{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=10177","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=10175","results":[{"id":"mp-1190029","created_at":"2022-09-04T14:47:17.892421Z","structure_string":"Sm12 Os4\n1.0\n6.466451 0.000000 0.000000\n0.000000 7.480837 0.000000\n0.000000 0.000000 9.443188\nSm Os\n12 4\ndirect\n0.330683 0.676650 0.064782 Sm\n0.169317 0.176650 0.435218 Sm\n0.669317 0.323350 0.564782 Sm\n0.830683 0.823350 0.935218 Sm\n0.669317 0.323350 0.935218 Sm\n0.830683 0.823350 0.564782 Sm\n0.330683 0.676650 0.435218 Sm\n0.169317 0.176650 0.064782 Sm\n0.863282 0.540179 0.250000 Sm\n0.636718 0.040179 0.250000 Sm\n0.136718 0.459821 0.750000 Sm\n0.363282 0.959821 0.750000 Sm\n0.046694 0.885539 0.250000 Os\n0.453306 0.385539 0.250000 Os\n0.953306 0.114461 0.750000 Os\n0.546694 0.614461 0.750000 Os\n","nsites":16,"nelements":2,"elements":["Sm","Os"],"chemical_system":"Os-Sm","density":9.324859175432193,"density_atomic":0.03502556613247034,"volume":456.8091758884448,"volume_molar":17.19355723537383,"formula_full":"Sm12 Os4","formula_reduced":"Sm3Os","formula_anonymous":"AB3","energy":-104.06490081,"energy_per_atom":-6.504056300625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-104.06490081,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0043424,"is_theoretical":false,"updated_at":"2021-11-28T01:38:00.204000Z","spacegroup":62},{"id":"mp-1205287","created_at":"2022-09-04T14:47:17.893533Z","structure_string":"K2 V10 Ni2 O44\n1.0\n9.821211 0.000000 0.000000\n2.788673 10.520912 0.000000\n3.989480 3.621021 9.564590\nK V Ni O\n2 10 2 44\ndirect\n0.277257 0.279083 0.435057 K\n0.722743 0.720917 0.564943 K\n0.628091 0.315462 0.759434 V\n0.371909 0.684538 0.240566 V\n0.321616 0.261707 0.765736 V\n0.678384 0.738293 0.234264 V\n0.612737 0.052382 0.709106 V\n0.387263 0.947618 0.290894 V\n0.360054 0.243934 0.048309 V\n0.639946 0.756066 0.951691 V\n0.339650 0.975535 0.007883 V\n0.660350 0.024465 0.992117 V\n0.802921 0.311597 0.174160 Ni\n0.197079 0.688403 0.825840 Ni\n0.465757 0.374403 0.693693 O\n0.534243 0.625597 0.306307 O\n0.607178 0.352968 0.163603 O\n0.392822 0.647032 0.836397 O\n0.738207 0.059960 0.303863 O\n0.261793 0.940040 0.696137 O\n0.928346 0.276503 0.281814 O\n0.071654 0.723497 0.718186 O\n0.605595 0.359185 0.280210 O\n0.394405 0.640815 0.719790 O\n0.929614 0.403247 0.295244 O\n0.070386 0.596753 0.704756 O\n0.203946 0.340543 0.677244 O\n0.796054 0.659457 0.322756 O\n0.923696 0.286130 0.032169 O\n0.076304 0.713870 0.967831 O\n0.726077 0.441290 0.675740 O\n0.273923 0.558710 0.324260 O\n0.001786 0.390684 0.373247 O\n0.998214 0.609316 0.626753 O\n0.157948 0.031608 0.689256 O\n0.842052 0.968392 0.310744 O\n0.447169 0.152655 0.660216 O\n0.552831 0.847345 0.339784 O\n0.248681 0.309479 0.929809 O\n0.751319 0.690521 0.070191 O\n0.706450 0.196857 0.655226 O\n0.293550 0.803143 0.344774 O\n0.508629 0.345988 0.927511 O\n0.491371 0.654012 0.072489 O\n0.489457 0.117745 0.901985 O\n0.510543 0.882255 0.098015 O\n0.487115 0.904387 0.867197 O\n0.512885 0.095613 0.132803 O\n0.236750 0.087443 0.897820 O\n0.763250 0.912557 0.102180 O\n0.280512 0.310651 0.169996 O\n0.719488 0.689349 0.830004 O\n0.280533 0.060748 0.142231 O\n0.719467 0.939252 0.857769 O\n0.259431 0.827121 0.110727 