{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density&page=3","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density","results":[{"id":"mp-1208477","created_at":"2022-09-04T14:43:54.777771Z","structure_string":"W1 N6\n1.0\n-4.697741 -8.136726 0.000000\n-7.203983 9.583706 0.000000\n0.000000 0.000000 -63.419834\nW N\n1 6\ndirect\n0.000000 0.000000 0.000000 W\n0.000000 0.000000 0.823001 N\n0.000000 0.000000 0.176999 N\n0.842345 0.809065 0.000000 N\n0.157655 0.190935 0.000000 N\n0.033281 0.190935 0.000000 N\n0.966719 0.809065 0.000000 N\n","nsites":7,"nelements":2,"elements":["W","N"],"chemical_system":"N-W","density":0.067677304807195,"density_atomic":0.0010650043533006112,"volume":6572.743086266201,"volume_molar":565.4569149258841,"formula_full":"W1 N6","formula_reduced":"WN6","formula_anonymous":"AB6","energy":-47.72183201,"energy_per_atom":-6.817404572857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.55583201,"band_gap":0.6147999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9825769,"is_theoretical":true,"updated_at":"2021-11-28T01:36:20.647000Z","spacegroup":65},{"id":"mp-994911","created_at":"2022-09-04T14:39:22.556147Z","structure_string":"S8\n1.0\n16.929711 0.000000 0.000000\n0.000000 16.929711 0.000000\n0.000000 0.000000 20.448418\nS\n8\ndirect\n0.359488 0.500000 0.416253 S\n0.400785 0.400785 0.463747 S\n0.400785 0.599215 0.463747 S\n0.500000 0.359488 0.416253 S\n0.500000 0.640512 0.416253 S\n0.599215 0.400785 0.463747 S\n0.599215 0.599215 0.463747 S\n0.640512 0.500000 0.416253 S\n","nsites":8,"nelements":1,"elements":["S"],"chemical_system":"S","density":0.07267943213881507,"density_atomic":0.0013649953870203248,"volume":5860.825667303798,"volume_molar":441.18396422905505,"formula_full":"S8","formula_reduced":"S","formula_anonymous":"A","energy":-33.00683176,"energy_per_atom":-4.12585397,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.00683176,"band_gap":3.3265,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":5.02e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.815000Z","spacegroup":99},{"id":"mp-1181265","created_at":"2022-09-04T14:41:19.239506Z","structure_string":"H16\n1.0\n6.061511 0.000000 0.000000\n0.000000 6.507494 0.000000\n0.000000 0.000000 9.083183\nH\n16\ndirect\n0.750000 0.114251 0.817708 H\n0.750000 0.385749 0.317708 H\n0.250000 0.885749 0.182292 H\n0.250000 0.614251 0.682292 H\n0.750000 0.204237 0.049089 H\n0.750000 0.295763 0.549089 H\n0.250000 0.795763 0.950911 H\n0.250000 0.704237 0.450911 H\n0.903664 0.205616 0.044758 H\n0.596336 0.294384 0.544758 H\n0.403664 0.794384 0.955242 H\n0.096336 0.705616 0.455242 H\n0.096336 0.794384 0.955242 H\n0.403664 0.705616 0.455242 H\n0.596336 0.205616 0.044758 H\n0.903664 0.294384 0.544758 H\n","nsites":16,"nelements":1,"elements":["H"],"chemical_system":"H","density":0.07474308556607644,"density_atomic":0.04465676352473224,"volume":358.28839210747384,"volume_molar":13.485394562158001,"formula_full":"H16","formula_reduced":"H","formula_anonymous":"A","energy":-35.19699029,"energy_per_atom":-2.199811893125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.19699029,"band_gap":1.5177999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:15.321000Z","spacegroup":62},{"id":"mp-1172894","created_at":"2022-09-04T14:46:27.249595Z","structure_string":"Ca2 Ga4\n1.0\n17.361917 0.000000 0.000000\n-8.680958 15.035861 -0.000000\n0.000000 -0.000000 29.921568\nCa Ga\n2 4\ndirect\n-0.000000 0.000000 0.250000 Ca\n-0.000000 0.000000 0.750000 Ca\n0.666667 0.333333 0.704356 Ga\n0.333333 0.666667 0.204356 Ga\n0.666667 0.333333 0.795644 Ga\n0.333333 0.666667 0.295644 Ga\n","nsites":6,"nelements":2,"elements":["Ca","Ga"],"chemical_system":"Ca-Ga","density":0.07632930061378769,"density_atomic":0.0007681409603742695,"volume":7811.066340058934,"volume_molar":783.9890164255487,"formula_full":"Ca2 