{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=74","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=72","results":[{"id":"mp-1045602","created_at":"2022-09-04T14:42:48.764216Z","structure_string":"Y1 Cu3 Sb4 O12\n1.0\n-3.963250 3.963250 3.963250\n3.963250 -3.963250 3.963250\n3.963250 3.963250 -3.963250\nY Cu Sb O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.293610 0.832468 0.126078 O\n0.706390 0.167532 0.873922 O\n0.706390 0.832468 0.538858 O\n0.873922 0.706390 0.167532 O\n0.832468 0.126078 0.293610 O\n0.167532 0.461142 0.293610 O\n0.461142 0.293610 0.167532 O\n0.167532 0.873922 0.706390 O\n0.293610 0.167532 0.461142 O\n0.126078 0.293610 0.832468 O\n0.832468 0.538858 0.706390 O\n0.538858 0.706390 0.832468 O\n","nsites":20,"nelements":4,"elements":["Y","Cu","Sb","O"],"chemical_system":"Cu-O-Sb-Y","density":6.392364736326819,"density_atomic":0.08031850190534828,"volume":249.0086284673125,"volume_molar":7.497825055423495,"formula_full":"Y1 Cu3 Sb4 O12","formula_reduced":"YCu3(SbO3)4","formula_anonymous":"AB3C4D12","energy":-128.61741175,"energy_per_atom":-6.4308705875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-120.37341175,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005769,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.172000Z","spacegroup":204},{"id":"mp-561619","created_at":"2022-09-04T14:42:48.778261Z","structure_string":"Cs1 Lu1 S2\n1.0\n8.102169 -2.014467 0.000000\n8.102169 2.014467 0.000000\n7.601306 0.000000 3.453023\nCs Lu S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Lu\n0.773590 0.773590 0.773590 S\n0.226410 0.226410 0.226410 S\n","nsites":4,"nelements":3,"elements":["Cs","Lu","S"],"chemical_system":"Cs-Lu-S","density":5.480295518496842,"density_atomic":0.03548698226221594,"volume":112.71738944843786,"volume_molar":16.969999633955787,"formula_full":"Cs1 Lu1 S2","formula_reduced":"CsLuS2","formula_anonymous":"ABC2","energy":-21.8967452,"energy_per_atom":-5.4741863,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.8907452,"band_gap":2.1698,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0034903,"is_theoretical":false,"updated_at":"2021-11-28T01:35:52.867000Z","spacegroup":166},{"id":"mp-1213479","created_at":"2022-09-04T14:42:48.783463Z","structure_string":"Dy4 Cu2 W8 O32\n1.0\n2.844423 9.686445 0.000000\n-2.844423 9.686445 0.000000\n0.000000 3.983162 10.616499\nDy Cu W O\n4 2 8 32\ndirect\n0.483434 0.815160 0.044890 Dy\n0.516566 0.184840 0.955110 Dy\n0.184840 0.516566 0.455110 Dy\n0.815160 0.483434 0.544890 Dy\n0.662339 0.337661 0.250000 Cu\n0.337661 0.662339 0.750000 Cu\n0.690891 0.935294 0.284857 W\n0.309109 0.064706 0.715143 W\n0.064706 0.309109 0.215143 W\n0.935294 0.690891 0.784857 W\n0.756034 0.132525 0.590534 W\n0.243966 0.867475 0.409466 W\n0.867475 0.243966 0.909466 W\n0.132525 0.756034 0.090534 W\n0.412465 0.082840 0.264584 O\n0.587535 0.917160 0.735416 O\n0.917160 0.587535 0.235416 O\n0.082840 0.412465 0.764584 O\n0.537434 0.211866 0.321466 O\n0.462566 0.788134 0.678534 O\n0.788134 0.462566 0.178534 O\n0.211866 0.537434 0.821466 O\n0.778486 0.958550 