O\n0.740569 0.172879 0.889273 O\n0.692683 0.975889 0.595692 O\n0.307317 0.024111 0.404308 O\n","nsites":58,"nelements":4,"elements":["K","V","Ni","O"],"chemical_system":"K-Ni-O-V","density":2.3673729029720687,"density_atomic":0.058687175172111014,"volume":988.2908800756597,"volume_molar":10.261425502827418,"formula_full":"K2 V10 Ni2 O44","formula_reduced":"KV5NiO22","formula_anonymous":"ABC5D22","energy":-382.69948606,"energy_per_atom":-6.5982670010344835,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-360.61748606,"band_gap":0.0017,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9999627,"is_theoretical":true,"updated_at":"2021-11-28T01:37:59.522000Z","spacegroup":2},{"id":"mp-31096","created_at":"2022-09-04T14:47:17.911523Z","structure_string":"Li6 Al2 H12\n1.0\n3.911904 -4.008153 0.000000\n3.911904 4.008153 0.000000\n-0.194867 0.000000 5.597349\nLi Al H\n6 2 12\ndirect\n0.566968 0.748774 0.061007 Li\n0.748774 0.061007 0.566968 Li\n0.433032 0.251226 0.938993 Li\n0.251226 0.938993 0.433032 Li\n0.061007 0.566968 0.748774 Li\n0.938993 0.433032 0.251226 Li\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.951734 0.089060 0.295345 H\n0.048266 0.910940 0.704655 H\n0.426469 0.205037 0.569523 H\n0.205037 0.569523 0.426469 H\n0.569523 0.426469 0.205037 H\n0.573531 0.794963 0.430477 H\n0.794963 0.430477 0.573531 H\n0.430477 0.573531 0.794963 H\n0.910940 0.704655 0.048266 H\n0.295345 0.951734 0.089060 H\n0.089060 0.295345 0.951734 H\n0.704655 0.048266 0.910940 H\n","nsites":20,"nelements":3,"elements":["Li","Al","H"],"chemical_system":"Al-H-Li","density":1.0189139515664403,"density_atomic":0.11394233994428243,"volume":175.52737647638233,"volume_molar":5.285252841871436,"formula_full":"Li6 Al2 H12","formula_reduced":"Li3AlH6","formula_anonymous":"AB3C6","energy":-67.18212724,"energy_per_atom":-3.359106362,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.03412724,"band_gap":3.5929,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.55e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:38:05.975000Z","spacegroup":148},{"id":"mp-1180260","created_at":"2022-09-04T14:47:17.993289Z","structure_string":"Mg1 O2\n1.0\n1.711037 2.761302 0.000000\n-1.711037 2.761302 0.000000\n0.000000 0.310714 3.572217\nMg O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.371348 0.371348 0.758955 O\n0.628652 0.628652 0.241045 O\n","nsites":3,"nelements":2,"elements":["Mg","O"],"chemical_system":"Mg-O","density":2.7697825017806625,"density_atomic":0.08887510313374423,"volume":33.75523509081539,"volume_molar":6.775959236792723,"formula_full":"Mg1 O2","formula_reduced":"MgO2","formula_anonymous":"AB2","energy":-15.98825309,"energy_per_atom":-5.329417696666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.61425309,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9998622,"is_theoretical":true,"updated_at":"2021-11-28T01:38:06.386000Z","spacegroup":12},{"id":"mp-1195382","created_at":"2022-09-04T14:47:17.894030Z","structure_string":"Li4 Sn2 H28 Se6 O14\n1.0\n7.559669 0.000000 0.000000\n2.540614 9.225844 0.000000\n3.404835 1.513295 10.046058\nLi Sn H Se O\n4 2 28 6 14\ndirect\n0.690092 0.085574 0.217874 Li\n0.309908 0.914426 0.782126 Li\n0.057164 0.256202 0.130387 Li\n0.942836 0.743798 0.869613 