{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=12154","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=12152","results":[{"id":"mp-1666644","created_at":"2022-09-04T14:47:13.947341Z","structure_string":"Li14 Mn10 O24\n1.0\n5.213142 0.114191 0.772022\n-2.379144 5.491825 0.770200\n-3.107102 -5.439380 13.754225\nLi Mn O\n14 10 24\ndirect\n0.333354 0.166671 0.333326 Li\n0.833354 0.666637 0.833334 Li\n0.573934 0.167780 0.082216 Li\n0.103683 0.663998 0.589306 Li\n0.563015 0.669389 0.077352 Li\n0.092761 0.165556 0.584475 Li\n0.748606 0.011113 0.251655 Li\n0.233954 0.519658 0.751425 Li\n0.918218 0.322227 0.415029 Li\n0.432614 0.813638 0.915247 Li\n0.919594 0.839920 0.412569 Li\n0.421107 0.342490 0.908772 Li\n0.747101 0.493462 0.254094 Li\n0.245542 0.990848 0.757861 Li\n0.833158 0.166612 0.833376 Mn\n0.333450 0.666676 0.333351 Mn\n0.498164 0.502225 0.498068 Mn\n0.992172 0.998501 0.998373 Mn\n0.168445 0.831125 0.168591 Mn\n0.674373 0.334770 0.668254 Mn\n0.495522 0.007674 0.497855 Mn\n0.992411 0.503568 0.996380 Mn\n0.171108 0.325688 0.168804 Mn\n0.674491 0.829737 0.670312 Mn\n0.277965 0.317472 0.050658 O\n0.743641 0.842870 0.540229 O\n0.923045 0.490484 0.126431 O\n0.388631 0.015879 0.615997 O\n0.415401 0.165456 0.203416 O\n0.945797 0.647992 0.702797 O\n0.251233 0.167922 0.463240 O\n0.720869 0.685294 0.963854 O\n0.611104 0.984573 0.377598 O\n0.111219 0.483912 0.877302 O\n0.055591 0.348820 0.289074 O\n0.555366 0.849348 0.789378 O\n0.274994 0.816070 0.045979 O\n0.779361 0.314953 0.540883 O\n0.887285 0.018399 0.125766 O\n0.391732 0.517315 0.620694 O\n0.452540 0.644715 0.215252 O\n0.952397 0.146345 0.715024 O\n0.214191 0.688653 0.451415 O\n0.714236 0.186973 0.951661 O\n0.586365 0.520398 0.377258 O\n0.086644 0.022059 0.877620 O\n0.080312 0.812936 0.289408 O\n0.579951 0.311202 0.789039 O\n","nsites":48,"nelements":3,"elements":["Li","Mn","O"],"chemical_system":"Li-Mn-O","density":3.8694522972617627,"density_atomic":0.10853673736415077,"volume":442.24657167421174,"volume_molar":5.548481469269859,"formula_full":"Li14 Mn10 O24","formula_reduced":"Li7Mn5O12","formula_anonymous":"A5B7C12","energy":-339.87509888,"energy_per_atom":-7.080731226666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-306.70709888,"band_gap":0.605,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":36.0006198,"is_theoretical":true,"updated_at":"2021-11-28T01:38:03.902000Z","spacegroup":2},{"id":"mp-13495","created_at":"2022-09-04T14:47:13.957789Z","structure_string":"Zr2 Pd2\n1.0\n1.670534 -5.221097 0.000000\n1.670534 5.221097 0.000000\n0.000000 0.000000 4.441156\nZr Pd\n2 2\ndirect\n0.857752 0.142248 0.750000 Zr\n0.142248 0.857752 0.250000 Zr\n0.588457 0.411543 0.750000 Pd\n0.411543 0.588457 0.250000 Pd\n","nsites":4,"nelements":2,"elements":["Zr","Pd"],"chemical_system":"Pd-Zr","density":8.472656953462202,"density_atomic":0.05163175487500231,"volume":77.47170340585525,"volume_molar":11.663637570675792,"formula_full":"Zr2 Pd2","formula_reduced":"ZrPd","formula_anonymous":"AB","energy":-30.06300801,"energy_per_atom":-7.5157520025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.06300801,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000363,"is_theoretical":false,"updated_at":"2021-11-28T01:37:58.918000Z","spacegroup":63},{"id":"mp-1093695","created_at":"2022-09-04T14:47:13.958505Z","structure_string":"Si1 Tc2 P1\n1.0\n-4.526845 4.997008 7.070081\n4.526845 -4.997008 7.070081\n4.526845 4.997008 -7.070081\nSi Tc P\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.255414 0.255414 Tc\n0.000000 0.744586 0.744586 Tc\n0.000000 0.500000 0.500000 P\n","nsites":4,"nelements":3,"elements":["Si","Tc","P"],"chemical_system":"P-Si-Tc","density":0.6620642633062749,"density_atomic":0.006252733824931913,"volume":639.720178724153,"volume_molar":96.31212408223017,"formula_full":"Si1 Tc2 P1","formula_reduced":"SiTc2P","formula_anonymous":"ABC2","energy":-21.19376115,"energy_per_atom":-5.2984402875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.26476115,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.3322384,"is_theoretical":true,"updated_at":"2021-11-28T01:37:51.795000Z","spacegroup":71},{"id":"mp-1185834","created_at":"2022-09-04T14:47:13.983807Z","structure_string":"Mg5 