000 Na\n0.000000 0.500000 0.250000 Na\n0.000000 0.000000 0.225599 Na\n0.500000 0.500000 0.725599 Na\n0.500000 0.500000 0.274401 Na\n0.000000 0.000000 0.774401 Na\n0.686973 0.686973 0.500000 Be\n0.313027 0.313027 0.500000 Be\n0.813027 0.186973 0.000000 Be\n0.186973 0.813027 0.000000 Be\n0.226349 0.226349 0.363203 O\n0.273651 0.726349 0.863203 O\n0.773651 0.773651 0.636797 O\n0.726349 0.273651 0.136797 O\n0.273651 0.726349 0.136797 O\n0.226349 0.226349 0.636797 O\n0.773651 0.773651 0.363203 O\n0.000000 0.000000 0.000000 O\n0.726349 0.273651 0.863203 O\n0.500000 0.500000 0.500000 O\n","nsites":26,"nelements":4,"elements":["K","Na","Be","O"],"chemical_system":"Be-K-Na-O","density":2.4464364850752065,"density_atomic":0.07141782257798827,"volume":364.0547843867404,"volume_molar":8.432265984340003,"formula_full":"K4 Na8 Be4 O10","formula_reduced":"K2Na4Be2O5","formula_anonymous":"A2B2C4D5","energy":-131.95558339,"energy_per_atom":-5.07521474576923,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-125.08558338999998,"band_gap":2.6225,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:33.507000Z","spacegroup":136},{"id":"mp-1044303","created_at":"2022-09-04T14:39:06.783087Z","structure_string":"Mg2 Ti2 Cr2 P6 O24\n1.0\n7.372582 -4.298358 0.000000\n7.372582 4.298358 0.000000\n4.866556 0.000000 7.010526\nMg Ti Cr P O\n2 2 2 6 24\ndirect\n0.001515 0.001515 0.001515 Mg\n0.501515 0.501515 0.501515 Mg\n0.855667 0.855667 0.855667 Ti\n0.355667 0.355667 0.355667 Ti\n0.642243 0.642243 0.642243 Cr\n0.142243 0.142243 0.142243 Cr\n0.954935 0.543074 0.249487 P\n0.543074 0.249487 0.954935 P\n0.249487 0.954935 0.543074 P\n0.749487 0.043074 0.454935 P\n0.454935 0.749487 0.043074 P\n0.043074 0.454935 0.749487 P\n0.887012 0.493807 0.686200 O\n0.686200 0.887012 0.493807 O\n0.945662 0.741187 0.087116 O\n0.493807 0.686200 0.887012 O\n0.993807 0.387012 0.186200 O\n0.758949 0.560941 0.411040 O\n0.741187 0.087116 0.945662 O\n0.560941 0.411040 0.758949 O\n0.813275 0.997842 0.620051 O\n0.411040 0.758949 0.560941 O\n0.911040 0.060941 0.258949 O\n0.620051 0.813275 0.997842 O\n0.387012 0.186200 0.993807 O\n0.087116 0.945662 0.741187 O\n0.587116 0.241187 0.445662 O\n0.186200 0.993807 0.387012 O\n0.445662 0.587116 0.241187 O\n0.258949 0.911040 0.060941 O\n0.241187 0.445662 0.587116 O\n0.997842 0.620051 0.813275 O\n0.497842 0.313275 0.120051 O\n0.060941 0.258949 0.911040 O\n0.313275 0.120051 0.497842 O\n0.120052 0.497842 0.313275 O\n","nsites":36,"nelements":5,"elements":["Mg","Ti","Cr","P","O"],"chemical_system":"Cr-Mg-O-P-Ti","density":3.057643621328615,"density_atomic":0.08102139289501278,"volume":444.3270932980462,"volume_molar":7.432778609229129,"formula_full":"Mg2 Ti2 Cr2 P6 O24","formula_reduced":"MgTiCr(PO4)3","formula_anonymous":"ABCD3E12","energy":-293.88695384,"energy_per_atom":-8.163526495555555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-273.40095384,"band_gap":2.3987000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9994382,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.757000Z","spacegroup":161},{"id":"mp-619775","created_at":"2022-09-04T14:39:06.789148Z","structure_string":"Y14 