Li\n0.592077 0.375427 0.623049 Sn\n0.407923 0.624573 0.376951 Sn\n0.792138 0.223671 0.343158 H\n0.207862 0.776329 0.656842 H\n0.227078 0.437127 0.195580 H\n0.772922 0.562873 0.804420 H\n0.376384 0.023530 0.396409 H\n0.623616 0.976470 0.603591 H\n0.892311 0.822703 0.164786 H\n0.107689 0.177297 0.835214 H\n0.689424 0.056697 0.981156 H\n0.310576 0.943303 0.018844 H\n0.223828 0.007183 0.227144 H\n0.776172 0.992817 0.772856 H\n0.002113 0.405331 0.900589 H\n0.997887 0.594669 0.099411 H\n0.599863 0.223023 0.991760 H\n0.400137 0.776977 0.008240 H\n0.397323 0.175451 0.417877 H\n0.602677 0.824549 0.582123 H\n0.705070 0.337941 0.232635 H\n0.294930 0.662059 0.767365 H\n0.213214 0.349388 0.904233 H\n0.786786 0.650612 0.095767 H\n0.016699 0.444015 0.287337 H\n0.983301 0.555985 0.712663 H\n0.376852 0.090339 0.121457 H\n0.623148 0.909661 0.878543 H\n0.944416 0.862096 0.282776 H\n0.055584 0.137904 0.717224 H\n0.715358 0.597566 0.454826 Se\n0.284642 0.402434 0.545174 Se\n0.485851 0.444339 0.852837 Se\n0.514149 0.555661 0.147163 Se\n0.831538 0.144707 0.568046 Se\n0.168462 0.855293 0.431954 Se\n0.797028 0.243306 0.247134 O\n0.202972 0.756694 0.752866 O\n0.623321 0.125919 0.046937 O\n0.376679 0.874081 0.953063 O\n0.452636 0.100245 0.359417 O\n0.547364 0.899755 0.640583 O\n0.876039 0.902817 0.214795 O\n0.123961 0.097183 0.785205 O\n0.100007 0.423835 0.198879 O\n0.899993 0.576165 0.801121 O\n0.087473 0.318782 0.935717 O\n0.912527 0.681218 0.064283 O\n0.247982 0.070496 0.138554 O\n0.752018 0.929504 0.861446 O\n","nsites":54,"nelements":5,"elements":["Li","Sn","H","Se","O"],"chemical_system":"H-Li-O-Se-Sn","density":2.349023625278428,"density_atomic":0.07707068011357493,"volume":700.6555530640588,"volume_molar":7.813789564495207,"formula_full":"Li4 Sn2 H28 Se6 O14","formula_reduced":"Li2SnH14Se3O7","formula_anonymous":"AB2C3D7E14","energy":-267.77728432,"energy_per_atom":-4.958838598518518,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-255.32728432,"band_gap":1.9732,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0979326,"is_theoretical":false,"updated_at":"2021-11-28T01:38:05.255000Z","spacegroup":2},{"id":"mp-1218465","created_at":"2022-09-04T14:47:17.894973Z","structure_string":"Sr1 Ca3 Ru4 O12\n1.0\n7.792950 0.000000 0.000000\n0.000000 5.473169 0.000000\n0.000000 0.007900 5.609544\nSr Ca Ru O\n1 3 4 12\ndirect\n0.500000 0.490292 0.544095 Sr\n0.500000 0.011800 0.050424 Ca\n0.000000 0.511355 0.447377 Ca\n0.000000 0.989661 0.949488 Ca\n0.247445 0.000320 0.500071 Ru\n0.752194 0.499611 0.999856 Ru\n0.752555 0.000320 0.500071 Ru\n0.247806 0.499611 0.999856 Ru\n0.294282 0.195455 0.800952 O\n0.712399 0.292347 0.288453 O\n0.799553 0.798592 0.203612 O\n0.199643 0.699665 0.703647 O\n0.200447 0.798592 0.203612 O\n0.800357 0.699665 0.703647 O\n0.705718 0.195455 0.800952 O\n0.287601 0.292347 0.288453 O\n0.500000 0.591832 0.989508 O\n0.500000 0.932288 0.471819 O\n0.000000 0.408755 0.025544 O\n0.000000 0.092036 0.528563 O\n","nsites":20,"nelements":4,"elements":["Sr","Ca","Ru","O"],"chemical_system":"Ca-O-Ru-Sr","density":5.5809139570932915,"density_atomic":0.08359141725080914,"volume":239.25901315911003,"volume_molar":7.204257276714264,"formula_full":"Sr1 Ca3 Ru4 