{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=10270","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=10268","results":[{"id":"mp-1220970","created_at":"2022-09-04T14:39:05.292214Z","structure_string":"Na2 Ni2 P4 H2 O14\n1.0\n-6.531999 0.000000 0.000000\n-0.171958 -6.541382 0.000000\n2.524749 0.608308 6.112671\nNa Ni P H O\n2 2 4 2 14\ndirect\n0.230745 0.117619 0.244506 Na\n0.769255 0.882381 0.755494 Na\n0.712377 0.358854 0.110121 Ni\n0.287623 0.641146 0.889879 Ni\n0.167773 0.619151 0.363842 P\n0.832227 0.380849 0.636158 P\n0.744006 0.856702 0.216076 P\n0.255994 0.143298 0.783924 P\n0.452600 0.801521 0.307940 H\n0.547400 0.198479 0.692060 H\n0.636135 0.669714 0.050138 O\n0.363865 0.330286 0.949862 O\n0.986469 0.792912 0.374367 O\n0.013531 0.207088 0.625633 O\n0.278472 0.708288 0.218832 O\n0.721528 0.291712 0.781168 O\n0.043643 0.420855 0.247611 O\n0.956357 0.579145 0.752389 O\n0.616621 0.906741 0.369503 O\n0.383379 0.093259 0.630497 O\n0.775566 0.039533 0.105654 O\n0.224434 0.960467 0.894346 O\n0.327979 0.614961 0.597220 O\n0.672021 0.385039 0.402780 O\n","nsites":24,"nelements":5,"elements":["Na","Ni","P","H","O"],"chemical_system":"H-Na-Ni-O-P","density":3.263227684326055,"density_atomic":0.09188922719013645,"volume":261.18404446191926,"volume_molar":6.553696166732401,"formula_full":"Na2 Ni2 P4 H2 O14","formula_reduced":"NaNiP2HO7","formula_anonymous":"ABCD2E7","energy":-166.98314119999998,"energy_per_atom":-6.957630883333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-152.2831412,"band_gap":4.5878,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0003374,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.168000Z","spacegroup":2},{"id":"mp-1245732","created_at":"2022-09-04T14:39:05.312015Z","structure_string":"Li6 Ir3 N6\n1.0\n5.956784 0.767210 0.148444\n9.463176 5.643386 0.000000\n0.185887 -0.311707 5.656306\nLi Ir N\n6 3 6\ndirect\n0.722335 0.959450 0.836656 Li\n0.722335 0.318215 0.836656 Li\n0.277665 0.040550 0.163344 Li\n0.277665 0.681785 0.163344 Li\n0.214180 0.892910 0.682964 Li\n0.785820 0.107090 0.317036 Li\n0.000000 0.500000 0.000000 Ir\n0.000000 0.350168 0.500000 Ir\n0.000000 0.649832 0.500000 Ir\n0.596860 0.838579 0.827237 N\n0.596860 0.564561 0.827237 N\n0.403140 0.161421 0.172763 N\n0.403140 0.435439 0.172763 N\n0.594979 0.702510 0.347606 N\n0.405021 0.297490 0.652394 N\n","nsites":15,"nelements":3,"elements":["Li","Ir","N"],"chemical_system":"Ir-Li-N","density":7.854381212297635,"density_atomic":0.10102025620920065,"volume":148.4850718348687,"volume_molar":5.96132002232194,"formula_full":"Li6 Ir3 N6","formula_reduced":"Li2IrN2","formula_anonymous":"AB2C2","energy":-88.5886937,"energy_per_atom":-5.905912913333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.4226937,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0102522,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.952000Z","spacegroup":12},{"id":"mp-5944","created_at":"2022-09-04T14:39:05.372480Z","structure_string":"Mn1 Sb1 Au1\n1.0\n0.000000 3.230127 3.230127\n3.230127 0.000000 3.230127\n3.230127 3.230127 0.000000\nMn Sb Au\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sb\n0.250000 0.250000 0.250000 