{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=10133","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=10131","results":[{"id":"mp-1174530","created_at":"2022-09-04T14:44:52.032124Z","structure_string":"Li14 Mn4 Co6 O24\n1.0\n5.688963 -0.375748 -1.542457\n0.022463 11.440569 -2.869356\n0.166324 0.118728 6.494525\nLi Mn Co O\n14 4 6 24\ndirect\n0.166612 0.083316 0.666701 Li\n0.166661 0.583341 0.666621 Li\n0.166630 0.333340 0.666647 Li\n0.166645 0.833327 0.666618 Li\n0.666642 0.083316 0.666646 Li\n0.666699 0.583341 0.666667 Li\n0.828672 0.165847 0.335063 Li\n0.828850 0.665846 0.335082 Li\n0.504484 0.000844 0.998214 Li\n0.504594 0.500816 0.998194 Li\n0.502680 0.245367 0.990653 Li\n0.502732 0.745359 0.990618 Li\n0.830613 0.421328 0.342665 Li\n0.830575 0.921340 0.342678 Li\n0.994656 0.501529 0.996191 Mn\n0.338695 0.165256 0.337413 Mn\n0.994497 0.001506 0.996076 Mn\n0.339034 0.665207 0.337289 Mn\n0.666702 0.833348 0.666691 Co\n0.991933 0.247738 0.993688 Co\n0.341350 0.418905 0.339595 Co\n0.666675 0.333346 0.666679 Co\n0.991998 0.747746 0.993736 Co\n0.341339 0.918910 0.339595 Co\n0.918768 0.458325 0.688553 O\n0.918734 0.958334 0.688631 O\n0.414533 0.208342 0.644830 O\n0.414633 0.708318 0.644725 O\n0.558897 0.047448 0.332645 O\n0.559079 0.547413 0.332629 O\n0.774332 0.119208 0.000696 O\n0.774385 0.619227 0.000686 O\n0.235157 0.120104 0.010055 O\n0.235303 0.620098 0.009973 O\n0.098040 0.046548 0.323386 O\n0.098191 0.546550 0.323295 O\n0.905868 0.221273 0.688732 O\n0.905949 0.721290 0.688773 O\n0.427431 0.445382 0.644564 O\n0.427381 0.945361 0.644532 O\n0.564471 0.281922 0.328412 O\n0.564591 0.781938 0.328375 O\n0.768831 0.384730 0.004908 O\n0.768768 0.884698 0.004939 O\n0.233812 0.382833 0.016423 O\n0.233806 0.882845 0.016446 O\n0.099477 0.283823 0.316909 O\n0.099594 0.783778 0.316864 O\n","nsites":48,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.09317471688624,"density_atomic":0.11220218878014147,"volume":427.79914119193603,"volume_molar":5.367222177635319,"formula_full":"Li14 Mn4 Co6 O24","formula_reduced":"Li7Mn2(CoO4)3","formula_anonymous":"A2B3C7D12","energy":-315.59852108,"energy_per_atom":-6.574969189166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-282.61052108,"band_gap":0.6963000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.3e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:45.338000Z","spacegroup":2},{"id":"mp-780940","created_at":"2022-09-04T14:44:51.505044Z","structure_string":"Li8 Mn1 Fe7 B8 O24\n1.0\n5.239809 0.000000 0.000000\n-0.127610 9.015324 0.000000\n-0.147455 -3.402968 10.582205\nLi Mn Fe B O\n8 1 7 8 24\ndirect\n0.848357 0.381405 0.163596 Li\n0.153269 0.117664 0.338043 Li\n0.346248 0.882729 0.160649 Li\n0.652734 0.616548 0.340347 Li\n0.346538 0.382023 0.661054 Li\n0.653491 0.118053 0.838016 Li\n0.846065 0.881983 0.661130 Li\n0.153246 0.616622 0.837184 Li\n0.829588 0.698033 0.116575 Mn\n0.336043 0.200511 0.116777 Fe\n0.662725 0.300134 0.382314 Fe\n0.836763 0.201361 0.617329 Fe\n0.168953 0.802906 0.381058 Fe\n0.327829 0.701337 0.616123 Fe\n0.163223 0.300128 0.882479 Fe\n0.662266 0.799690 0.878526 Fe\n0.827837 0.037214 0.128712 B\n0.330992 0.535203 0.131284 B\n0.170369 0.464052 0.372037 B\n0.330731 0.036977 0.629855 B\n0.673097 0.963646 0.371864 B\n0.830212 0.536512 0.629573 B\n0.670303 0.463291 0.868719 B\n0.169862 0.964246 0.870495 B\n0.088421 0.032495 0.147631 O\n0.704138 0.179709 0.158212 