O12","formula_reduced":"SrCa3(RuO3)4","formula_anonymous":"AB3C4D12","energy":-148.39716408,"energy_per_atom":-7.4198582040000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.15316408,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9999637,"is_theoretical":true,"updated_at":"2021-11-28T01:37:59.129000Z","spacegroup":6},{"id":"mp-1366540","created_at":"2022-09-04T14:47:17.897298Z","structure_string":"Ca4 Ta2 Mo2 O12\n1.0\n7.958917 0.000000 0.000000\n0.000000 5.574518 0.000000\n0.000000 0.037223 5.751767\nCa Ta Mo O\n4 2 2 12\ndirect\n0.750000 0.990199 0.043815 Ca\n0.750000 0.509587 0.562092 Ca\n0.250000 0.490413 0.437908 Ca\n0.250000 0.009801 0.956185 Ca\n0.000000 0.000000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.000000 0.500000 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n0.447640 0.186830 0.214185 O\n0.549696 0.710346 0.311723 O\n0.552360 0.813170 0.785815 O\n0.049696 0.289654 0.688277 O\n0.250000 0.906948 0.533135 O\n0.450304 0.289654 0.688277 O\n0.950304 0.710346 0.311723 O\n0.052360 0.186830 0.214185 O\n0.750000 0.382036 0.951659 O\n0.947640 0.813170 0.785815 O\n0.250000 0.617964 0.048341 O\n0.750000 0.093052 0.466865 O\n","nsites":20,"nelements":4,"elements":["Ca","Ta","Mo","O"],"chemical_system":"Ca-Mo-O-Ta","density":5.895943697073266,"density_atomic":0.07837316997305446,"volume":255.18937165456256,"volume_molar":7.68393158279865,"formula_full":"Ca4 Ta2 Mo2 O12","formula_reduced":"Ca2TaMoO6","formula_anonymous":"ABC2D6","energy":-174.49830853999998,"energy_per_atom":-8.724915427,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.85030854,"band_gap":1.4283,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0035494,"is_theoretical":true,"updated_at":"2021-11-28T01:38:00.033000Z","spacegroup":11},{"id":"mp-757009","created_at":"2022-09-04T14:47:17.900865Z","structure_string":"Li4 Cr2 Co4 O12\n1.0\n2.462945 -4.295359 0.000000\n2.462945 4.295359 0.000000\n0.000000 0.000000 9.977157\nLi Cr Co O\n4 2 4 12\ndirect\n0.664121 0.164121 0.250000 Li\n0.835879 0.335879 0.750000 Li\n0.164121 0.664121 0.250000 Li\n0.335879 0.835879 0.750000 Li\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.833975 0.166025 0.500000 Co\n0.333975 0.666025 0.000000 Co\n0.666025 0.333975 0.000000 Co\n0.166025 0.833975 0.500000 Co\n0.668997 0.668997 0.096663 O\n0.831003 0.831003 0.596663 O\n0.168997 0.168997 0.403337 O\n0.495647 0.838691 0.396238 O\n0.331003 0.331003 0.903337 O\n0.661309 0.004353 0.896238 O\n0.995647 0.338691 0.103762 O\n0.161309 0.504353 0.603762 O\n0.504353 0.161309 0.603762 O\n0.838691 0.495647 0.396238 O\n0.004353 0.661309 0.896238 O\n0.338691 0.995647 0.103762 O\n","nsites":22,"nelements":4,"elements":["Li","Cr","Co","O"],"chemical_system":"Co-Cr-Li-O","density":4.400925961298576,"density_atomic":0.10421535151575777,"volume":211.1013366075296,"volume_molar":5.778554380339473,"formula_full":"Li4 Cr2 Co4 O12","formula_reduced":"Li2Cr(CoO3)2","formula_anonymous":"AB2C2D6","energy":-153.82687539,"energy_per_atom":-6.992130699545455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-135.03287539,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.00389,"is_theoretical":true,"updated_at":"2021-11-28T01:38:05.549000Z","spacegroup":64},{"id":"mp-733455","created_at":"2022-09-04T14:47:17.907377Z","structure_string":"Li12 