{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-total_magnetization&page=10229","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-total_magnetization&page=10227","results":[{"id":"mp-686055","created_at":"2022-09-04T14:43:36.715715Z","structure_string":"Sr6 Pr8 O18\n1.0\n7.038050 0.000000 0.000000\n-2.777980 8.800252 0.000000\n-1.213978 -0.721972 9.712418\nSr Pr O\n6 8 18\ndirect\n0.090039 0.736701 0.926850 Sr\n0.780550 0.775691 0.425834 Sr\n0.526650 0.624492 0.060231 Sr\n0.837897 0.199041 0.448204 Sr\n0.649619 0.345418 0.731986 Sr\n0.085634 0.322119 0.924039 Sr\n0.515270 0.168843 0.039030 Pr\n0.193658 0.638429 0.618648 Pr\n0.937825 0.003200 0.154908 Pr\n0.688111 0.927022 0.766395 Pr\n0.352065 0.328068 0.355671 Pr\n0.963508 0.527516 0.237589 Pr\n0.173247 0.056782 0.669788 Pr\n0.354690 0.936094 0.373446 Pr\n0.296171 0.120439 0.200090 O\n0.102224 0.724277 0.405861 O\n0.510519 0.824788 0.552498 O\n0.620533 0.932677 0.252956 O\n0.010270 0.012545 0.927010 O\n0.183563 0.548244 0.087307 O\n0.124823 0.425995 0.445595 O\n0.429909 0.745186 0.848952 O\n0.994600 0.813279 0.668449 O\n0.630006 0.502503 0.302826 O\n0.896390 0.743185 0.123364 O\n0.059007 0.041682 0.419983 O\n0.491303 0.196584 0.511161 O\n0.463790 0.370798 0.935389 O\n0.503290 0.089722 0.812133 O\n0.851002 0.245602 0.130495 O\n0.981932 0.503763 0.770591 O\n0.920906 0.161509 0.683919 O\n","nsites":32,"nelements":3,"elements":["Sr","Pr","O"],"chemical_system":"O-Pr-Sr","density":5.35788253835903,"density_atomic":0.053195532020798825,"volume":601.5542806769632,"volume_molar":11.320764228178815,"formula_full":"Sr6 Pr8 O18","formula_reduced":"Sr3Pr4O9","formula_anonymous":"A3B4C9","energy":-243.5838762,"energy_per_atom":-7.61199613125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-231.2178762,"band_gap":2.3406,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001646,"is_theoretical":true,"updated_at":"2021-11-28T01:36:19.776000Z","spacegroup":1},{"id":"mp-1008523","created_at":"2022-09-04T14:41:16.115915Z","structure_string":"B1 C2 N1\n1.0\n2.568581 0.000000 0.000000\n0.000000 2.568581 0.000000\n0.000000 0.000000 3.675626\nB C N\n1 2 1\ndirect\n0.500000 0.500000 0.500000 B\n0.500000 0.000000 0.247981 C\n0.000000 0.500000 0.752019 C\n0.000000 0.000000 0.000000 N\n","nsites":4,"nelements":3,"elements":["B","C","N"],"chemical_system":"B-C-N","density":3.344251290701053,"density_atomic":0.16494613550514417,"volume":24.250340802166004,"volume_molar":3.650974144715375,"formula_full":"B1 C2 N1","formula_reduced":"BC2N","formula_anonymous":"ABC2","energy":-32.41955521,"energy_per_atom":-8.1048888025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.05855521,"band_gap":1.5215999999999994,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001645,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.873000Z","spacegroup":115},{"id":"mp-1183173","created_at":"2022-09-04T14:48:13.333472Z","structure_string":"Al1 Ga1 Ni2\n1.0\n0.000000 2.896290 2.896290\n2.896290 0.000000 2.896290\n2.896290 2.896290 0.000000\nAl Ga Ni\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Ni\n","nsites":4,"nelements":3,"elements":["Al","Ga","Ni"],"chemical_system":"Al-Ga-Ni","density":7.3163094326256735,"density_atomic":0.08231971559490951,"volume":48.59103279321038,"volume_molar":7.315550978862222,"formula_full":"Al1 