O\n0.181634 0.397324 0.088543 O\n0.591127 0.527042 0.149073 O\n0.818345 0.102817 0.411497 O\n0.293760 0.321215 0.344407 O\n0.212493 0.679123 0.159897 O\n0.680588 0.899328 0.086005 O\n0.910249 0.467888 0.353798 O\n0.591166 0.033024 0.647371 O\n0.317140 0.602474 0.412365 O\n0.796264 0.820870 0.345172 O\n0.205107 0.178573 0.656683 O\n0.683729 0.397241 0.588612 O\n0.412714 0.967464 0.353346 O\n0.091264 0.530756 0.646879 O\n0.317318 0.102802 0.911030 O\n0.795092 0.321437 0.842659 O\n0.705217 0.678453 0.658065 O\n0.185348 0.897643 0.589070 O\n0.409718 0.467136 0.851907 O\n0.816640 0.602322 0.908575 O\n0.292292 0.821419 0.843383 O\n0.909493 0.969176 0.852081 O\n","nsites":48,"nelements":5,"elements":["Li","Mn","Fe","B","O"],"chemical_system":"B-Fe-Li-Mn-O","density":3.228326461071021,"density_atomic":0.09602145246494172,"volume":499.88829337407935,"volume_molar":6.271661806197669,"formula_full":"Li8 Mn1 Fe7 B8 O24","formula_reduced":"Li8MnFe7(BO3)8","formula_anonymous":"AB7C8D8E24","energy":-369.03884745,"energy_per_atom":-7.688309321875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-335.09084745,"band_gap":0.0018000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":33.0067318,"is_theoretical":true,"updated_at":"2021-11-28T01:36:41.788000Z","spacegroup":1},{"id":"mp-1246064","created_at":"2022-09-04T14:44:52.507403Z","structure_string":"Li24 Ni8 N16\n1.0\n8.233227 0.000000 0.000000\n5.488817 7.762361 0.000000\n-5.488817 3.881180 6.722401\nLi Ni N\n24 8 16\ndirect\n0.226612 0.029116 0.984266 Li\n0.773388 0.755728 0.515734 Li\n0.773388 0.470884 0.757653 Li\n0.226612 0.744272 0.742347 Li\n0.258081 0.757653 0.271462 Li\n0.741919 0.742347 0.013381 Li\n0.258081 0.984266 0.486619 Li\n0.741919 0.515734 0.228538 Li\n0.715158 0.013381 0.744272 Li\n0.715158 0.271462 0.470884 Li\n0.284842 0.228538 0.755728 Li\n0.284842 0.486619 0.029116 Li\n0.773388 0.970884 0.015734 Li\n0.226612 0.244272 0.484266 Li\n0.226612 0.529116 0.242347 Li\n0.773388 0.255728 0.257653 Li\n0.741919 0.242347 0.728538 Li\n0.258081 0.257653 0.986619 Li\n0.741919 0.015734 0.513381 Li\n0.258081 0.484266 0.771462 Li\n0.284842 0.986619 0.255728 Li\n0.284842 0.728538 0.529116 Li\n0.715158 0.771462 0.244272 Li\n0.715158 0.513381 0.970884 Li\n0.233522 0.000000 0.733522 Ni\n0.766478 0.733522 0.766478 Ni\n0.766478 0.500000 0.500000 Ni\n0.233522 0.766478 0.000000 Ni\n0.766478 0.000000 0.266478 Ni\n0.233522 0.266478 0.233522 Ni\n0.233522 0.500000 0.500000 Ni\n0.766478 0.233522 0.000000 Ni\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.000000 N\n0.000000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.500000 0.971112 0.750000 N\n0.500000 0.528888 0.250000 N\n0.000000 0.250000 0.721112 N\n0.000000 0.750000 0.778888 N\n0.557776 0.721112 0.528888 N\n0.442224 0.778888 0.971112 N\n0.500000 0.028888 0.250000 N\n0.500000 0.471112 0.750000 N\n0.000000 0.750000 0.278888 N\n0.000000 0.250000 0.221112 N\n0.442224 0.278888 0.471112 N\n0.557776 0.221112 0.028888 N\n","nsites":48,"nelements":3,"elements":["Li","Ni","N"],"chemical_system":"Li-N-Ni","density":3.324907605540579,"density_atomic":0.11172565161367062,"volume":429.62380891700946,"volume_molar":5.390114689886613,"formula_full":"Li24 Ni8 