Ga4","formula_reduced":"CaGa2","formula_anonymous":"AB2","energy":-4.82832814,"energy_per_atom":-0.8047213566666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.82832814,"band_gap":0.1720999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.0008309,"is_theoretical":true,"updated_at":"2021-11-28T01:37:36.169000Z","spacegroup":194},{"id":"mp-1071565","created_at":"2022-09-04T14:43:01.980619Z","structure_string":"Ca2 C4\n1.0\n6.778993 9.339547 0.000000\n-6.778993 9.339547 0.000000\n0.000000 9.005348 18.990895\nCa C\n2 4\ndirect\n0.446257 0.446257 0.245079 Ca\n0.553743 0.553743 0.754921 Ca\n0.985174 0.985174 0.478085 C\n0.014826 0.014826 0.521915 C\n0.577070 0.577070 0.211095 C\n0.422930 0.422930 0.788905 C\n","nsites":6,"nelements":2,"elements":["Ca","C"],"chemical_system":"C-Ca","density":0.08852514194436198,"density_atomic":0.002495082009061674,"volume":2404.730577275262,"volume_molar":241.36043377046144,"formula_full":"Ca2 C4","formula_reduced":"CaC2","formula_anonymous":"AB2","energy":-19.12794662,"energy_per_atom":-3.1879911033333332,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.12794662,"band_gap":0.6480000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":6.0026537,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.194000Z","spacegroup":12},{"id":"mp-1096674","created_at":"2022-09-04T14:39:23.055448Z","structure_string":"Li2 Ca1 Mg1\n1.0\n-6.310738 6.509236 8.917315\n6.310738 -6.509236 8.917315\n6.310738 6.509236 -8.917315\nLi Ca Mg\n2 1 1\ndirect\n0.765712 0.000000 0.765712 Li\n0.234288 0.000000 0.234288 Li\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n","nsites":4,"nelements":3,"elements":["Li","Ca","Mg"],"chemical_system":"Ca-Li-Mg","density":0.08869771252711899,"density_atomic":0.0027299564817628145,"volume":1465.2248219785101,"volume_molar":220.59475307501324,"formula_full":"Li2 Ca1 Mg1","formula_reduced":"Li2CaMg","formula_anonymous":"ABC2","energy":-2.70540902,"energy_per_atom":-0.676352255,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.70540902,"band_gap":0.6532000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.967000Z","spacegroup":71},{"id":"mp-1212550","created_at":"2022-09-04T14:44:18.437818Z","structure_string":"Sc3 Sb2\n1.0\n12.840597 0.000000 0.000000\n0.000000 12.840597 -0.000000\n0.000000 -0.000000 41.961660\nSc Sb\n3 2\ndirect\n0.500000 0.500000 -0.000000 Sc\n0.500000 0.500000 0.657530 Sc\n0.500000 0.500000 0.342470 Sc\n0.500000 0.500000 0.282933 Sb\n0.500000 0.500000 0.717067 Sb\n","nsites":5,"nelements":2,"elements":["Sc","Sb"],"chemical_system":"Sb-Sc","density":0.09081614378619295,"density_atomic":0.0007226814578232693,"volume":6918.677580382508,"volume_molar":833.3050052423935,"formula_full":"Sc3 Sb2","formula_reduced":"Sc3Sb2","formula_anonymous":"A2B3","energy":-15.079598270000002,"energy_per_atom":-3.015919654,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.695598269999998,"band_gap":0.125,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.9793064,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.774000Z","spacegroup":123},{"id":"mp-1180180","created_at":"2022-09-04T14:44:15.597387Z","structure_string":"Rb2 Cu4 I6\n1.0\n20.957172 -0.000000 0.000000\n-0.000000 30.582269 -6.883468\n-0.000000 -0.001255 31.347366\nRb Cu I\n2 4 6\ndirect\n0.750000 0.183195 0.816805 Rb\n0.250000 0.816805 0.183195 Rb\n0.500000 0.839994 0.839994 Cu\n-0.000000 0.160006 0.160006 Cu\n0.000000 0.839994 0.839994 Cu\n0.500000 0.160006 0.160006 Cu\n0.750000 0.164396 0.413003 I\n0.250000 0.884296 0.115704 I\n0.250000 0.835604 0.586997 I\n0.750000 0.586997 0.835604 I\n0.250000 0.413003 0.164396 I\n0.750000 0.115704 0.884296 I\n","nsites":12,"nelements":3,"elements":["Rb","Cu","I"],"chemical_system":"Cu-I-Rb","density":0.09806957832472514,"density_atomic":0.0005972851581982957,"volume":20090.906052643048,"volume_molar":1008.25220204127,"formula_full":"Rb2 Cu4 I6","formula_reduced":"RbCu2I3","formula_anonymous":"AB2C3","energy":-14.16235398,"energy_per_atom":-1.1801961650000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.88835398,"band_gap":0.8325000000000005,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":6.947776,"is_theoretical":true,"updated_at":"2021-11-28T01:36:27.966000Z","spacegroup":63},{"id":"mp-1096622","created_at":"2022-09-04T14:44:12.393091Z","structure_string":"Li2 