H24 Rh4\n1.0\n4.748096 0.000000 0.000000\n0.000000 8.453644 0.000000\n0.000000 0.000000 8.547108\nLi H Rh\n12 24 4\ndirect\n0.250000 0.545429 0.875129 Li\n0.250000 0.045429 0.624871 Li\n0.750000 0.454571 0.124871 Li\n0.750000 0.954571 0.375129 Li\n0.250000 0.897451 0.982208 Li\n0.250000 0.397451 0.517792 Li\n0.750000 0.102549 0.017792 Li\n0.750000 0.602549 0.482208 Li\n0.250000 0.718148 0.256519 Li\n0.250000 0.218148 0.243481 Li\n0.750000 0.281852 0.743481 Li\n0.750000 0.781852 0.756519 Li\n0.501059 0.846924 0.538445 H\n0.998941 0.346924 0.961555 H\n0.001059 0.153076 0.461555 H\n0.498941 0.653076 0.038445 H\n0.498941 0.153076 0.461555 H\n0.001059 0.653076 0.038445 H\n0.998941 0.846924 0.538445 H\n0.501059 0.346924 0.961555 H\n0.494179 0.608940 0.683372 H\n0.005821 0.108940 0.816628 H\n0.994179 0.391060 0.316628 H\n0.505821 0.891060 0.183372 H\n0.505821 0.391060 0.316628 H\n0.994179 0.891060 0.183372 H\n0.005821 0.608940 0.683372 H\n0.494179 0.108940 0.816628 H\n0.250000 0.613880 0.447749 H\n0.250000 0.113880 0.052251 H\n0.750000 0.386120 0.552251 H\n0.750000 0.886120 0.947749 H\n0.250000 0.837299 0.765611 H\n0.250000 0.337299 0.734389 H\n0.750000 0.162701 0.234389 H\n0.750000 0.662701 0.265611 H\n0.250000 0.727279 0.607532 Rh\n0.250000 0.227279 0.892468 Rh\n0.750000 0.272721 0.392468 Rh\n0.750000 0.772721 0.107532 Rh\n","nsites":40,"nelements":3,"elements":["Li","H","Rh"],"chemical_system":"H-Li-Rh","density":2.5125881292375314,"density_atomic":0.11659430918042786,"volume":343.0699172298421,"volume_molar":5.165038330199145,"formula_full":"Li12 H24 Rh4","formula_reduced":"Li3H6Rh","formula_anonymous":"AB3C6","energy":-154.15923721,"energy_per_atom":-3.8539809302499997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-149.86323721,"band_gap":2.4252,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.36e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:38:02.955000Z","spacegroup":62},{"id":"mp-1371062","created_at":"2022-09-04T14:47:17.909426Z","structure_string":"Li8 Mn2 Co4 O14\n1.0\n-5.131494 0.000000 0.000000\n2.454759 7.266192 0.000000\n-0.842903 -3.727141 -6.738650\nLi Mn Co O\n8 2 4 14\ndirect\n0.501274 0.929226 0.853301 Li\n0.493472 0.788500 0.564528 Li\n0.506528 0.211500 0.435472 Li\n0.498726 0.070774 0.146699 Li\n0.500000 0.500000 0.000000 Li\n0.507888 0.366371 0.703216 Li\n0.492112 0.633629 0.296784 Li\n0.000000 0.500000 0.500000 Li\n0.005801 0.784108 0.074604 Mn\n0.994199 0.215892 0.925396 Mn\n0.004516 0.646221 0.777782 Co\n0.995484 0.353779 0.222218 Co\n0.007747 0.086919 0.632780 Co\n0.992253 0.913081 0.367220 Co\n0.780433 0.934377 0.098607 O\n0.789526 0.787821 0.829823 O\n0.772867 0.209260 0.698322 O\n0.761742 0.075772 0.398491 O\n0.776387 0.511540 0.231760 O\n0.770339 0.350972 0.962826 O\n0.758264 0.660658 0.531739 O\n0.238258 0.924228 0.601509 O\n0.227133 0.790740 0.301678 O\n0.210474 0.212179 0.170177 O\n0.219567 0.065623 0.901393 O\n0.223613 0.488460 0.768239 O\n0.241736 0.339342 0.468261 O\n0.229661 0.649028 0.037174 O\n","nsites":28,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.1313765573724845,"density_atomic":0.1114382892768359,"volume":251.26013851883687,"volume_molar":5.404014005491192,"formula_full":"Li8 Mn2 Co4 