N16","formula_reduced":"Li3NiN2","formula_anonymous":"AB2C3","energy":-241.06183037,"energy_per_atom":-5.022121466041667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-235.28583037000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.1349207,"is_theoretical":true,"updated_at":"2021-11-28T01:36:40.499000Z","spacegroup":206},{"id":"mp-540750","created_at":"2022-09-04T14:44:51.746025Z","structure_string":"Cs4 Nb4 P8 O32\n1.0\n9.048715 0.000000 0.000000\n0.000000 4.995033 0.000000\n0.000000 3.215915 18.731646\nCs Nb P O\n4 4 8 32\ndirect\n0.289551 0.835696 0.939423 Cs\n0.789551 0.164304 0.560577 Cs\n0.710449 0.164304 0.060577 Cs\n0.210449 0.835696 0.439423 Cs\n0.942775 0.338880 0.832025 Nb\n0.442775 0.661120 0.667975 Nb\n0.057225 0.661120 0.167975 Nb\n0.557225 0.338880 0.332025 Nb\n0.715381 0.808878 0.892684 P\n0.215381 0.191122 0.607316 P\n0.284619 0.191122 0.107316 P\n0.784619 0.808878 0.392684 P\n0.619242 0.127103 0.757507 P\n0.119242 0.872897 0.742493 P\n0.380758 0.872897 0.242493 P\n0.880758 0.127103 0.257507 P\n0.066828 0.408350 0.897752 O\n0.566828 0.591650 0.602248 O\n0.933172 0.591650 0.102248 O\n0.433172 0.408350 0.397752 O\n0.773045 0.577084 0.855375 O\n0.273045 0.422916 0.644625 O\n0.226955 0.422916 0.144625 O\n0.726955 0.577084 0.355375 O\n0.841773 0.016924 0.896092 O\n0.341773 0.983076 0.603908 O\n0.158227 0.983076 0.103908 O\n0.658227 0.016924 0.396092 O\n0.638173 0.721422 0.961991 O\n0.138173 0.278578 0.538009 O\n0.361827 0.278578 0.038009 O\n0.861827 0.721422 0.461991 O\n0.591219 0.966744 0.837733 O\n0.091219 0.033256 0.662267 O\n0.408781 0.033256 0.162267 O\n0.908781 0.966744 0.337733 O\n0.778277 0.219724 0.750212 O\n0.278277 0.780276 0.749788 O\n0.221723 0.780276 0.249788 O\n0.721723 0.219724 0.250212 O\n0.004857 0.640008 0.750447 O\n0.504857 0.359992 0.749553 O\n0.995143 0.359992 0.249553 O\n0.495143 0.640008 0.250447 O\n0.081919 0.070492 0.794011 O\n0.581919 0.929508 0.705989 O\n0.918081 0.929508 0.205989 O\n0.418081 0.070492 0.294011 O\n","nsites":48,"nelements":4,"elements":["Cs","Nb","P","O"],"chemical_system":"Cs-Nb-O-P","density":3.261706600875855,"density_atomic":0.05669438180677376,"volume":846.644737455538,"volume_molar":10.622112047230196,"formula_full":"Cs4 Nb4 P8 O32","formula_reduced":"CsNb(PO4)2","formula_anonymous":"ABC2D8","energy":-381.68022287,"energy_per_atom":-7.951671309791667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-359.69622287,"band_gap":3.2312000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1471047,"is_theoretical":false,"updated_at":"2021-11-28T01:36:43.510000Z","spacegroup":14},{"id":"mp-770865","created_at":"2022-09-04T14:44:59.648480Z","structure_string":"Mn12 Sn4 O32\n1.0\n8.447033 0.000000 0.000000\n0.000000 8.447033 0.000000\n0.000000 0.000000 8.447033\nMn Sn O\n12 4 32\ndirect\n0.111497 0.138503 0.625000 Mn\n0.125000 0.388503 0.861497 Mn\n0.138503 0.625000 0.111497 Mn\n0.361497 0.375000 0.611497 Mn\n0.375000 0.611497 0.361497 Mn\n0.388503 0.861497 0.125000 Mn\n0.611497 0.361497 0.375000 Mn\n0.625000 0.111497 0.138503 Mn\n0.638503 0.875000 0.888503 Mn\n0.861497 0.125000 0.388503 Mn\n0.875000 0.888503 0.638503 Mn\n0.888503 0.638503 0.875000 Mn\n0.125000 0.875000 0.375000 Sn\n0.375000 0.125000 0.875000 Sn\n0.625000 0.625000 0.625000 Sn\n0.875000 0.375000 0.125000 Sn\n0.091726 0.123308 0.395769 O\n0.104231 0.908274 0.623308 O\n0.117949 0.617949 0.882051 O\n0.126692 0.158274 0.854231 O\n0.123308 0.395769 0.091726 O\n0.132051 0.367949 0.632051 O\n0.145769 0.626692 0.341726 O\n0.158274 0.854231 0.126692 O\n0.341726 0.145769 0.626692 O\n0.354231 0.373308 0.841726 