0.101500 O\n0.221514 0.041450 0.898500 O\n0.041450 0.221514 0.398500 O\n0.958550 0.778486 0.601500 O\n0.242865 0.973340 0.229124 O\n0.757135 0.026660 0.770876 O\n0.026660 0.757135 0.270876 O\n0.973340 0.242865 0.729124 O\n0.874978 0.104871 0.410664 O\n0.125022 0.895129 0.589336 O\n0.895129 0.125022 0.089336 O\n0.104871 0.874978 0.910664 O\n0.393791 0.634259 0.119630 O\n0.606209 0.365741 0.880370 O\n0.365741 0.606209 0.380370 O\n0.634259 0.393791 0.619630 O\n0.521173 0.717888 0.426156 O\n0.478827 0.282112 0.573844 O\n0.282112 0.478827 0.073844 O\n0.717888 0.521173 0.926156 O\n0.253689 0.211603 0.054940 O\n0.746311 0.788397 0.945060 O\n0.788397 0.746311 0.445060 O\n0.211603 0.253689 0.554940 O\n","nsites":46,"nelements":4,"elements":["Dy","Cu","W","O"],"chemical_system":"Cu-Dy-O-W","density":7.833496565461335,"density_atomic":0.07862993457039277,"volume":585.0189276047139,"volume_molar":7.658839846303993,"formula_full":"Dy4 Cu2 W8 O32","formula_reduced":"Dy2Cu(WO4)4","formula_anonymous":"AB2C4D16","energy":-402.88961620999993,"energy_per_atom":-8.758469917608695,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-345.40161621,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999738,"is_theoretical":true,"updated_at":"2021-11-28T01:35:54.024000Z","spacegroup":15},{"id":"mp-17715","created_at":"2022-09-04T14:42:48.900605Z","structure_string":"Sr4 Ta8 O24\n1.0\n5.676420 0.000000 0.000000\n0.000000 7.711480 0.000000\n0.000000 0.000000 11.173688\nSr Ta O\n4 8 24\ndirect\n0.961746 0.750000 0.460027 Sr\n0.461746 0.250000 0.039973 Sr\n0.038254 0.250000 0.539973 Sr\n0.538254 0.750000 0.960027 Sr\n0.465304 0.495706 0.357852 Ta\n0.965304 0.504294 0.142148 Ta\n0.534696 0.995706 0.642148 Ta\n0.034696 0.004294 0.857852 Ta\n0.534696 0.504294 0.642148 Ta\n0.034696 0.495706 0.857852 Ta\n0.465304 0.004294 0.357852 Ta\n0.965304 0.995706 0.142148 Ta\n0.136559 0.250000 0.870352 O\n0.636559 0.750000 0.629648 O\n0.863441 0.750000 0.129648 O\n0.363441 0.250000 0.370352 O\n0.970439 0.750000 0.854535 O\n0.470439 0.250000 0.645465 O\n0.029561 0.250000 0.145465 O\n0.529561 0.750000 0.354535 O\n0.281085 0.966694 0.523781 O\n0.781085 0.033306 0.976219 O\n0.718915 0.466694 0.476219 O\n0.218915 0.533306 0.023781 O\n0.643183 0.451950 0.214641 O\n0.143183 0.548050 0.285359 O\n0.356817 0.951950 0.785359 O\n0.856817 0.048050 0.714641 O\n0.356817 0.548050 0.785359 O\n0.856817 0.451950 0.714641 O\n0.643183 0.048050 0.214641 O\n0.143183 0.951950 0.285359 O\n0.781085 0.466694 0.976219 O\n0.281085 0.533306 0.523781 O\n0.218915 0.966694 0.023781 O\n0.718915 0.033306 0.476219 O\n","nsites":36,"nelements":3,"elements":["Sr","Ta","O"],"chemical_system":"O-Sr-Ta","density":7.408064006714166,"density_atomic":0.07360269256077709,"volume":489.11254123309635,"volume_molar":8.181957141075028,"formula_full":"Sr4 Ta8 O24","formula_reduced":"SrTa2O6","formula_anonymous":"AB2C6","energy":-346.00933532,"energy_per_atom":-9.611370425555556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-329.52133532,"band_gap":3.2307,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0026047,"is_theoretical":false,"updated_at":"2021-11-28T01:35:49.402000Z","spacegroup":62},{"id":"mp-1193728","created_at":"2022-09-04T14:42:48.985341Z","structure_string":"Mn12 