Au\n","nsites":3,"nelements":3,"elements":["Mn","Sb","Au"],"chemical_system":"Au-Mn-Sb","density":9.205391850104395,"density_atomic":0.044507424637840895,"volume":67.40448418238412,"volume_molar":13.53064305338369,"formula_full":"Mn1 Sb1 Au1","formula_reduced":"MnSbAu","formula_anonymous":"ABC","energy":-16.60439964,"energy_per_atom":-5.5347998800000004,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.41239964,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.7036619,"is_theoretical":false,"updated_at":"2021-11-28T01:34:39.179000Z","spacegroup":216},{"id":"mp-568156","created_at":"2022-09-04T14:39:05.185810Z","structure_string":"Y16 Cd4 Ru4\n1.0\n0.000000 6.834333 6.834333\n6.834333 0.000000 6.834333\n6.834333 6.834333 0.000000\nY Cd Ru\n16 4 4\ndirect\n0.438953 0.438953 0.061047 Y\n0.061047 0.061047 0.438953 Y\n0.438953 0.061047 0.061047 Y\n0.847114 0.847114 0.847114 Y\n0.689452 0.310548 0.310548 Y\n0.061047 0.438953 0.438953 Y\n0.310548 0.689452 0.689452 Y\n0.310548 0.310548 0.689452 Y\n0.847114 0.847114 0.458658 Y\n0.689452 0.689452 0.310548 Y\n0.458658 0.847114 0.847114 Y\n0.061047 0.438953 0.061047 Y\n0.847114 0.458658 0.847114 Y\n0.438953 0.061047 0.438953 Y\n0.310548 0.689452 0.310548 Y\n0.689452 0.310548 0.689452 Y\n0.079988 0.760036 0.079988 Cd\n0.079988 0.079988 0.760036 Cd\n0.760036 0.079988 0.079988 Cd\n0.079988 0.079988 0.079988 Cd\n0.639681 0.080956 0.639681 Ru\n0.639681 0.639681 0.639681 Ru\n0.639681 0.639681 0.080956 Ru\n0.080956 0.639681 0.639681 Ru\n","nsites":24,"nelements":3,"elements":["Y","Cd","Ru"],"chemical_system":"Cd-Ru-Y","density":5.920830509566692,"density_atomic":0.03759177552347351,"volume":638.4375216598544,"volume_molar":16.0198359245883,"formula_full":"Y16 Cd4 Ru4","formula_reduced":"Y4CdRu","formula_anonymous":"ABC4","energy":-152.06289846,"energy_per_atom":-6.335954102500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-152.06289846,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3747224,"is_theoretical":false,"updated_at":"2021-11-28T01:34:28.855000Z","spacegroup":216},{"id":"mp-1195907","created_at":"2022-09-04T14:39:05.186546Z","structure_string":"Nd16 Ga4 Sb4 S36\n1.0\n7.144419 -7.254027 0.000000\n7.144419 7.254027 0.000000\n0.000000 0.000000 13.856138\nNd Ga Sb S\n16 4 4 36\ndirect\n0.090943 0.126886 0.185022 Nd\n0.873114 0.909057 0.814978 Nd\n0.590943 0.626886 0.314978 Nd\n0.373114 0.409057 0.685022 Nd\n0.322584 0.333705 0.398836 Nd\n0.666295 0.677416 0.601164 Nd\n0.822584 0.833705 0.101164 Nd\n0.166295 0.177416 0.898836 Nd\n0.044093 0.624448 0.320293 Nd\n0.375552 0.955907 0.679707 Nd\n0.544093 0.124448 0.179707 Nd\n0.875552 0.455907 0.820293 Nd\n0.324930 0.450640 0.104046 Nd\n0.549360 0.675070 0.895954 Nd\n0.824930 0.950640 0.395954 Nd\n0.049360 0.175070 0.604046 Nd\n0.825105 0.383298 0.092937 Ga\n0.616702 0.174895 0.907063 Ga\n0.325105 0.883298 0.407063 Ga\n0.116702 0.674895 0.592937 Ga\n0.830942 0.324265 0.387080 Sb\n0.675735 0.169058 0.612920 Sb\n0.330942 0.824265 0.112920 Sb\n0.175735 0.669058 0.887080 Sb\n0.012847 0.165362 0.399811 S\n0.834638 0.987153 0.600189 S\n0.512847 0.665362 0.100189 S\n0.334638 0.487153 0.899811 S\n0.147338 0.667751 0.079298 S\n0.332249 0.852662 0.920702 S\n0.647338 0.167751 0.420702 S\n0.832249 0.352662 0.579298 S\n0.818324 0.207623 0.200213 S\n0.792377 0.181676 0.799787 S\n0.318324 