O\n0.367949 0.632051 0.132051 O\n0.376692 0.604231 0.591726 O\n0.373308 0.841726 0.354231 O\n0.382051 0.382051 0.382051 O\n0.395769 0.091726 0.123308 O\n0.408274 0.876692 0.895769 O\n0.591726 0.376692 0.604231 O\n0.604231 0.591726 0.376692 O\n0.617949 0.882051 0.117949 O\n0.626692 0.341726 0.145769 O\n0.623308 0.104231 0.908274 O\n0.632051 0.132051 0.367949 O\n0.645769 0.873308 0.658274 O\n0.658274 0.645769 0.873308 O\n0.841726 0.354231 0.373308 O\n0.854231 0.126692 0.158274 O\n0.867949 0.867949 0.867949 O\n0.876692 0.895769 0.408274 O\n0.873308 0.658274 0.645769 O\n0.882051 0.117949 0.617949 O\n0.895769 0.408274 0.876692 O\n0.908274 0.623308 0.104231 O\n","nsites":48,"nelements":3,"elements":["Mn","Sn","O"],"chemical_system":"Mn-O-Sn","density":4.535098888647311,"density_atomic":0.07963952569293038,"volume":602.7157944796872,"volume_molar":7.561748651316475,"formula_full":"Mn12 Sn4 O32","formula_reduced":"Mn3SnO8","formula_anonymous":"AB3C8","energy":-370.35738929,"energy_per_atom":-7.715778943541667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-328.35738929,"band_gap":1.6699000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":36.0024916,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.616000Z","spacegroup":212},{"id":"mp-775735","created_at":"2022-09-04T14:44:52.911852Z","structure_string":"Sr8 Co4 C4 O12 F20\n1.0\n8.920274 0.000000 0.000000\n0.000000 5.574408 0.000000\n0.000000 3.549355 13.312731\nSr Co C O F\n8 4 4 12 20\ndirect\n0.888386 0.691503 0.097306 Sr\n0.361530 0.691290 0.083918 Sr\n0.861530 0.308710 0.416082 Sr\n0.388386 0.308497 0.402694 Sr\n0.611614 0.691503 0.597306 Sr\n0.138470 0.691290 0.583918 Sr\n0.638470 0.308710 0.916082 Sr\n0.111614 0.308497 0.902694 Sr\n0.872176 0.191204 0.673409 Co\n0.372176 0.808796 0.826591 Co\n0.627824 0.191204 0.173409 Co\n0.127824 0.808796 0.326591 Co\n0.375893 0.179148 0.636664 C\n0.875893 0.820852 0.863336 C\n0.124107 0.179148 0.136664 C\n0.624107 0.820852 0.363336 C\n0.381080 0.410177 0.585467 O\n0.368729 0.135130 0.734260 O\n0.877286 0.996030 0.908947 O\n0.118920 0.410177 0.085467 O\n0.377286 0.003970 0.591053 O\n0.868729 0.864870 0.765740 O\n0.131271 0.135130 0.234260 O\n0.622714 0.996030 0.408947 O\n0.881080 0.589823 0.914533 O\n0.122714 0.003970 0.091053 O\n0.631271 0.864870 0.265740 O\n0.618920 0.589823 0.414533 O\n0.961192 0.671561 0.272910 F\n0.282788 0.669752 0.264236 F\n0.130283 0.471548 0.434415 F\n0.630283 0.528452 0.065585 F\n0.512297 0.916543 0.913636 F\n0.717217 0.106303 0.585810 F\n0.782788 0.330248 0.235764 F\n0.461192 0.328439 0.227090 F\n0.217217 0.893697 0.914190 F\n0.012297 0.083457 0.586364 F\n0.987703 0.916543 0.413636 F\n0.782783 0.106303 0.085810 F\n0.538808 0.671561 0.772910 F\n0.217212 0.669752 0.764236 F\n0.282783 0.893697 0.414190 F\n0.487703 0.083457 0.086364 F\n0.369717 0.471548 0.934415 F\n0.869717 0.528452 0.565585 F\n0.717212 0.330248 0.735764 F\n0.038808 0.328439 0.727090 F\n","nsites":48,"nelements":5,"elements":["Sr","Co","C","O","F"],"chemical_system":"C-Co-F-O-Sr","density":3.9048911050806394,"density_atomic":0.07250987122952006,"volume":661.9788338619796,"volume_molar":8.305270245119784,"formula_full":"Sr8 Co4 C4 O12 F20","formula_reduced":"Sr2CoCO3F5","formula_anonymous":"ABC2D3E5","energy":-316.76154421,"energy_per_atom":-6.599198837708333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-292.72554421,"band_gap":0.712,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.29e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:42.934000Z","spacegroup":14},{"id":"mp-554999","created_at":"2022-09-04T14:45:00.155645Z","structure_string":"Zn24 