C4 I24 N2\n1.0\n9.939863 0.000000 0.000000\n-4.110917 9.783754 0.000000\n-0.888017 -4.059503 16.512967\nY C I N\n14 4 24 2\ndirect\n0.281998 0.242423 0.350444 Y\n0.718002 0.757577 0.649556 Y\n0.935412 0.570856 0.736826 Y\n0.480028 0.566621 0.320932 Y\n0.132436 0.116104 0.143783 Y\n0.337278 0.455741 0.113576 Y\n0.662722 0.544259 0.886424 Y\n0.545384 0.252403 0.190718 Y\n0.640376 0.452042 0.480584 Y\n0.064588 0.429144 0.263174 Y\n0.519972 0.433379 0.679068 Y\n0.454616 0.747597 0.809282 Y\n0.359624 0.547958 0.519416 Y\n0.867564 0.883896 0.856217 Y\n0.755106 0.638796 0.766148 C\n0.362702 0.319633 0.216024 C\n0.637298 0.680367 0.783976 C\n0.244894 0.361204 0.233852 C\n0.457706 0.855217 0.650264 I\n0.271473 0.706585 0.389654 I\n0.173591 0.846747 0.835716 I\n0.968753 0.678800 0.575845 I\n0.950805 0.055504 0.732017 I\n0.661076 0.026494 0.911237 I\n0.606694 0.399067 0.050182 I\n0.338924 0.973506 0.088763 I\n0.439872 0.253638 0.803312 I\n0.905116 0.430166 0.874171 I\n0.701176 0.817725 0.469904 I\n0.125070 0.198603 0.982282 I\n0.728527 0.293415 0.610346 I\n0.031247 0.321200 0.424155 I\n0.560128 0.746362 0.196688 I\n0.393306 0.600933 0.949818 I\n0.298824 0.182275 0.530096 I\n0.213789 0.470480 0.687802 I\n0.874930 0.801397 0.017718 I\n0.542294 0.144783 0.349736 I\n0.094884 0.569834 0.125829 I\n0.826409 0.153253 0.164284 I\n0.049195 0.944496 0.267983 I\n0.786211 0.529520 0.312198 I\n0.559214 0.548705 0.584260 N\n0.440786 0.451295 0.415740 N\n","nsites":44,"nelements":4,"elements":["Y","C","I","N"],"chemical_system":"C-I-N-Y","density":4.515086691953715,"density_atomic":0.02739943708915826,"volume":1605.8724074083425,"volume_molar":21.979067454575237,"formula_full":"Y14 C4 I24 N2","formula_reduced":"Y7C2I12N","formula_anonymous":"AB2C7D12","energy":-248.91417245,"energy_per_atom":-5.657140282954545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-239.09617245,"band_gap":1.0406,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027848,"is_theoretical":false,"updated_at":"2021-11-28T01:34:33.395000Z","spacegroup":2},{"id":"mp-680232","created_at":"2022-09-04T14:39:06.790607Z","structure_string":"K16 Ag8 C24 S24 N24\n1.0\n20.270503 0.000000 0.000000\n0.000000 9.968640 0.000000\n0.000000 7.088139 10.335020\nK Ag C S N\n16 8 24 24 24\ndirect\n0.892643 0.508358 0.123000 K\n0.097934 0.030962 0.609782 K\n0.402066 0.030962 0.109782 K\n0.764498 0.205400 0.042733 K\n0.107357 0.491642 0.877000 K\n0.264498 0.794600 0.457267 K\n0.235502 0.794600 0.957267 K\n0.719786 0.701639 0.288605 K\n0.597934 0.969038 0.890218 K\n0.607357 0.508358 0.623000 K\n0.902066 0.969038 0.390218 K\n0.392643 0.491642 0.377000 K\n0.735502 0.205400 0.542733 K\n0.219786 0.298361 0.211395 K\n0.780214 0.701639 0.788605 K\n0.280214 0.298361 0.711395 K\n0.951834 0.501949 0.621523 Ag\n0.428013 0.982848 0.599888 