Ga1 Ni2","formula_reduced":"AlGaNi2","formula_anonymous":"ABC2","energy":-20.37828559,"energy_per_atom":-5.0945713975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.37828559,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001645,"is_theoretical":true,"updated_at":"2021-11-28T01:38:37.169000Z","spacegroup":225},{"id":"mp-780409","created_at":"2022-09-04T14:45:24.958462Z","structure_string":"La16 Al8 O36\n1.0\n11.136439 0.000000 0.000000\n0.000000 7.951697 0.000000\n0.000000 3.867198 10.940191\nLa Al O\n16 8 36\ndirect\n0.912300 0.974288 0.809731 La\n0.587700 0.974288 0.309731 La\n0.124225 0.837037 0.583839 La\n0.625281 0.665032 0.929503 La\n0.375775 0.837037 0.083839 La\n0.874719 0.665032 0.429503 La\n0.399437 0.524536 0.709830 La\n0.899437 0.475464 0.790170 La\n0.100563 0.524536 0.209830 La\n0.600563 0.475464 0.290170 La\n0.125281 0.334968 0.570497 La\n0.624225 0.162963 0.916161 La\n0.374719 0.334968 0.070497 La\n0.875775 0.162963 0.416161 La\n0.412300 0.025712 0.690269 La\n0.087700 0.025712 0.190269 La\n0.688245 0.774590 0.628855 Al\n0.186129 0.649378 0.881319 Al\n0.811755 0.774590 0.128855 Al\n0.313871 0.649378 0.381319 Al\n0.686129 0.350622 0.618681 Al\n0.188245 0.225410 0.871145 Al\n0.813871 0.350622 0.118681 Al\n0.311755 0.225410 0.371145 Al\n0.766519 0.919515 0.983685 O\n0.497174 0.923572 0.893796 O\n0.733481 0.919515 0.483685 O\n0.274142 0.782461 0.755058 O\n0.772379 0.769443 0.761632 O\n0.002826 0.923572 0.393796 O\n0.534239 0.782744 0.664375 O\n0.034720 0.698635 0.832741 O\n0.225858 0.782461 0.255058 O\n0.727621 0.769443 0.261632 O\n0.271312 0.638514 0.531097 O\n0.965761 0.782744 0.164375 O\n0.735614 0.565744 0.617481 O\n0.465280 0.698635 0.332741 O\n0.507020 0.432166 0.896139 O\n0.007020 0.567834 0.603861 O\n0.235614 0.434256 0.882519 O\n0.771312 0.361486 0.968903 O\n0.228688 0.638514 0.031097 O\n0.764386 0.565744 0.117481 O\n0.992980 0.432166 0.396139 O\n0.492980 0.567834 0.103861 O\n0.534720 0.301365 0.667259 O\n0.264386 0.434256 0.382519 O\n0.034239 0.217256 0.835625 O\n0.728688 0.361486 0.468903 O\n0.272379 0.230557 0.738368 O\n0.774142 0.217539 0.744942 O\n0.965280 0.301365 0.167259 O\n0.465761 0.217256 0.335625 O\n0.997174 0.076428 0.606204 O\n0.227621 0.230557 0.238368 O\n0.725858 0.217539 0.244942 O\n0.266519 0.080485 0.516315 O\n0.502826 0.076428 0.106204 O\n0.233481 0.080485 0.016315 O\n","nsites":60,"nelements":3,"elements":["La","Al","O"],"chemical_system":"Al-La-O","density":5.166627220568098,"density_atomic":0.061932723805039495,"volume":968.7931728770142,"volume_molar":9.72368142398732,"formula_full":"La16 Al8 O36","formula_reduced":"La4Al2O9","formula_anonymous":"A2B4C9","energy":-514.52789556,"energy_per_atom":-8.575464926,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-489.79589556,"band_gap":4.4174,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001645,"is_theoretical":true,"updated_at":"2021-11-28T01:36:55.723000Z","spacegroup":14},{"id":"mp-30387","created_at":"2022-09-04T14:45:43.047131Z","structure_string":"Ho1 Au4\n1.0\n-3.398144 3.398144 2.113149\n3.398144 -3.398144 