0.707623 0.299787 S\n0.292377 0.681676 0.700213 S\n0.821638 0.570086 0.189932 S\n0.429914 0.178362 0.810068 S\n0.321638 0.070086 0.310068 S\n0.929914 0.678362 0.689932 S\n0.132625 0.867375 0.500000 S\n0.632625 0.367375 0.000000 S\n0.121705 0.490539 0.496670 S\n0.509461 0.878295 0.503330 S\n0.621705 0.990539 0.003330 S\n0.009461 0.378295 0.996670 S\n0.815425 0.680004 0.431706 S\n0.319996 0.184575 0.568294 S\n0.315425 0.180004 0.068294 S\n0.819996 0.684575 0.931706 S\n0.003743 0.880784 0.250156 S\n0.119216 0.996257 0.749844 S\n0.503743 0.380784 0.249844 S\n0.619216 0.496257 0.750156 S\n0.499602 0.500398 0.500000 S\n0.999602 0.000398 0.000000 S\n0.141629 0.389262 0.247657 S\n0.610738 0.858371 0.752343 S\n0.641629 0.889262 0.252343 S\n0.110738 0.358371 0.747657 S\n","nsites":60,"nelements":4,"elements":["Nd","Ga","Sb","S"],"chemical_system":"Ga-Nd-S-Sb","density":4.888555916683421,"density_atomic":0.04177658829061463,"volume":1436.2111042341714,"volume_molar":14.415109051288688,"formula_full":"Nd16 Ga4 Sb4 S36","formula_reduced":"Nd4GaSbS9","formula_anonymous":"ABC4D9","energy":-364.20326508,"energy_per_atom":-6.070054418,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-346.09526508,"band_gap":2.1846,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.003128,"is_theoretical":false,"updated_at":"2021-11-28T01:34:23.721000Z","spacegroup":41},{"id":"mp-1047618","created_at":"2022-09-04T14:39:05.191089Z","structure_string":"V4 O8\n1.0\n1.488171 -4.727870 0.000000\n1.488171 4.727870 0.000000\n0.000000 0.000000 9.907757\nV O\n4 8\ndirect\n0.135457 0.864543 0.075761 V\n0.864543 0.135457 0.924239 V\n0.135457 0.864543 0.424239 V\n0.864543 0.135457 0.575761 V\n0.764067 0.235933 0.398749 O\n0.235933 0.764067 0.601251 O\n0.235933 0.764067 0.898749 O\n0.764067 0.235933 0.101251 O\n0.075771 0.924229 0.250000 O\n0.924229 0.075771 0.750000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n","nsites":12,"nelements":2,"elements":["V","O"],"chemical_system":"O-V","density":3.951399904002629,"density_atomic":0.08607113705584982,"volume":139.4195593374518,"volume_molar":6.996701758560893,"formula_full":"V4 O8","formula_reduced":"VO2","formula_anonymous":"AB2","energy":-103.83753686,"energy_per_atom":-8.653128071666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.54153686,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0003084,"is_theoretical":true,"updated_at":"2021-11-28T01:34:28.894000Z","spacegroup":63},{"id":"mp-1235232","created_at":"2022-09-04T14:39:05.194008Z","structure_string":"Sr2 Li1 Yb1 U1 O6\n1.0\n-4.263842 -4.263842 0.000000\n-4.263842 0.000000 -4.263842\n0.379384 -4.643226 -4.643226\nSr Li Yb U O\n2 1 1 1 6\ndirect\n0.693618 0.693618 0.919146 Sr\n0.251983 0.251983 0.244052 Sr\n0.866038 0.866038 0.401885 Li\n0.498932 0.498932 0.503206 Yb\n0.016538 0.016538 0.950385 U\n0.765687 0.765687 0.217601 O\n0.249968 0.249968 0.744925 O\n0.755140 0.249968 0.744925 O\n0.251025 0.765687 0.217601 O\n0.249968 0.755140 0.744925 O\n0.765687 0.251025 0.217601 O\n","nsites":11,"nelements":5,"elements":["Sr","Li","Yb","U","O"],"chemical_system":"Li-O-Sr-U-Yb","density":6.513012603450565,"density_atomic":0.06259664495194253,"volume":175.72826799974752,"volume_molar":9.620548776413484,"formula_full":"Sr2 Li1 