Ag\n0.048166 0.498051 0.378477 Ag\n0.928013 0.017152 0.900112 Ag\n0.451834 0.498051 0.878477 Ag\n0.548166 0.501949 0.121523 Ag\n0.071987 0.982848 0.099888 Ag\n0.571987 0.017152 0.400112 Ag\n0.127881 0.471531 0.632551 C\n0.612582 0.051445 0.123118 C\n0.887418 0.051445 0.623118 C\n0.451902 0.316571 0.724365 C\n0.218029 0.541391 0.361025 C\n0.227658 0.070393 0.086255 C\n0.872119 0.528469 0.367449 C\n0.627881 0.528469 0.867449 C\n0.781971 0.458609 0.638975 C\n0.387418 0.948555 0.876882 C\n0.951902 0.683429 0.775635 C\n0.727658 0.929607 0.413745 C\n0.281971 0.541391 0.861025 C\n0.048098 0.316571 0.224365 C\n0.772342 0.929607 0.913745 C\n0.435879 0.780089 0.453807 C\n0.064121 0.780089 0.953807 C\n0.548098 0.683429 0.275635 C\n0.112582 0.948555 0.376882 C\n0.564121 0.219911 0.546193 C\n0.372119 0.471531 0.132551 C\n0.272342 0.070393 0.586255 C\n0.718029 0.458609 0.138975 C\n0.935879 0.219911 0.046193 C\n0.177261 0.109847 0.968119 S\n0.502176 0.728136 0.150318 S\n0.839860 0.419632 0.745314 S\n0.339860 0.580368 0.754686 S\n0.677261 0.890153 0.531881 S\n0.002176 0.271864 0.349682 S\n0.014003 0.773437 0.060305 S\n0.822739 0.890153 0.031881 S\n0.444950 0.869545 0.835627 S\n0.497824 0.271864 0.849682 S\n0.055050 0.869545 0.335627 S\n0.997824 0.728136 0.650318 S\n0.985997 0.226563 0.939695 S\n0.430440 0.355502 0.131725 S\n0.069560 0.355502 0.631725 S\n0.569560 0.644498 0.868275 S\n0.555050 0.130455 0.164373 S\n0.660140 0.419632 0.245314 S\n0.514003 0.226563 0.439695 S\n0.944950 0.130455 0.664373 S\n0.160140 0.580368 0.254686 S\n0.930440 0.644498 0.368275 S\n0.485997 0.773437 0.560305 S\n0.322739 0.109847 0.468119 S\n0.739945 0.485270 0.563464 N\n0.169589 0.550899 0.637813 N\n0.830411 0.449101 0.362187 N\n0.239945 0.514730 0.936536 N\n0.669589 0.449101 0.862187 N\n0.418485 0.348943 0.635484 N\n0.899103 0.215938 0.121442 N\n0.653562 0.998289 0.088954 N\n0.735961 0.956036 0.829830 N\n0.846438 0.998289 0.588954 N\n0.081515 0.348943 0.135484 N\n0.264039 0.043964 0.170170 N\n0.260055 0.514730 0.436536 N\n0.153562 0.001711 0.411046 N\n0.760055 0.485270 0.063464 N\n0.330411 0.550899 0.137813 N\n0.600897 0.215938 0.621442 N\n0.764039 0.956036 0.329830 N\n0.918485 0.651057 0.864516 N\n0.100897 0.784062 0.878558 N\n0.581515 0.651057 0.364516 N\n0.399103 0.784062 0.378558 N\n0.346438 0.001711 0.911046 N\n0.235961 0.043964 0.670170 N\n","nsites":96,"nelements":5,"elements":["K","Ag","C","S","N"],"chemical_system":"Ag-C-K-N-S","density":2.2919548142949377,"density_atomic":0.04596840908550461,"volume":2088.390742899824,"volume_molar":13.100607307941367,"formula_full":"K16 Ag8 C24 S24 N24","formula_reduced":"K2AgC3(SN)3","formula_anonymous":"AB2C3D3E3","energy":-603.3262622,"energy_per_atom":-6.284648564583333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-582.5902622,"band_gap":3.085,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0169052,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.003000Z","spacegroup":14},{"id":"mp-1189148","created_at":"2022-09-04T14:39:06.801249Z","structure_string":"Lu12 