2.113149\n3.398144 3.398144 -2.113149\nHo Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.401312 0.801076 0.202388 Au\n0.598688 0.198924 0.797612 Au\n0.198924 0.401312 0.600235 Au\n0.801076 0.598688 0.399765 Au\n","nsites":5,"nelements":2,"elements":["Ho","Au"],"chemical_system":"Au-Ho","density":16.20972418372873,"density_atomic":0.0512266947419515,"volume":97.60536035336492,"volume_molar":11.755864379569736,"formula_full":"Ho1 Au4","formula_reduced":"HoAu4","formula_anonymous":"AB4","energy":-20.66748843,"energy_per_atom":-4.133497686,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.66748843,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001645,"is_theoretical":false,"updated_at":"2021-11-28T01:37:16.467000Z","spacegroup":87},{"id":"mp-1019602","created_at":"2022-09-04T14:40:38.487677Z","structure_string":"Cs4 Al4 B4 O14\n1.0\n7.229786 0.000000 0.000000\n0.000000 6.804857 0.000000\n0.000000 4.153987 8.817702\nCs Al B O\n4 4 4 14\ndirect\n0.862810 0.222595 0.617305 Cs\n0.362810 0.777405 0.882695 Cs\n0.137190 0.777405 0.382695 Cs\n0.637190 0.222595 0.117305 Cs\n0.619198 0.760571 0.540082 Al\n0.119198 0.239429 0.959918 Al\n0.380802 0.239429 0.459918 Al\n0.880802 0.760571 0.040082 Al\n0.888650 0.646037 0.775477 B\n0.388650 0.353963 0.724523 B\n0.111350 0.353963 0.224523 B\n0.611350 0.646037 0.275477 B\n0.840139 0.744777 0.623032 O\n0.340139 0.255223 0.876968 O\n0.159861 0.255223 0.376968 O\n0.659861 0.744777 0.123032 O\n0.831761 0.740628 0.868571 O\n0.331761 0.259372 0.631429 O\n0.168239 0.259372 0.131429 O\n0.668239 0.740628 0.368571 O\n0.500000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.994225 0.461254 0.827694 O\n0.494225 0.538746 0.672306 O\n0.005775 0.538746 0.172306 O\n0.505775 0.461254 0.327694 O\n","nsites":26,"nelements":4,"elements":["Cs","Al","B","O"],"chemical_system":"Al-B-Cs-O","density":3.470986088472002,"density_atomic":0.0599340305430126,"volume":433.810303836327,"volume_molar":10.047948895541268,"formula_full":"Cs4 Al4 B4 O14","formula_reduced":"Cs2Al2B2O7","formula_anonymous":"A2B2C2D7","energy":-191.94452602,"energy_per_atom":-7.38248177,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-182.32652602,"band_gap":4.2490000000000006,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001645,"is_theoretical":false,"updated_at":"2021-11-28T01:35:06.107000Z","spacegroup":14},{"id":"mp-1216325","created_at":"2022-09-04T14:39:39.964919Z","structure_string":"V1 Ga1\n1.0\n1.388186 -2.404409 0.000000\n1.388186 2.404409 0.000000\n0.000000 0.000000 4.354836\nV Ga\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.333333 0.666667 0.500000 Ga\n","nsites":2,"nelements":2,"elements":["V","Ga"],"chemical_system":"Ga-V","density":6.892405334732054,"density_atomic":0.06879742611136712,"volume":29.070855016617376,"volume_molar":8.753439046181098,"formula_full":"V1 Ga1","formula_reduced":"VGa","formula_anonymous":"AB","energy":-12.3629232,"energy_per_atom":-6.1814616,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.3629232,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001645,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.895000Z","spacegroup":187},{"id":"mp-766881","created_at":"2022-09-04T14:39:13.339778Z","structure_string":"H14 