O16\n1.0\n-3.172600 0.000000 0.000000\n0.000000 0.000000 -12.149244\n0.000000 -10.479417 0.000000\nMn O\n12 16\ndirect\n0.242699 0.250000 0.525918 Mn\n0.757301 0.750000 0.474082 Mn\n0.242699 0.750000 0.974082 Mn\n0.757301 0.250000 0.025918 Mn\n0.741085 0.455792 0.622681 Mn\n0.258915 0.955792 0.377319 Mn\n0.741085 0.544208 0.877319 Mn\n0.258915 0.044208 0.122681 Mn\n0.258915 0.544208 0.377319 Mn\n0.741085 0.044208 0.622681 Mn\n0.258915 0.455792 0.122681 Mn\n0.741085 0.955792 0.877319 Mn\n0.236795 0.500000 0.750000 O\n0.763205 0.000000 0.250000 O\n0.763205 0.500000 0.250000 O\n0.236795 0.000000 0.750000 O\n0.742432 0.250000 0.621865 O\n0.257568 0.750000 0.378135 O\n0.742432 0.750000 0.878135 O\n0.257568 0.250000 0.121865 O\n0.244165 0.405187 0.505748 O\n0.755835 0.905187 0.494252 O\n0.244165 0.594813 0.994252 O\n0.755835 0.094813 0.005748 O\n0.755835 0.594813 0.494252 O\n0.244165 0.094813 0.505748 O\n0.755835 0.405187 0.005748 O\n0.244165 0.905187 0.994252 O\n","nsites":28,"nelements":2,"elements":["Mn","O"],"chemical_system":"Mn-O","density":3.7625795135405258,"density_atomic":0.0693196457836598,"volume":403.9258955157591,"volume_molar":8.687494997874836,"formula_full":"Mn12 O16","formula_reduced":"Mn3O4","formula_anonymous":"A3B4","energy":-240.39172877,"energy_per_atom":-8.585418884642857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-209.38372877,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":51.9996388,"is_theoretical":false,"updated_at":"2021-11-28T01:36:08.472000Z","spacegroup":57},{"id":"mp-1246193","created_at":"2022-09-04T14:42:49.050112Z","structure_string":"Na6 Re2 N6\n1.0\n7.666389 0.004613 0.000000\n-3.829184 6.639522 0.000000\n0.000000 0.000000 4.971406\nNa Re N\n6 2 6\ndirect\n0.830894 0.659303 0.250000 Na\n0.828576 0.168733 0.250000 Na\n0.341130 0.171873 0.250000 Na\n0.169106 0.340697 0.750000 Na\n0.171424 0.831267 0.750000 Na\n0.658870 0.828127 0.750000 Na\n0.667049 0.333373 0.750000 Re\n0.332951 0.666627 0.250000 Re\n0.804015 0.605647 0.750000 N\n0.801603 0.195812 0.750000 N\n0.394459 0.198540 0.750000 N\n0.195985 0.394353 0.250000 N\n0.198397 0.804188 0.250000 N\n0.605541 0.801460 0.250000 N\n","nsites":14,"nelements":3,"elements":["Na","Re","N"],"chemical_system":"N-Na-Re","density":3.8991062093103808,"density_atomic":0.05530577111143645,"volume":253.13813945006183,"volume_molar":10.88881076780558,"formula_full":"Na6 Re2 N6","formula_reduced":"Na3ReN3","formula_anonymous":"AB3C3","energy":-85.86801333,"energy_per_atom":-6.1334295235714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.70201333,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.1977104,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.582000Z","spacegroup":194},{"id":"mp-8306","created_at":"2022-09-04T14:42:52.023471Z","structure_string":"Ba6 Fe2 N6\n1.0\n4.088025 -7.080667 0.000000\n4.088025 7.080667 0.000000\n0.000000 0.000000 5.628741\nBa Fe N\n6 2 6\ndirect\n0.718777 