Ru4\n1.0\n0.000000 0.000000 6.135579\n7.220384 0.000000 0.000000\n0.000000 8.912868 0.000000\nLu Ru\n12 4\ndirect\n0.333398 0.676550 0.063241 Lu\n0.166602 0.176550 0.436759 Lu\n0.666602 0.323450 0.563241 Lu\n0.833398 0.823450 0.936759 Lu\n0.666602 0.323450 0.936759 Lu\n0.833398 0.823450 0.563241 Lu\n0.333398 0.676550 0.436759 Lu\n0.166602 0.176550 0.063241 Lu\n0.868703 0.540528 0.250000 Lu\n0.631297 0.040528 0.250000 Lu\n0.131297 0.459472 0.750000 Lu\n0.368703 0.959472 0.750000 Lu\n0.039846 0.884085 0.250000 Ru\n0.460154 0.384085 0.250000 Ru\n0.960154 0.115915 0.750000 Ru\n0.539846 0.615915 0.750000 Ru\n","nsites":16,"nelements":2,"elements":["Lu","Ru"],"chemical_system":"Lu-Ru","density":10.530039015363899,"density_atomic":0.04052160702698848,"volume":394.85107264733034,"volume_molar":14.861554616995056,"formula_full":"Lu12 Ru4","formula_reduced":"Lu3Ru","formula_anonymous":"AB3","energy":-97.68971377,"energy_per_atom":-6.105607110625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.68971377,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021366,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.914000Z","spacegroup":62},{"id":"mp-1196871","created_at":"2022-09-04T14:40:25.053579Z","structure_string":"K1 Cu24 Ag9 H48 Pb26 Cl62 O48\n1.0\n15.493606 0.000000 0.000000\n0.000000 15.493606 0.000000\n0.000000 0.000000 15.493606\nK Cu Ag H Pb Cl O\n1 24 9 48 26 62 48\ndirect\n0.500000 0.500000 0.500000 K\n0.094103 0.256090 0.743910 Cu\n0.256090 0.256090 0.905897 Cu\n0.256090 0.094103 0.743910 Cu\n0.094103 0.743910 0.256090 Cu\n0.256090 0.743910 0.094103 Cu\n0.256090 0.905897 0.256090 Cu\n0.905897 0.256090 0.256090 Cu\n0.743910 0.256090 0.094103 Cu\n0.743910 0.094103 0.256090 Cu\n0.905897 0.743910 0.743910 Cu\n0.743910 0.743910 0.905897 Cu\n0.743910 0.905897 0.743910 Cu\n0.905897 0.743910 0.256090 Cu\n0.743910 0.743910 0.094103 Cu\n0.743910 0.905897 0.256090 Cu\n0.905897 0.256090 0.743910 Cu\n0.743910 0.256090 0.905897 Cu\n0.743910 0.094103 0.743910 Cu\n0.094103 0.743910 0.743910 Cu\n0.256090 0.743910 0.905897 Cu\n0.256090 0.905897 0.743910 Cu\n0.094103 0.256090 0.256090 Cu\n0.256090 0.256090 0.094103 Cu\n0.256090 0.094103 0.256090 Cu\n0.000000 0.154920 0.000000 Ag\n0.154920 0.000000 0.000000 Ag\n0.000000 0.000000 0.845080 Ag\n0.000000 0.845080 0.000000 Ag\n0.000000 0.000000 0.154920 Ag\n0.845080 0.000000 0.000000 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.148147 0.335170 0.000000 H\n0.335170 0.000000 0.851853 H\n0.000000 0.148147 0.664830 H\n0.148147 0.000000 0.664830 H\n0.335170 0.148147 0.000000 H\n0.000000 0.335170 0.851853 H\n0.148147 0.664830 0.000000 H\n0.335170 0.000000 0.148147 H\n0.000000 0.851853 0.335170 H\n0.148147 0.000000 0.335170 H\n0.335170 0.851853 0.000000 H\n0.000000 0.664830 0.148147 H\n0.851853 0.335170 0.000000 H\n0.664830 0.000000 0.148147 H\n0.000000 0.148147 0.335170 H\n0.851853 0.000000 0.335170 H\n0.664830 