S24\n1.0\n1.926679 -3.337106 0.000000\n1.926679 3.337106 0.000000\n0.000000 0.000000 75.587511\nZn S\n24 24\ndirect\n0.000000 0.000000 0.916668 Zn\n0.666667 0.333333 0.833342 Zn\n0.666667 0.333333 0.333333 Zn\n0.000000 0.000000 0.291671 Zn\n0.000000 0.000000 0.541668 Zn\n0.666667 0.333333 0.083333 Zn\n0.333333 0.666667 0.458342 Zn\n0.000000 0.000000 0.791668 Zn\n0.666667 0.333333 0.583342 Zn\n0.333333 0.666667 0.250011 Zn\n0.666667 0.333333 0.208330 Zn\n0.666667 0.333333 0.749998 Zn\n0.000000 0.000000 0.666668 Zn\n0.333333 0.666667 0.041672 Zn\n0.000000 0.000000 0.125001 Zn\n0.333333 0.666667 0.166668 Zn\n0.666667 0.333333 0.958330 Zn\n0.333333 0.666667 0.374998 Zn\n0.000000 0.000000 0.416668 Zn\n0.333333 0.666667 0.624998 Zn\n0.333333 0.666667 0.708342 Zn\n0.000000 0.000000 0.000010 Zn\n0.666667 0.333333 0.499998 Zn\n0.333333 0.666667 0.875001 Zn\n0.333333 0.666667 0.656225 S\n0.333333 0.666667 0.197893 S\n0.666667 0.333333 0.531225 S\n0.666667 0.333333 0.781225 S\n0.333333 0.666667 0.906248 S\n0.333333 0.666667 0.406226 S\n0.000000 0.000000 0.697939 S\n0.666667 0.333333 0.864578 S\n0.666667 0.333333 0.239602 S\n0.333333 0.666667 0.739578 S\n0.666667 0.333333 0.114579 S\n0.333333 0.666667 0.281247 S\n0.666667 0.333333 0.614578 S\n0.666667 0.333333 0.989602 S\n0.666667 0.333333 0.364579 S\n0.000000 0.000000 0.322915 S\n0.333333 0.666667 0.072916 S\n0.333333 0.666667 0.489578 S\n0.000000 0.000000 0.156248 S\n0.000000 0.000000 0.822938 S\n0.000000 0.000000 0.572939 S\n0.000000 0.000000 0.447939 S\n0.000000 0.000000 0.947893 S\n0.000000 0.000000 0.031247 S\n","nsites":48,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.9965911420937625,"density_atomic":0.04938349596030776,"volume":971.9846492556997,"volume_molar":12.194642446618861,"formula_full":"Zn24 S24","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-180.48835638,"energy_per_atom":-3.76017409125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-168.41635638,"band_gap":2.0197000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":3.06e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:53.859000Z","spacegroup":156},{"id":"mp-754032","created_at":"2022-09-04T14:44:51.658481Z","structure_string":"Li8 Ni4 P8 O28\n1.0\n-0.000024 4.998339 -0.000225\n-8.808635 -0.001308 0.338983\n-1.363765 2.501089 12.850973\nLi Ni P O\n8 4 8 28\ndirect\n0.238243 0.436485 0.408723 Li\n0.738274 0.936576 0.408611 Li\n0.900946 0.311792 0.091703 Li\n0.401090 0.811827 0.091565 Li\n0.602546 0.184788 0.908385 Li\n0.102741 0.684873 0.908458 Li\n0.261288 0.064478 0.591641 Li\n0.761311 0.564234 0.591486 Li\n0.250086 0.750697 0.499790 Ni\n0.001926 0.998311 0.000086 Ni\n0.750302 0.250428 0.500356 Ni\n0.501553 0.498398 0.000202 Ni\n0.224000 0.390304 0.630369 P\n0.723801 0.890307 0.630039 P\n0.102840 0.358664 0.870415 P\n0.603426 0.858638 0.870160 P\n0.400218 0.137743 0.130233 P\n0.900275 0.637754 0.130196 P\n0.276735 0.110169 0.370195 P\n0.776719 0.610125 0.370137 P\n0.067829 0.374566 0.750350 O\n0.568291 0.874177 0.750128 O\n0.434068 0.122506 0.250511 O\n0.934090 0.622516 0.250453 O\n0.284760 0.492893 0.881934 O\n0.785178 0.992841 0.881706 O\n0.417305 0.256108 0.619267 O\n0.916751 0.756075 0.618323 