Yb1 U1 O6","formula_reduced":"Sr2LiYbUO6","formula_anonymous":"ABCD2E6","energy":-82.23172077,"energy_per_atom":-7.475610979090908,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.10972077,"band_gap":0.1806000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9924682,"is_theoretical":true,"updated_at":"2021-11-28T01:34:23.746000Z","spacegroup":160},{"id":"mp-1102133","created_at":"2022-09-04T14:39:05.199125Z","structure_string":"Tm8 Pt4\n1.0\n4.723161 0.000000 0.000000\n0.000000 7.068775 0.000000\n0.000000 0.000000 8.659220\nTm Pt\n8 4\ndirect\n0.250000 0.855337 0.922695 Tm\n0.250000 0.355337 0.577305 Tm\n0.750000 0.144663 0.077305 Tm\n0.750000 0.644663 0.422695 Tm\n0.250000 0.987624 0.330792 Tm\n0.250000 0.487624 0.169208 Tm\n0.750000 0.012376 0.669208 Tm\n0.750000 0.512376 0.830792 Tm\n0.250000 0.258718 0.904643 Pt\n0.250000 0.758718 0.595357 Pt\n0.750000 0.741282 0.095357 Pt\n0.750000 0.241282 0.404643 Pt\n","nsites":12,"nelements":2,"elements":["Tm","Pt"],"chemical_system":"Pt-Tm","density":12.24452227717114,"density_atomic":0.041507403259879755,"volume":289.1050525340612,"volume_molar":14.508594339894263,"formula_full":"Tm8 Pt4","formula_reduced":"Tm2Pt","formula_anonymous":"AB2","energy":-71.99240087,"energy_per_atom":-5.999366739166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.99240087,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.020909,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.006000Z","spacegroup":62},{"id":"mp-12645","created_at":"2022-09-04T14:39:05.213575Z","structure_string":"Li4 Ho4 O8\n1.0\n6.157860 0.000000 0.000000\n0.000000 6.207074 0.000000\n0.000000 3.098421 5.466971\nLi Ho O\n4 4 8\ndirect\n0.345404 0.709124 0.063366 Li\n0.845404 0.290876 0.436634 Li\n0.654596 0.290876 0.936634 Li\n0.154596 0.709124 0.563366 Li\n0.869732 0.766682 0.978472 Ho\n0.630268 0.766682 0.478472 Ho\n0.130268 0.233318 0.021528 Ho\n0.369732 0.233318 0.521528 Ho\n0.609226 0.547285 0.264672 O\n0.829441 0.009144 0.156012 O\n0.109226 0.452715 0.235328 O\n0.390774 0.452715 0.735328 O\n0.170559 0.990856 0.843988 O\n0.329441 0.990856 0.343988 O\n0.670559 0.009144 0.656012 O\n0.890774 0.547285 0.764672 O\n","nsites":16,"nelements":3,"elements":["Li","Ho","O"],"chemical_system":"Ho-Li-O","density":6.480360456298269,"density_atomic":0.0765696176700194,"volume":208.96016575337757,"volume_molar":7.86492207124857,"formula_full":"Li4 Ho4 O8","formula_reduced":"LiHoO2","formula_anonymous":"ABC2","energy":-118.39987534,"energy_per_atom":-7.39999220875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-112.90387534,"band_gap":4.018199999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":8.79e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:41.600000Z","spacegroup":14},{"id":"mp-545482","created_at":"2022-09-04T14:39:05.215074Z","structure_string":"Pd2 Se2 O6\n1.0\n6.565476 0.000000 0.000000\n0.000000 4.030541 0.000000\n0.000000 0.644800 6.228874\nPd Se O\n2 2 6\ndirect\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.500000 Pd\n0.750000 0.053974 0.177984 Se\n0.250000 0.946026 0.822016 Se\n0.040954 0.200955 0.781585 O\n0.750000 0.219813 0.442620 O\n0.959046 0.799045 0.218415 O\n0.540954 0.799045 0.218415 O\n0.250000 0.780187 0.557380 O\n0.459046 0.200955 0.781585 