0.148147 0.000000 H\n0.000000 0.335170 0.148147 H\n0.851853 0.664830 0.000000 H\n0.664830 0.000000 0.851853 H\n0.000000 0.851853 0.664830 H\n0.851853 0.000000 0.664830 H\n0.664830 0.851853 0.000000 H\n0.000000 0.664830 0.851853 H\n0.367177 0.166523 0.833477 H\n0.166523 0.166523 0.632823 H\n0.166523 0.367177 0.833477 H\n0.367177 0.833477 0.166523 H\n0.166523 0.833477 0.367177 H\n0.166523 0.632823 0.166523 H\n0.632823 0.166523 0.166523 H\n0.833477 0.166523 0.367177 H\n0.833477 0.367177 0.166523 H\n0.632823 0.833477 0.833477 H\n0.833477 0.833477 0.632823 H\n0.833477 0.632823 0.833477 H\n0.632823 0.833477 0.166523 H\n0.833477 0.833477 0.367177 H\n0.833477 0.632823 0.166523 H\n0.632823 0.166523 0.833477 H\n0.833477 0.166523 0.632823 H\n0.833477 0.367177 0.833477 H\n0.367177 0.833477 0.833477 H\n0.166523 0.833477 0.632823 H\n0.166523 0.632823 0.833477 H\n0.367177 0.166523 0.166523 H\n0.166523 0.166523 0.367177 H\n0.166523 0.367177 0.166523 H\n0.500000 0.500000 0.776189 Pb\n0.500000 0.223811 0.500000 Pb\n0.223811 0.500000 0.500000 Pb\n0.500000 0.500000 0.223811 Pb\n0.500000 0.776189 0.500000 Pb\n0.776189 0.500000 0.500000 Pb\n0.303835 0.303835 0.696165 Pb\n0.303835 0.696165 0.303835 Pb\n0.696165 0.303835 0.303835 Pb\n0.696165 0.696165 0.696165 Pb\n0.696165 0.696165 0.303835 Pb\n0.696165 0.303835 0.696165 Pb\n0.303835 0.696165 0.696165 Pb\n0.303835 0.303835 0.303835 Pb\n0.000000 0.500000 0.724833 Pb\n0.500000 0.275167 0.000000 Pb\n0.275167 0.000000 0.500000 Pb\n0.000000 0.275167 0.500000 Pb\n0.500000 0.000000 0.724833 Pb\n0.275167 0.500000 0.000000 Pb\n0.000000 0.500000 0.275167 Pb\n0.500000 0.724833 0.000000 Pb\n0.000000 0.724833 0.500000 Pb\n0.500000 0.000000 0.275167 Pb\n0.724833 0.000000 0.500000 Pb\n0.724833 0.500000 0.000000 Pb\n0.120827 0.120827 0.879173 Cl\n0.120827 0.879173 0.120827 Cl\n0.879173 0.120827 0.120827 Cl\n0.879173 0.879173 0.879173 Cl\n0.879173 0.879173 0.120827 Cl\n0.879173 0.120827 0.879173 Cl\n0.120827 0.879173 0.879173 Cl\n0.120827 0.120827 0.120827 Cl\n0.121266 0.385689 0.614311 Cl\n0.385689 0.385689 0.878734 Cl\n0.385689 0.121266 0.614311 Cl\n0.121266 0.614311 0.385689 Cl\n0.385689 0.614311 0.121266 Cl\n0.385689 0.878734 0.385689 Cl\n0.878734 0.385689 0.385689 Cl\n0.614311 0.385689 0.121266 Cl\n0.614311 0.121266 0.385689 Cl\n0.878734 0.614311 0.614311 Cl\n0.614311 0.614311 0.878734 Cl\n0.614311 0.878734 0.614311 Cl\n0.878734 0.614311 0.385689 Cl\n0.614311 0.614311 0.121266 Cl\n0.614311 0.878734 0.385689 Cl\n0.878734 0.385689 0.614311 Cl\n0.614311 0.385689 0.878734 Cl\n0.614311 0.121266 0.614311 Cl\n0.121266 0.614311 0.614311 Cl\n0.385689 0.614311 0.878734 Cl\n0.385689 0.878734 0.614311 Cl\n0.121266 0.385689 0.385689 Cl\n0.385689 0.385689 0.121266 Cl\n0.385689 0.121266 0.385689 Cl\n0.000000 0.332271 0.000000 Cl\n0.332271 0.000000 0.000000 Cl\n0.000000 0.000000 0.667729 Cl\n0.000000 0.667729 0.000000 Cl\n0.000000 0.000000 0.332271 Cl\n0.667729 0.000000 0.000000 Cl\n0.132789 0.500000 0.867211 Cl\n0.500000 