S2 I2 O20\n1.0\n5.796625 0.000000 0.000000\n1.696538 5.785037 0.000000\n0.792910 0.479736 12.357336\nH S I O\n14 2 2 20\ndirect\n0.052012 0.247808 0.141336 H\n0.039631 0.302928 0.366726 H\n0.137527 0.184437 0.644440 H\n0.268879 0.683400 0.100472 H\n0.348789 0.054513 0.891803 H\n0.505273 0.317662 0.350994 H\n0.422567 0.785888 0.451187 H\n0.577433 0.214112 0.548813 H\n0.494727 0.682338 0.649006 H\n0.651211 0.945487 0.108197 H\n0.731121 0.316600 0.899528 H\n0.862473 0.815563 0.355560 H\n0.960369 0.697072 0.633274 H\n0.947988 0.752192 0.858664 H\n0.360728 0.433554 0.743934 S\n0.639272 0.566446 0.256066 S\n0.000000 0.000000 0.000000 I\n0.000000 0.000000 0.500000 I\n0.167770 0.135088 0.093448 O\n0.131389 0.233494 0.432908 O\n0.006573 0.878046 0.361848 O\n0.105560 0.703962 0.073160 O\n0.117383 0.596627 0.746016 O\n0.384086 0.263538 0.658152 O\n0.451166 0.423858 0.287813 O\n0.323605 0.810855 0.522016 O\n0.436492 0.324554 0.848174 O\n0.286870 0.917327 0.908685 O\n0.713130 0.082673 0.091315 O\n0.563508 0.675446 0.151826 O\n0.676395 0.189145 0.477984 O\n0.548834 0.576142 0.712187 O\n0.615914 0.736462 0.341848 O\n0.882617 0.403373 0.253984 O\n0.894440 0.296038 0.926840 O\n0.993427 0.121954 0.638152 O\n0.868611 0.766506 0.567092 O\n0.832230 0.864912 0.906552 O\n","nsites":38,"nelements":4,"elements":["H","S","I","O"],"chemical_system":"H-I-O-S","density":2.612858365922062,"density_atomic":0.09170170164851243,"volume":414.38707588711827,"volume_molar":6.567098158202706,"formula_full":"H14 S2 I2 O20","formula_reduced":"H7SIO10","formula_anonymous":"ABC7D10","energy":-203.60424856,"energy_per_atom":-5.358006541052632,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-189.86424856,"band_gap":2.3634,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001645,"is_theoretical":false,"updated_at":"2021-11-28T01:34:30.640000Z","spacegroup":2},{"id":"mp-559493","created_at":"2022-09-04T14:43:56.079051Z","structure_string":"Ti8 P8 Cl56 O8\n1.0\n13.034221 0.000000 0.000000\n0.000000 13.162022 0.000000\n0.000000 0.000000 14.091866\nTi P Cl O\n8 8 56 8\ndirect\n0.936857 0.865646 0.000775 Ti\n0.063143 0.365646 0.499225 Ti\n0.063143 0.134354 0.999225 Ti\n0.563143 0.134354 0.500775 Ti\n0.936857 0.634354 0.500775 Ti\n0.563143 0.365646 0.000775 Ti\n0.436857 0.865646 0.499225 Ti\n0.436857 0.634354 0.999225 Ti\n0.684789 0.066790 0.716469 P\n0.184789 0.433210 0.283531 P\n0.815211 0.566790 0.716469 P\n0.815211 0.933210 0.216469 P\n0.684789 0.433210 0.216469 P\n0.315211 0.566790 0.783531 P\n0.184789 0.066790 0.783531 P\n0.315211 0.933210 0.283531 P\n0.229020 0.170422 0.023570 Cl\n0.772974 0.186293 0.743095 Cl\n0.880084 0.970099 0.338978 Cl\n0.399592 0.047927 0.541984 Cl\n0.781292 0.954773 0.684967 Cl\n0.770980 0.670422 0.476430 Cl\n0.100408 0.547927 0.541984 Cl\n0.119916 0.470099 0.161022 Cl\n0.490229 0.720962 0.431592 Cl\n0.509771 0.279038 0.568408 Cl\n0.509659 0.169529 0.353916 Cl\n0.490229 0.779038 0.931592 Cl\n0.772974 0.313707 0.243095 Cl\n0.009771 0.220962 0.431592 Cl\n0.119916 0.029901 0.661022 Cl\n0.270980 0.829578 0.523570 Cl\n0.990341 0.830471 0.853916 Cl\n0.218708 0.045227 0.315033 Cl\n0.009659 0.330471 0.646084 Cl\n0.729020 