0.636393 0.750000 Ba\n0.082384 0.718777 0.250000 Ba\n0.636393 0.917616 0.250000 Ba\n0.363607 0.082384 0.750000 Ba\n0.917616 0.281223 0.750000 Ba\n0.281223 0.363607 0.250000 Ba\n0.666667 0.333333 0.250000 Fe\n0.333333 0.666667 0.750000 Fe\n0.553442 0.870489 0.750000 N\n0.682954 0.553442 0.250000 N\n0.870489 0.317046 0.250000 N\n0.129511 0.682954 0.750000 N\n0.317046 0.446558 0.750000 N\n0.446558 0.129511 0.250000 N\n","nsites":14,"nelements":3,"elements":["Ba","Fe","N"],"chemical_system":"Ba-Fe-N","density":5.196240221221667,"density_atomic":0.04296344138368246,"volume":325.858440318452,"volume_molar":14.016895681655551,"formula_full":"Ba6 Fe2 N6","formula_reduced":"Ba3FeN3","formula_anonymous":"AB3C3","energy":-88.44670519,"energy_per_atom":-6.317621799285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.28070519,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0044707,"is_theoretical":false,"updated_at":"2021-11-28T01:36:00.512000Z","spacegroup":176},{"id":"mp-1103729","created_at":"2022-09-04T14:42:52.144390Z","structure_string":"Na1 Ge6 As6\n1.0\n1.944259 11.302293 0.000000\n-1.944259 11.302293 0.000000\n0.000000 0.363897 7.333659\nNa Ge As\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.053733 0.053733 0.531621 Ge\n0.946267 0.946267 0.468379 Ge\n0.319322 0.319322 0.670234 Ge\n0.680678 0.680678 0.329766 Ge\n0.320100 0.320100 0.324210 Ge\n0.679900 0.679900 0.675790 Ge\n0.117774 0.117774 0.237646 As\n0.882226 0.882226 0.762354 As\n0.220672 0.220672 0.845880 As\n0.779328 0.779328 0.154119 As\n0.571271 0.571271 0.741641 As\n0.428729 0.428729 0.258359 As\n","nsites":13,"nelements":3,"elements":["Na","Ge","As"],"chemical_system":"As-Ge-Na","density":4.679887464322689,"density_atomic":0.040334062286543806,"volume":322.30822443929833,"volume_molar":14.930657659070206,"formula_full":"Na1 Ge6 As6","formula_reduced":"Na(GeAs)6","formula_anonymous":"AB6C6","energy":-57.66973397000001,"energy_per_atom":-4.436133382307693,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-57.66973397000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029658,"is_theoretical":false,"updated_at":"2021-11-28T01:35:54.733000Z","spacegroup":12},{"id":"mp-1386972","created_at":"2022-09-04T14:42:52.160996Z","structure_string":"Ca1 V4 O8\n1.0\n5.903092 -2.963059 0.000000\n5.903092 2.963059 0.000000\n4.415783 0.000000 4.911932\nCa V O\n1 4 8\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.277917 0.766108 0.766108 O\n0.233892 0.233892 0.722083 O\n0.722083 0.233892 0.233892 O\n0.233892 0.722083 0.233892 O\n0.273765 0.273765 0.273765 O\n0.726235 0.726235 0.726235 O\n0.766108 0.277917 0.766108 O\n0.766108 0.766108 0.277917 O\n","nsites":13,"nelements":3,"elements":["Ca","V","O"],"chemical_system":"Ca-O-V","density":3.5933711525591194,"density_atomic":0.07565561392786589,"volume":171.8312670411332,"volume_molar":7.959939054545022,"formula_full":"Ca1 V4 