O\n0.084345 0.244898 0.380695 O\n0.584443 0.744892 0.380589 O\n0.219834 0.003080 0.118529 O\n0.719732 0.503060 0.118527 O\n0.807538 0.368493 0.928072 O\n0.308205 0.868426 0.927820 O\n0.987929 0.380142 0.572108 O\n0.487376 0.880461 0.571920 O\n0.512729 0.120402 0.428539 O\n0.012697 0.620282 0.428423 O\n0.695375 0.128316 0.072507 O\n0.195372 0.628345 0.072491 O\n0.628597 0.453101 0.401465 O\n0.128743 0.953187 0.401401 O\n0.284216 0.294952 0.099283 O\n0.784281 0.794881 0.099212 O\n0.218817 0.201235 0.901065 O\n0.719526 0.701084 0.900819 O\n0.870022 0.047924 0.599744 O\n0.370025 0.547987 0.599761 O\n","nsites":48,"nelements":4,"elements":["Li","Ni","P","O"],"chemical_system":"Li-Ni-O-P","density":2.9057755631336537,"density_atomic":0.08518130800096015,"volume":563.5039086211139,"volume_molar":7.069791367763594,"formula_full":"Li8 Ni4 P8 O28","formula_reduced":"Li2NiP2O7","formula_anonymous":"AB2C2D7","energy":-338.968963,"energy_per_atom":-7.0618533958333325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-309.568963,"band_gap":4.1257,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:45.077000Z","spacegroup":15},{"id":"mp-1080855","created_at":"2022-09-04T14:44:29.438275Z","structure_string":"Ce16 Se32\n1.0\n11.445067 15.910759 0.000000\n-11.445067 15.910759 0.000000\n0.000000 2.664771 12.730939\nCe Se\n16 32\ndirect\n0.373805 0.601470 0.300985 Ce\n0.601470 0.373805 0.300985 Ce\n0.626195 0.398530 0.699015 Ce\n0.398530 0.626195 0.699015 Ce\n0.532873 0.761965 0.099211 Ce\n0.761965 0.532873 0.099211 Ce\n0.467127 0.238035 0.900789 Ce\n0.238035 0.467127 0.900789 Ce\n0.138307 0.363936 0.621503 Ce\n0.363936 0.138307 0.621503 Ce\n0.861693 0.636064 0.378497 Ce\n0.636064 0.861693 0.378497 Ce\n0.135296 0.542285 0.272178 Ce\n0.542285 0.135296 0.272178 Ce\n0.864704 0.457715 0.727822 Ce\n0.457715 0.864704 0.727822 Ce\n0.421026 0.705676 0.171151 Se\n0.705676 0.421026 0.171151 Se\n0.578974 0.294324 0.828849 Se\n0.294324 0.578974 0.828849 Se\n0.238024 0.609695 0.265456 Se\n0.609695 0.238024 0.265456 Se\n0.761976 0.390305 0.734544 Se\n0.390305 0.761976 0.734544 Se\n0.498419 0.854686 0.921142 Se\n0.854686 0.498419 0.921142 Se\n0.501581 0.145314 0.078858 Se\n0.145314 0.501581 0.078858 Se\n0.374422 0.625578 0.500000 Se\n0.625578 0.374422 0.500000 Se\n0.157131 0.423707 0.418466 Se\n0.423707 0.157131 0.418466 Se\n0.842869 0.576293 0.581534 Se\n0.576293 0.842869 0.581534 Se\n0.556745 0.830504 0.248638 Se\n0.830504 0.556745 0.248638 Se\n0.443255 0.169496 0.751362 Se\n0.169496 0.443255 0.751362 Se\n0.468877 0.468877 0.275451 Se\n0.531123 0.531123 0.724549 Se\n0.998996 0.362737 0.678918 Se\n0.362737 0.998996 0.678918 Se\n0.001004 0.637263 0.321082 Se\n0.637263 0.001004 0.321082 Se\n0.655606 0.655606 0.044585 Se\n0.344394 0.344394 0.955415 Se\n0.222722 0.222722 0.645407 Se\n0.777278 0.777278 0.354593 Se\n","nsites":48,"nelements":2,"elements":["Ce","Se"],"chemical_system":"Ce-Se","density":1.7078044320729904,"density_atomic":0.010352412477737145,"volume":4636.600415915031,"volume_molar":58.17137573440595,"formula_full":"Ce16 Se32","formula_reduced":"CeSe2","formula_anonymous":"AB2","energy":-273.77784722,"energy_per_atom":-5.703705150416667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-258.67384722,"band_gap":0.9985,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0324468,"is_theoretical":true,"updated_at":"2021-11-28T01:36:38.800000Z","spacegroup":12},{"id":"mp-19472","created_at":"2022-09-04T14:45:08.630622Z","structure_string":"Rb8 