0.132789 0.867211 Cl\n0.132789 0.132789 0.500000 Cl\n0.132789 0.500000 0.132789 Cl\n0.500000 0.867211 0.132789 Cl\n0.132789 0.867211 0.500000 Cl\n0.867211 0.500000 0.132789 Cl\n0.500000 0.132789 0.132789 Cl\n0.867211 0.132789 0.500000 Cl\n0.867211 0.500000 0.867211 Cl\n0.500000 0.867211 0.867211 Cl\n0.867211 0.867211 0.500000 Cl\n0.331710 0.500000 0.668290 Cl\n0.500000 0.331710 0.668290 Cl\n0.331710 0.331710 0.500000 Cl\n0.331710 0.500000 0.331710 Cl\n0.500000 0.668290 0.331710 Cl\n0.331710 0.668290 0.500000 Cl\n0.668290 0.500000 0.331710 Cl\n0.500000 0.331710 0.331710 Cl\n0.668290 0.331710 0.500000 Cl\n0.668290 0.500000 0.668290 Cl\n0.500000 0.668290 0.668290 Cl\n0.668290 0.668290 0.500000 Cl\n0.211769 0.330797 0.000000 O\n0.330797 0.000000 0.788231 O\n0.000000 0.211769 0.669203 O\n0.211769 0.000000 0.669203 O\n0.330797 0.211769 0.000000 O\n0.000000 0.330797 0.788231 O\n0.211769 0.669203 0.000000 O\n0.330797 0.000000 0.211769 O\n0.000000 0.788231 0.330797 O\n0.211769 0.000000 0.330797 O\n0.330797 0.788231 0.000000 O\n0.000000 0.669203 0.211769 O\n0.788231 0.330797 0.000000 O\n0.669203 0.000000 0.211769 O\n0.000000 0.211769 0.330797 O\n0.788231 0.000000 0.330797 O\n0.669203 0.211769 0.000000 O\n0.000000 0.330797 0.211769 O\n0.788231 0.669203 0.000000 O\n0.669203 0.000000 0.788231 O\n0.000000 0.788231 0.669203 O\n0.788231 0.000000 0.669203 O\n0.669203 0.788231 0.000000 O\n0.000000 0.669203 0.788231 O\n0.309608 0.186196 0.813804 O\n0.186196 0.186196 0.690392 O\n0.186196 0.309608 0.813804 O\n0.309608 0.813804 0.186196 O\n0.186196 0.813804 0.309608 O\n0.186196 0.690392 0.186196 O\n0.690392 0.186196 0.186196 O\n0.813804 0.186196 0.309608 O\n0.813804 0.309608 0.186196 O\n0.690392 0.813804 0.813804 O\n0.813804 0.813804 0.690392 O\n0.813804 0.690392 0.813804 O\n0.690392 0.813804 0.186196 O\n0.813804 0.813804 0.309608 O\n0.813804 0.690392 0.186196 O\n0.690392 0.186196 0.813804 O\n0.813804 0.186196 0.690392 O\n0.813804 0.309608 0.813804 O\n0.309608 0.813804 0.813804 O\n0.186196 0.813804 0.690392 O\n0.186196 0.690392 0.813804 O\n0.309608 0.186196 0.186196 O\n0.186196 0.186196 0.309608 O\n0.186196 0.309608 0.186196 O\n","nsites":218,"nelements":7,"elements":["K","Cu","Ag","H","Pb","Cl","O"],"chemical_system":"Ag-Cl-Cu-H-K-O-Pb","density":4.88288013812943,"density_atomic":0.058613677495429624,"volume":3719.2684253090665,"volume_molar":10.274292652034287,"formula_full":"K1 Cu24 Ag9 H48 Pb26 Cl62 O48","formula_reduced":"KCu24Ag9H48Pb26(Cl31O24)2","formula_anonymous":"AB9C24D26E48F48G62","energy":-1006.87757506,"energy_per_atom":-4.6187044727522935,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-935.83357506,"band_gap":0.0312000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":7.9840801,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.947000Z","spacegroup":221},{"id":"mp-532656","created_at":"2022-09-04T14:39:06.162797Z","structure_string":"K8 Fe4 Sn4 P12 O48\n1.0\n10.094794 0.000000 0.000000\n0.000000 10.094794 