O\n","nsites":10,"nelements":3,"elements":["Pd","Se","O"],"chemical_system":"O-Pd-Se","density":4.7021910628342845,"density_atomic":0.06066816967177719,"volume":164.83108117652668,"volume_molar":9.926359724680301,"formula_full":"Pd2 Se2 O6","formula_reduced":"PdSeO3","formula_anonymous":"ABC3","energy":-57.36829246,"energy_per_atom":-5.736829246,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.24629246,"band_gap":1.0589,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.16e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:38.097000Z","spacegroup":11},{"id":"mp-1182172","created_at":"2022-09-04T14:39:05.224369Z","structure_string":"C3 N4\n1.0\n-1.148931 2.954605 4.659029\n1.148931 -2.954605 4.659029\n1.148931 2.954605 -4.659029\nC N\n3 4\ndirect\n0.721534 0.000000 0.721534 C\n0.233271 0.130928 0.102343 C\n0.971416 0.869072 0.102343 C\n0.968907 0.000000 0.968907 N\n0.978207 0.310570 0.667637 N\n0.357067 0.689430 0.667637 N\n0.609239 0.500000 0.109239 N\n","nsites":7,"nelements":2,"elements":["C","N"],"chemical_system":"C-N","density":2.416384813946705,"density_atomic":0.11064944985720646,"volume":63.26285407684834,"volume_molar":5.442540173287436,"formula_full":"C3 N4","formula_reduced":"C3N4","formula_anonymous":"A3B4","energy":-59.22715966000001,"energy_per_atom":-8.46102280857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-57.78315966,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.8e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:23.207000Z","spacegroup":44},{"id":"mp-1246040","created_at":"2022-09-04T14:39:05.246838Z","structure_string":"Ga2 C12 N18\n1.0\n7.445499 0.808356 0.000000\n10.896168 7.455293 0.000000\n0.000000 0.000000 11.562959\nGa C N\n2 12 18\ndirect\n0.000000 0.280898 0.250000 Ga\n0.000000 0.719102 0.750000 Ga\n0.679552 0.783691 0.250000 C\n0.679552 0.536756 0.750000 C\n0.320448 0.216309 0.750000 C\n0.320448 0.463244 0.250000 C\n0.679438 0.304472 0.907186 C\n0.679438 0.016090 0.092814 C\n0.679438 0.304472 0.592814 C\n0.679438 0.016090 0.407186 C\n0.320562 0.695528 0.092814 C\n0.320562 0.983910 0.907186 C\n0.320562 0.695528 0.407186 C\n0.320562 0.983910 0.592814 C\n0.000000 0.576889 0.250000 N\n0.000000 0.423111 0.750000 N\n0.377122 0.972132 0.250000 N\n0.377122 0.650746 0.750000 N\n0.622878 0.027868 0.750000 N\n0.622878 0.349254 0.250000 N\n0.000000 0.125663 0.955687 N\n0.000000 0.874337 0.044313 N\n0.000000 0.125663 0.544313 N\n0.000000 0.874337 0.455687 N\n0.376481 0.470857 0.868618 N\n0.376481 0.152663 0.131382 N\n0.376481 0.470857 0.631382 N\n0.376481 0.152663 0.368618 N\n0.623519 0.529143 0.131382 N\n0.623519 0.847337 0.868618 N\n0.623519 0.529143 0.368618 N\n0.623519 0.847337 0.631382 N\n","nsites":32,"nelements":3,"elements":["Ga","C","N"],"chemical_system":"C-Ga-N","density":1.6473169300478205,"density_atomic":0.05925983663096243,"volume":539.994738751616,"volume_molar":10.16226352006768,"formula_full":"Ga2 C12 N18","formula_reduced":"Ga(C2N3)3","formula_anonymous":"AB6C9","energy":-261.65307974,"energy_per_atom":-8.176658741875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-255.15507974,"band_gap":3.6013,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013483,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.007000Z","spacegroup":63}]}