O8","formula_reduced":"CaV4O8","formula_anonymous":"AB4C8","energy":-111.75858831,"energy_per_atom":-8.596814485384614,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-99.46258831,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0884883,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.488000Z","spacegroup":166},{"id":"mp-981233","created_at":"2022-09-04T14:42:52.168463Z","structure_string":"U1 Cr3\n1.0\n0.000000 3.050732 3.050732\n3.050732 0.000000 3.050732\n3.050732 3.050732 0.000000\nU Cr\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.750000 0.750000 0.750000 Cr\n0.250000 0.250000 0.250000 Cr\n0.500000 0.500000 0.500000 Cr\n","nsites":4,"nelements":2,"elements":["U","Cr"],"chemical_system":"Cr-U","density":11.521847447113887,"density_atomic":0.07043975278718903,"volume":56.78611638636365,"volume_molar":8.549349652310612,"formula_full":"U1 Cr3","formula_reduced":"UCr3","formula_anonymous":"AB3","energy":-38.76992804,"energy_per_atom":-9.69248201,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.76992804,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9462219,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.509000Z","spacegroup":225},{"id":"mp-1078984","created_at":"2022-09-04T14:42:48.794484Z","structure_string":"Ce2 Fe2 S2 O3\n1.0\n-2.024033 2.024033 8.944809\n2.024033 -2.024033 8.944809\n2.024033 2.024033 -8.944809\nCe Fe S O\n2 2 2 3\ndirect\n0.317450 0.317450 0.000000 Ce\n0.682550 0.682550 0.000000 Ce\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.902858 0.902858 0.000000 S\n0.097142 0.097142 0.000000 S\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n0.500000 0.500000 0.000000 O\n","nsites":9,"nelements":4,"elements":["Ce","Fe","S","O"],"chemical_system":"Ce-Fe-O-S","density":5.7102700594884785,"density_atomic":0.06140111655339741,"volume":146.57713906836142,"volume_molar":9.80786848519742,"formula_full":"Ce2 Fe2 S2 O3","formula_reduced":"Ce2Fe2S2O3","formula_anonymous":"A2B2C2D3","energy":-72.73367255999999,"energy_per_atom":-8.081519173333332,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.15467256,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.7623384,"is_theoretical":false,"updated_at":"2021-11-28T01:36:12.557000Z","spacegroup":139},{"id":"mp-1205800","created_at":"2022-09-04T14:42:48.801186Z","structure_string":"Y2 Ge6 Pd1\n1.0\n0.000000 4.062700 0.000000\n4.109209 0.000000 0.000000\n0.000000 -2.031350 -11.010517\nY Ge Pd\n2 6 1\ndirect\n0.777964 0.500000 0.555927 Y\n0.117572 0.500000 0.235143 Y\n0.493680 0.500000 0.987360 Ge\n0.380166 0.500000 0.760332 Ge\n0.992509 0.000000 0.985019 Ge\n0.878539 0.000000 0.757077 Ge\n0.668780 0.000000 0.337560 Ge\n0.239310 0.000000 0.478620 Ge\n0.558480 0.000000 0.116961 Pd\n","nsites":9,"nelements":3,"elements":["Y","Ge","Pd"],"chemical_system":"Ge-Pd-Y","density":6.50495271055776,"density_atomic":0.04896230026300711,"volume":183.81489332926304,"volume_molar":12.299546237924524,"formula_full":"Y2 Ge6 Pd1","formula_reduced":"Y2Ge6Pd","formula_anonymous":"AB2C6","energy":-50.476602,"energy_per_atom":-5.608511333333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.476602,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0039069,"is_theoretical":true,"updated_at":"2021-11-28T01:35:48.580000Z","spacegroup":38}]}