0.000000\n0.000000 0.000000 10.094794\nK Fe Sn P O\n8 4 4 12 48\ndirect\n0.062847 0.437153 0.562847 K\n0.201878 0.798122 0.298122 K\n0.298122 0.201878 0.798122 K\n0.437153 0.562847 0.062847 K\n0.562847 0.062847 0.437153 K\n0.701878 0.701878 0.701878 K\n0.798122 0.298122 0.201878 K\n0.937153 0.937153 0.937153 K\n0.146600 0.146600 0.146600 Fe\n0.353400 0.853400 0.646600 Fe\n0.646600 0.353400 0.853400 Fe\n0.853400 0.646600 0.353400 Fe\n0.086138 0.586138 0.913862 Sn\n0.413862 0.413862 0.413862 Sn\n0.586138 0.913862 0.086138 Sn\n0.913862 0.086138 0.586138 Sn\n0.040501 0.770893 0.624231 P\n0.124231 0.459499 0.229107 P\n0.229107 0.124231 0.459499 P\n0.270893 0.875769 0.959499 P\n0.375769 0.540501 0.729107 P\n0.459499 0.229107 0.124231 P\n0.540501 0.729107 0.375769 P\n0.624231 0.040501 0.770893 P\n0.729107 0.375769 0.540501 P\n0.770893 0.624231 0.040501 P\n0.875769 0.959499 0.270893 P\n0.959499 0.270893 0.875769 P\n0.998039 0.416758 0.843693 O\n0.012571 0.692551 0.755269 O\n0.018972 0.549205 0.291965 O\n0.049205 0.208035 0.981028 O\n0.081862 0.313443 0.238566 O\n0.083242 0.156307 0.498039 O\n0.156307 0.498039 0.083242 O\n0.186557 0.761434 0.581862 O\n0.192551 0.744731 0.987429 O\n0.208035 0.981028 0.049205 O\n0.238566 0.081862 0.313443 O\n0.244731 0.512571 0.807449 O\n0.255269 0.487429 0.307449 O\n0.261434 0.918138 0.813443 O\n0.291965 0.018972 0.549205 O\n0.307449 0.255269 0.487429 O\n0.313443 0.238566 0.081862 O\n0.343693 0.501961 0.583242 O\n0.416758 0.843693 0.998039 O\n0.418138 0.686557 0.738566 O\n0.450795 0.791965 0.481028 O\n0.481028 0.450795 0.791965 O\n0.487429 0.307449 0.255269 O\n0.501961 0.583242 0.343693 O\n0.498039 0.083242 0.156307 O\n0.512571 0.807449 0.244731 O\n0.518972 0.950795 0.708035 O\n0.549205 0.291965 0.018972 O\n0.581862 0.186557 0.761434 O\n0.583242 0.343693 0.501961 O\n0.656307 0.001961 0.916758 O\n0.686557 0.738566 0.418138 O\n0.692551 0.755269 0.012571 O\n0.708035 0.518972 0.950795 O\n0.738566 0.418138 0.686557 O\n0.744731 0.987429 0.192551 O\n0.755269 0.012571 0.692551 O\n0.761434 0.581862 0.186557 O\n0.791965 0.481028 0.450795 O\n0.807449 0.244731 0.512571 O\n0.813443 0.261434 0.918138 O\n0.843693 0.998039 0.416758 O\n0.916758 0.656307 0.001961 O\n0.918138 0.813443 0.261434 O\n0.950795 0.708035 0.518972 O\n0.981028 0.049205 0.208035 O\n0.987429 0.192551 0.744731 O\n0.001961 0.916758 0.656307 O\n","nsites":76,"nelements":5,"elements":["K","Fe","Sn","P","O"],"chemical_system":"Fe-K-O-P-Sn","density":3.4715947793418565,"density_atomic":0.07387903422424277,"volume":1028.7086288827156,"volume_molar":8.151352847576732,"formula_full":"K8 Fe4 Sn4 P12 O48","formula_reduced":"K2FeSn(PO4)3","formula_anonymous":"ABC2D3E12","energy":-552.8248135700001,"energy_per_atom":-7.274010704868422,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-510.82481357,"band_gap":2.6995999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0032907,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.949000Z","spacegroup":198}]}