Mn4 V8 O28\n1.0\n8.758170 0.000000 0.000000\n0.000000 8.758170 0.000000\n0.000000 0.000000 12.059098\nRb Mn V O\n8 4 8 28\ndirect\n0.150619 0.849381 0.500000 Rb\n0.650619 0.650619 0.000000 Rb\n0.349381 0.349381 0.000000 Rb\n0.849381 0.150619 0.500000 Rb\n0.679627 0.679627 0.500000 Rb\n0.820373 0.179627 0.000000 Rb\n0.179627 0.820373 0.000000 Rb\n0.320373 0.320373 0.500000 Rb\n0.000000 0.500000 0.750000 Mn\n0.000000 0.500000 0.250000 Mn\n0.500000 0.000000 0.750000 Mn\n0.500000 0.000000 0.250000 Mn\n0.639149 0.360851 0.716072 V\n0.360851 0.639149 0.716072 V\n0.360851 0.639149 0.283928 V\n0.860851 0.860851 0.216072 V\n0.139149 0.139149 0.216072 V\n0.860851 0.860851 0.783928 V\n0.139149 0.139149 0.783928 V\n0.639149 0.360851 0.283928 V\n0.640222 0.359778 0.855536 O\n0.359778 0.640222 0.855536 O\n0.359778 0.640222 0.144464 O\n0.859778 0.859778 0.355536 O\n0.140222 0.140222 0.355536 O\n0.859778 0.859778 0.644464 O\n0.140222 0.140222 0.644464 O\n0.640222 0.359778 0.144464 O\n0.500000 0.500000 0.663626 O\n0.000000 0.000000 0.163626 O\n0.000000 0.000000 0.836374 O\n0.500000 0.500000 0.336374 O\n0.183498 0.586693 0.337477 O\n0.816502 0.413307 0.337477 O\n0.586693 0.183498 0.662523 O\n0.086693 0.316502 0.837477 O\n0.913307 0.683498 0.837477 O\n0.316502 0.086693 0.162523 O\n0.683498 0.913307 0.162523 O\n0.413307 0.816502 0.662523 O\n0.586693 0.183498 0.337477 O\n0.316502 0.086693 0.837477 O\n0.683498 0.913307 0.837477 O\n0.086693 0.316502 0.162523 O\n0.913307 0.683498 0.162523 O\n0.413307 0.816502 0.337477 O\n0.183498 0.586693 0.662523 O\n0.816502 0.413307 0.662523 O\n","nsites":48,"nelements":4,"elements":["Rb","Mn","V","O"],"chemical_system":"Mn-O-Rb-V","density":3.1577357609986545,"density_atomic":0.05189191180194462,"volume":924.9996450930764,"volume_molar":11.605162636876145,"formula_full":"Rb8 Mn4 V8 O28","formula_reduced":"Rb2MnV2O7","formula_anonymous":"AB2C2D7","energy":-370.37677211,"energy_per_atom":-7.716182752291666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-330.86877211,"band_gap":2.2777000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9989349,"is_theoretical":false,"updated_at":"2021-11-28T01:36:46.300000Z","spacegroup":136},{"id":"mp-560773","created_at":"2022-09-04T14:44:59.401416Z","structure_string":"K8 Na4 S8 Cl4 O24\n1.0\n12.322206 0.000000 0.000000\n0.000000 12.322206 0.000000\n0.000000 0.000000 5.670747\nK Na S Cl O\n8 4 8 4 24\ndirect\n0.055374 0.250151 0.482607 K\n0.750151 0.444626 0.482607 K\n0.444626 0.249849 0.517393 K\n0.944626 0.749849 0.482607 K\n0.249849 0.555374 0.482607 K\n0.250151 0.944626 0.517393 K\n0.555374 0.750151 0.517393 K\n0.749849 0.055374 0.517393 K\n0.500000 0.000000 0.947224 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.052776 Na\n0.500000 0.500000 0.000000 Na\n0.759122 0.837717 0.024490 S\n0.662283 0.259122 0.024490 S\n0.837717 0.240878 0.975510 S\n0.259122 0.337717 0.975510 S\n0.740878 0.662283 0.975510 S\n0.240878 0.162283 0.024490 S\n0.337717 0.740878 0.024490 S\n0.162283 0.759122 0.975510 S\n0.500000 0.000000 0.438482 Cl\n0.000000 0.000000 0.500000 Cl\n0.000000 0.500000 0.561518 Cl\n0.500000 0.500000 0.500000 Cl\n0.867512 0.860447 0.928188 O\n0.139553 0.867512 0.071812 O\n0.387046 0.830015 0.888564 O\n0.749459 0.647196 0.718930 O\n0.169985 0.387046 0.111436 O\n0.112954 0.669985 0.111436 O\n0.639553 