0.329578 0.976430 Cl\n0.509659 0.330471 0.853916 Cl\n0.600408 0.952073 0.458016 Cl\n0.270980 0.670422 0.023570 Cl\n0.227026 0.813707 0.256905 Cl\n0.281292 0.954773 0.815033 Cl\n0.990229 0.779038 0.568408 Cl\n0.218708 0.454773 0.815033 Cl\n0.229020 0.329578 0.523570 Cl\n0.899592 0.047927 0.958016 Cl\n0.227026 0.686293 0.756905 Cl\n0.100408 0.952073 0.041984 Cl\n0.770980 0.829578 0.976430 Cl\n0.718708 0.454773 0.684967 Cl\n0.781292 0.545227 0.184967 Cl\n0.380084 0.529901 0.661022 Cl\n0.490341 0.669529 0.146084 Cl\n0.718708 0.045227 0.184967 Cl\n0.880084 0.529901 0.838978 Cl\n0.281292 0.545227 0.315033 Cl\n0.729020 0.170422 0.476430 Cl\n0.619916 0.470099 0.338978 Cl\n0.990341 0.669529 0.353916 Cl\n0.600408 0.547927 0.958016 Cl\n0.380084 0.970099 0.161022 Cl\n0.490341 0.830471 0.646084 Cl\n0.009659 0.169529 0.146084 Cl\n0.009771 0.279038 0.931592 Cl\n0.727026 0.686293 0.743095 Cl\n0.509771 0.220962 0.068408 Cl\n0.990229 0.720962 0.068408 Cl\n0.272974 0.313707 0.256905 Cl\n0.899592 0.452073 0.458016 Cl\n0.272974 0.186293 0.756905 Cl\n0.727026 0.813707 0.243095 Cl\n0.399592 0.452073 0.041984 Cl\n0.619916 0.029901 0.838978 Cl\n0.893819 0.915313 0.141919 O\n0.606181 0.084687 0.641919 O\n0.106181 0.084687 0.858081 O\n0.893819 0.584687 0.641919 O\n0.606181 0.415313 0.141919 O\n0.393819 0.584687 0.858081 O\n0.106181 0.415313 0.358081 O\n0.393819 0.915313 0.358081 O\n","nsites":80,"nelements":4,"elements":["Ti","P","Cl","O"],"chemical_system":"Cl-O-P-Ti","density":1.8848254605377772,"density_atomic":0.033091296997830276,"volume":2417.554077896839,"volume_molar":18.19856369000846,"formula_full":"Ti8 P8 Cl56 O8","formula_reduced":"TiPCl7O","formula_anonymous":"ABCD7","energy":-396.62913646999993,"energy_per_atom":-4.9578642058749995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-356.74913646999994,"band_gap":2.6085000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001644,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.330000Z","spacegroup":61},{"id":"mp-1080572","created_at":"2022-09-04T14:43:07.707350Z","structure_string":"Nd2 Co2 Ge4\n1.0\n2.130282 -8.321048 0.000000\n2.130282 8.321048 0.000000\n0.000000 0.000000 4.235319\nNd Co Ge\n2 2 4\ndirect\n0.892505 0.107495 0.750000 Nd\n0.107495 0.892505 0.250000 Nd\n0.683219 0.316781 0.750000 Co\n0.316781 0.683219 0.250000 Co\n0.545788 0.454212 0.750000 Ge\n0.454212 0.545788 0.250000 Ge\n0.250257 0.749743 0.750000 Ge\n0.749743 0.250257 0.250000 Ge\n","nsites":8,"nelements":3,"elements":["Nd","Co","Ge"],"chemical_system":"Co-Ge-Nd","density":7.7071673571774335,"density_atomic":0.05327932815217666,"volume":150.15204353084866,"volume_molar":11.302959269305225,"formula_full":"Nd2 Co2 Ge4","formula_reduced":"NdCoGe2","formula_anonymous":"ABC2","energy":-47.51698804,"energy_per_atom":-5.939623505,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.51698804,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001644,"is_theoretical":false,"updated_at":"2021-11-28T01:36:04.219000Z","spacegroup":63},{"id":"mp-17966","created_at":"2022-09-04T14:46:34.008304Z","structure_string":"K4 In4 P8 O28\n1.0\n10.610272 0.000000 0.000000\n0.000000 7.556360 0.000000\n0.000000 2.510688 8.207826\nK In P O\n4 4 8 