Ca1 Al1\n1.0\n-6.164625 6.212389 8.760967\n6.164625 -6.212389 8.760967\n6.164625 6.212389 -8.760967\nLi Ca Al\n2 1 1\ndirect\n0.223687 0.000000 0.223687 Li\n0.776313 0.000000 0.776313 Li\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Al\n","nsites":4,"nelements":3,"elements":["Li","Ca","Al"],"chemical_system":"Al-Ca-Li","density":0.10014821475888698,"density_atomic":0.0029804555573355387,"volume":1342.0767137946896,"volume_molar":202.05437202974636,"formula_full":"Li2 Ca1 Al1","formula_reduced":"Li2CaAl","formula_anonymous":"ABC2","energy":-3.92750143,"energy_per_atom":-0.9818753575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.92750143,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9997881,"is_theoretical":true,"updated_at":"2021-11-28T01:36:34.381000Z","spacegroup":71},{"id":"mp-1096543","created_at":"2022-09-04T14:44:23.752582Z","structure_string":"K2 Rb1 Na1\n1.0\n-8.028958 8.471415 11.361430\n8.028958 -8.471415 11.361430\n8.028958 8.471415 -11.361430\nK Rb Na\n2 1 1\ndirect\n0.222398 0.000000 0.222398 K\n0.777602 0.000000 0.777602 K\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Na\n","nsites":4,"nelements":3,"elements":["K","Rb","Na"],"chemical_system":"K-Na-Rb","density":0.10027176523891451,"density_atomic":0.0012940523901724572,"volume":3091.0649602578483,"volume_molar":465.3707072244143,"formula_full":"K2 Rb1 Na1","formula_reduced":"K2RbNa","formula_anonymous":"ABC2","energy":-2.43078555,"energy_per_atom":-0.6076963875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.43078555,"band_gap":0.0431000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011623,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.812000Z","spacegroup":71},{"id":"mp-1247813","created_at":"2022-09-04T14:42:00.611467Z","structure_string":"Al1 Ag7 Se5\n1.0\n25.227086 0.255571 15.109131\n8.443308 24.068319 15.442602\n-0.785383 -0.126280 31.554843\nAl Ag Se\n1 7 5\ndirect\n0.499989 0.499909 0.500073 Al\n0.103937 0.276055 0.809935 Ag\n0.430122 0.518457 0.025734 Ag\n0.522239 0.025724 0.426349 Ag\n0.518512 0.430171 0.025687 Ag\n0.342068 0.946990 0.947052 Ag\n0.810012 0.809944 0.276003 Ag\n0.947125 0.947048 0.763749 Ag\n0.133402 0.622143 0.622235 Se\n0.622178 0.133496 0.622150 Se\n0.622263 0.622181 0.133301 Se\n0.622209 0.622226 0.622188 Se\n0.982345 0.982257 0.982345 Se\n","nsites":13,"nelements":3,"elements":["Al","Ag","Se"],"chemical_system":"Ag-Al-Se","density":0.10069788002532618,"density_atomic":0.0006698694503524695,"volume":19406.766487350193,"volume_molar":899.0021498713355,"formula_full":"Al1 Ag7 Se5","formula_reduced":"AlAg7Se5","formula_anonymous":"AB5C7","energy":-11.77803356,"energy_per_atom":-0.9060025815384616,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.41803356,"band_gap":0.0257999999999993,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":13.3652042,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.526000Z","spacegroup":1},{"id":"mp-1097400","created_at":"2022-09-04T14:43:08.300824Z","structure_string":"K1 Na2 P1\n1.0\n-6.601731 7.042113 10.182461\n6.601731 -7.042113 10.182461\n6.601731 7.042113 -10.182461\nK Na P\n1 2 1\ndirect\n0.000000 0.500000 0.500000 K\n0.000000 0.202105 0.202105 Na\n0.000000 0.797895 0.797895 Na\n0.000000 0.000000 0.000000 P\n","nsites":4,"nelements":3,"elements":["K","Na","P"],"chemical_system":"K-Na-P","density":0.10177161620708061,"density_atomic":0.002112449963382172,"volume":1893.5359745022013,"volume_molar":285.0785043144007,"formula_full":"K1 Na2 P1","formula_reduced":"KNa2P","formula_anonymous":"ABC2","energy":-5.52885251,"energy_per_atom":-1.3822131275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.52885251,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0490295,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.384000Z","spacegroup":71}]}