0.367512 0.928188 O\n0.647196 0.250541 0.281070 O\n0.147196 0.750541 0.718930 O\n0.249459 0.147196 0.281070 O\n0.367512 0.360447 0.071812 O\n0.330015 0.112954 0.888564 O\n0.632488 0.639553 0.071812 O\n0.132488 0.139553 0.928188 O\n0.352804 0.749459 0.281070 O\n0.360447 0.632488 0.928188 O\n0.860447 0.132488 0.071812 O\n0.750541 0.852804 0.281070 O\n0.852804 0.249459 0.718930 O\n0.612954 0.169985 0.888564 O\n0.887046 0.330015 0.111436 O\n0.250541 0.352804 0.718930 O\n0.669985 0.887046 0.888564 O\n0.830015 0.612954 0.111436 O\n","nsites":48,"nelements":5,"elements":["K","Na","S","Cl","O"],"chemical_system":"Cl-K-Na-O-S","density":2.2893157312173207,"density_atomic":0.055747325369846154,"volume":861.0278552657398,"volume_molar":10.802564463939984,"formula_full":"K8 Na4 S8 Cl4 O24","formula_reduced":"K2NaS2ClO6","formula_anonymous":"ABC2D2E6","energy":-273.54734828,"energy_per_atom":-5.6989030891666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-254.60334828,"band_gap":4.8818,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0010111,"is_theoretical":false,"updated_at":"2021-11-28T01:36:48.398000Z","spacegroup":85},{"id":"mp-1225419","created_at":"2022-09-04T14:44:55.067384Z","structure_string":"Fe16 Ni20 P12\n1.0\n4.405960 0.000000 0.000000\n-2.180414 -6.322827 0.000000\n-2.182097 0.011895 -19.009696\nFe Ni P\n16 20 12\ndirect\n0.143597 0.815700 0.009057 Fe\n0.812542 0.816248 0.342510 Fe\n0.479091 0.816465 0.675518 Fe\n0.983709 0.184562 0.323302 Fe\n0.651920 0.184388 0.656706 Fe\n0.320469 0.184763 0.990690 Fe\n0.816996 0.032449 0.061259 Fe\n0.479569 0.028281 0.394125 Fe\n0.145775 0.028737 0.727385 Fe\n0.390030 0.967892 0.271891 Fe\n0.057680 0.968141 0.605171 Fe\n0.723847 0.967939 0.938628 Fe\n0.389794 0.603871 0.223648 Fe\n0.061103 0.606373 0.557528 Fe\n0.727877 0.606366 0.890757 Fe\n0.229957 0.396102 0.109795 Fe\n0.561110 0.610772 0.017282 Ni\n0.230823 0.611064 0.350932 Ni\n0.896805 0.611118 0.684293 Ni\n0.599169 0.387966 0.316290 Ni\n0.266183 0.387726 0.649966 Ni\n0.933647 0.388913 0.983244 Ni\n0.341907 0.050618 0.129577 Ni\n0.008099 0.052119 0.462848 Ni\n0.674561 0.051896 0.796254 Ni\n0.829218 0.949394 0.203723 Ni\n0.497386 0.950563 0.537072 Ni\n0.163884 0.950392 0.870386 Ni\n0.894222 0.395381 0.443083 Ni\n0.561377 0.395387 0.776374 Ni\n0.922713 0.668886 0.131493 Ni\n0.589600 0.668932 0.464925 Ni\n0.255968 0.668914 0.798179 Ni\n0.787844 0.331537 0.201727 Ni\n0.454445 0.332348 0.534865 Ni\n0.121739 0.331925 0.868106 Ni\n0.940506 0.661456 0.253242 P\n0.607155 0.660412 0.586450 P\n0.272893 0.660669 0.919460 P\n0.691578 0.338030 0.080628 P\n0.355175 0.336105 0.413249 P\n0.021769 0.336034 0.746718 P\n0.453999 0.758685 0.113650 P\n0.119769 0.758245 0.447259 P\n0.786267 0.758335 0.780424 P\n0.248124 0.241735 0.219838 P\n0.915572 0.243201 0.553643 P\n0.582539 0.242963 0.886853 P\n","nsites":48,"nelements":3,"elements":["Fe","Ni","P"],"chemical_system":"Fe-Ni-P","density":7.647982769489418,"density_atomic":0.09063881446370199,"volume":529.5744464886233,"volume_molar":6.644108040944952,"formula_full":"Fe16 Ni20 P12","formula_reduced":"Fe4Ni5P3","formula_anonymous":"A3B4C5","energy":-334.98814743,"energy_per_atom":-6.9789197381250005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-334.98814743,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":35.3939034,"is_theoretical":true,"updated_at":"2021-11-28T01:36:40.603000Z","spacegroup":1}]}