28\ndirect\n0.320835 0.173110 0.436445 K\n0.679165 0.826890 0.563555 K\n0.820835 0.826890 0.063555 K\n0.179165 0.173110 0.936445 K\n0.399597 0.763507 0.257003 In\n0.899597 0.236493 0.242997 In\n0.600403 0.236493 0.742997 In\n0.100403 0.763507 0.757003 In\n0.138097 0.558161 0.194056 P\n0.638097 0.441839 0.305944 P\n0.861903 0.441839 0.805944 P\n0.361903 0.558161 0.694056 P\n0.400007 0.871741 0.822028 P\n0.099993 0.871741 0.322028 P\n0.599993 0.128259 0.177972 P\n0.900007 0.128259 0.677972 P\n0.096480 0.868767 0.498160 O\n0.596480 0.131233 0.001840 O\n0.903520 0.131233 0.501840 O\n0.403520 0.868767 0.998160 O\n0.081249 0.363425 0.240443 O\n0.581249 0.636575 0.259557 O\n0.918751 0.636575 0.759557 O\n0.418751 0.363425 0.740443 O\n0.106437 0.676917 0.022293 O\n0.606437 0.323083 0.477707 O\n0.893563 0.323083 0.977707 O\n0.393563 0.676917 0.522293 O\n0.071887 0.661832 0.315633 O\n0.571887 0.338168 0.184367 O\n0.928113 0.338168 0.684367 O\n0.428113 0.661832 0.815633 O\n0.220700 0.538364 0.737869 O\n0.720700 0.461636 0.762131 O\n0.779300 0.461636 0.262131 O\n0.279300 0.538364 0.237869 O\n0.503658 0.991962 0.717155 O\n0.003658 0.008038 0.782845 O\n0.496342 0.008038 0.282845 O\n0.996342 0.991962 0.217155 O\n0.270130 0.931620 0.743390 O\n0.770130 0.068380 0.756610 O\n0.729870 0.068380 0.256610 O\n0.229870 0.931620 0.243390 O\n","nsites":44,"nelements":4,"elements":["K","In","P","O"],"chemical_system":"In-K-O-P","density":3.309251133813051,"density_atomic":0.06686292594353924,"volume":658.0627362487056,"volume_molar":9.006696424091954,"formula_full":"K4 In4 P8 O28","formula_reduced":"KInP2O7","formula_anonymous":"ABC2D7","energy":-312.34164212,"energy_per_atom":-7.098673684545455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-293.10564212,"band_gap":3.844700000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001644,"is_theoretical":false,"updated_at":"2021-11-28T01:37:32.508000Z","spacegroup":14},{"id":"mp-1026560","created_at":"2022-09-04T14:47:14.896739Z","structure_string":"Sr1 Mg14 B1\n1.0\n6.412149 0.000000 0.000000\n-3.206075 5.553083 -0.000000\n0.000000 0.000000 10.429249\nSr Mg B\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Sr\n0.179477 0.839738 0.125000 Mg\n0.156732 0.828366 0.625000 Mg\n0.660262 0.320523 0.125000 Mg\n0.671634 0.343268 0.625000 Mg\n0.660262 0.839738 0.125000 Mg\n0.671634 0.828366 0.625000 Mg\n0.329198 0.170802 0.398446 Mg\n0.329198 0.170802 0.851554 Mg\n0.329198 0.658398 0.398446 Mg\n0.329198 0.658398 0.851554 Mg\n0.841602 0.170802 0.398446 Mg\n0.841602 0.170802 0.851554 Mg\n0.833333 0.666667 0.365830 Mg\n0.833333 0.666667 0.884170 Mg\n0.166667 0.333333 0.625000 B\n","nsites":16,"nelements":3,"elements":["Sr","Mg","B"],"chemical_system":"B-Mg-Sr","density":1.961674357180411,"density_atomic":0.04308530542052264,"volume":371.35630916007824,"volume_molar":13.977249786725428,"formula_full":"Sr1 Mg14 B1","formula_reduced":"SrMg14B","formula_anonymous":"ABC14","energy":-27.11346947,"energy_per_atom":-1.694591841875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.11346947,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001644,"is_theoretical":true,"updated_at":"2021-11-28T01:38:01.148000Z","spacegroup":187}]}