O14","formula_reduced":"Li4MnCo2O7","formula_anonymous":"AB2C4D7","energy":-127.24395963,"energy_per_atom":-4.544427129642857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-107.73795963,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0121725,"is_theoretical":true,"updated_at":"2021-11-28T01:38:02.773000Z","spacegroup":2},{"id":"mp-1247358","created_at":"2022-09-04T14:47:17.918076Z","structure_string":"Li12 Zr4 N8\n1.0\n6.110417 0.000000 0.002900\n0.000000 10.885454 0.000000\n-2.933740 0.000000 5.372595\nLi Zr N\n12 4 8\ndirect\n0.229206 0.063638 0.046234 Li\n0.770794 0.563638 0.453766 Li\n0.770794 0.936362 0.953766 Li\n0.229206 0.436362 0.546234 Li\n0.319595 0.524710 0.042650 Li\n0.680405 0.024710 0.457350 Li\n0.680405 0.475290 0.957350 Li\n0.319595 0.975290 0.542650 Li\n0.027998 0.299084 0.766074 Li\n0.972002 0.799084 0.733926 Li\n0.972002 0.700916 0.233926 Li\n0.027998 0.200916 0.266074 Li\n0.515656 0.203769 0.765974 Zr\n0.484344 0.703769 0.734026 Zr\n0.484344 0.796231 0.234026 Zr\n0.515656 0.296231 0.265974 Zr\n0.612068 0.853639 0.604290 N\n0.387932 0.353639 0.895710 N\n0.387932 0.146361 0.395710 N\n0.612068 0.646361 0.104290 N\n0.488758 0.553013 0.548291 N\n0.511242 0.053013 0.951709 N\n0.511242 0.446987 0.451709 N\n0.488758 0.946987 0.048291 N\n","nsites":24,"nelements":3,"elements":["Li","Zr","N"],"chemical_system":"Li-N-Zr","density":2.6026179157820994,"density_atomic":0.06714245327910244,"volume":357.4489585632971,"volume_molar":8.969199762431595,"formula_full":"Li12 Zr4 N8","formula_reduced":"Li3ZrN2","formula_anonymous":"AB2C3","energy":-140.06422041000002,"energy_per_atom":-5.836009183750001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-137.17622041,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0019711,"is_theoretical":true,"updated_at":"2021-11-28T01:38:03.566000Z","spacegroup":14},{"id":"mp-1225463","created_at":"2022-09-04T14:47:17.919949Z","structure_string":"Dy2 As7 Rh12\n1.0\n4.987891 -8.639281 0.000000\n4.987891 8.639281 0.000000\n0.000000 0.000000 3.924718\nDy As Rh\n2 7 12\ndirect\n0.333333 0.666667 0.748873 Dy\n0.666667 0.333333 0.250668 Dy\n0.000000 0.000000 0.585721 As\n0.879578 0.592962 0.751936 As\n0.407038 0.286616 0.751936 As\n0.713384 0.120422 0.751936 As\n0.117041 0.405010 0.249726 As\n0.594990 0.712031 0.249726 As\n0.287969 0.882959 0.249726 As\n0.617665 0.551986 0.751224 Rh\n0.448014 0.065679 0.751224 Rh\n0.934321 0.382335 0.751224 Rh\n0.382126 0.448695 0.250797 Rh\n0.551305 0.933431 0.250797 Rh\n0.066569 0.617874 0.250797 Rh\n0.115574 0.846564 0.752021 Rh\n0.153436 0.269010 0.752021 Rh\n0.730990 0.884426 0.752021 Rh\n0.886528 0.145654 0.250635 Rh\n0.854346 0.740874 0.250635 Rh\n0.259126 0.113472 0.250635 Rh\n","nsites":21,"nelements":3,"elements":["Dy","As","Rh"],"chemical_system":"As-Dy-Rh","density":10.232456397310846,"density_atomic":0.06208494312169623,"volume":338.2462630083546,"volume_molar":9.699840987525201,"formula_full":"Dy2 As7 Rh12","formula_reduced":"Dy2As7Rh12","formula_anonymous":"A2B7C12","energy":-144.70125419,"energy_per_atom":-6.890535913809523,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.70125419,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0063984,"is_theoretical":true,"updated_at":"2021-11-28T01:38:02.110000Z","spacegroup":143}]}