Se1\n1.0\n1.720512 5.420468 0.000000\n-1.720512 5.420468 0.000000\n0.000000 2.390487 7.551429\nMg Se\n5 1\ndirect\n0.023862 0.023862 0.060586 Mg\n0.339645 0.339645 0.895330 Mg\n0.656875 0.656875 0.708330 Mg\n0.950130 0.950130 0.545601 Mg\n0.279588 0.279588 0.327012 Mg\n0.583233 0.583233 0.296474 Se\n","nsites":6,"nelements":2,"elements":["Mg","Se"],"chemical_system":"Mg-Se","density":2.363618346545565,"density_atomic":0.042598825021527294,"volume":140.84895526972642,"volume_molar":14.136870575553937,"formula_full":"Mg5 Se1","formula_reduced":"Mg5Se","formula_anonymous":"AB5","energy":-13.12828828,"energy_per_atom":-2.1880480466666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.656288279999998,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.34e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:00.423000Z","spacegroup":8},{"id":"mp-1208966","created_at":"2022-09-04T14:47:13.973803Z","structure_string":"Sm12 Si8 Pd8\n1.0\n5.712678 0.000000 0.000000\n0.000000 8.078083 0.000000\n0.000000 0.000000 13.143081\nSm Si Pd\n12 8 8\ndirect\n0.642996 0.251213 0.250000 Sm\n0.357004 0.748787 0.750000 Sm\n0.357004 0.751213 0.250000 Sm\n0.642996 0.248787 0.750000 Sm\n0.129731 0.391463 0.104111 Sm\n0.870269 0.608537 0.895889 Sm\n0.870269 0.608537 0.604111 Sm\n0.870269 0.891463 0.395889 Sm\n0.129731 0.391463 0.395889 Sm\n0.129731 0.108537 0.604111 Sm\n0.129731 0.108537 0.895889 Sm\n0.870269 0.891463 0.104111 Sm\n0.148030 0.102798 0.250000 Si\n0.851970 0.897202 0.750000 Si\n0.851970 0.602798 0.250000 Si\n0.148030 0.397202 0.750000 Si\n0.669228 0.250000 0.000000 Si\n0.330772 0.750000 0.000000 Si\n0.330772 0.750000 0.500000 Si\n0.669228 0.250000 0.500000 Si\n0.382575 0.040199 0.091847 Pd\n0.617425 0.959801 0.908153 Pd\n0.617425 0.959801 0.591847 Pd\n0.617425 0.540199 0.408153 Pd\n0.382575 0.040199 0.408153 Pd\n0.382575 0.459801 0.591847 Pd\n0.382575 0.459801 0.908153 Pd\n0.617425 0.540199 0.091847 Pd\n","nsites":28,"nelements":3,"elements":["Sm","Si","Pd"],"chemical_system":"Pd-Si-Sm","density":7.885899369811507,"density_atomic":0.04616499474153711,"volume":606.5201600641991,"volume_molar":13.04482063458692,"formula_full":"Sm12 Si8 Pd8","formula_reduced":"Sm3(SiPd)2","formula_anonymous":"A2B2C3","energy":-165.13605237,"energy_per_atom":-5.897716156071428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-165.13605237,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013662,"is_theoretical":true,"updated_at":"2021-11-28T01:37:59.239000Z","spacegroup":57},{"id":"mp-569366","created_at":"2022-09-04T14:47:13.985809Z","structure_string":"Nb6 Tl2\n1.0\n5.363015 0.000000 0.000000\n0.000000 5.363015 0.000000\n0.000000 0.000000 5.363015\nNb Tl\n6 2\ndirect\n0.500000 0.750000 0.000000 Nb\n0.000000 0.500000 0.750000 Nb\n0.500000 0.250000 0.000000 Nb\n0.000000 0.500000 0.250000 Nb\n0.250000 0.000000 0.500000 Nb\n0.750000 0.000000 0.500000 Nb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n","nsites":8,"nelements":2,"elements":["Nb","Tl"],"chemical_system":"Nb-Tl","density":10.401387810614487,"density_atomic":0.05186363498103238,"volume":154.25066143022502,"volume_molar":11.611489943198976,"formula_full":"Nb6 Tl2","formula_reduced":"Nb3Tl","formula_anonymous":"AB3","energy":-63.66645688,"energy_per_atom":-7.95830711,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.66645688,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0062131,"is_theoretical":false,"updated_at":"2021-11-28T01:37:54.513000Z","spacegroup":223},{"id":"mp-1202996","created_at":"2022-09-04T14:47:13.999661Z","structure_string":"Nd6 Ge26 Rh8\n1.0\n9.118498 0.000000 0.000000\n0.000000 9.118498 0.000000\n0.000000 0.000000 9.118498\nNd Ge Rh\n6 26 8\ndirect\n0.000000 0.500000 0.750000 Nd\n0.500000 0.250000 0.000000 Nd\n0.750000 0.000000 0.500000 Nd\n0.000000 0.500000 0.250000 Nd\n0.500000 0.750000 0.000000 Nd\n0.250000 0.000000 0.500000 Nd\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.808264 0.350415 0.500000 Ge\n0.649585 0.500000 0.808264 Ge\n0.500000 0.191736 0.649585 Ge\n0.191736 0.649585 0.500000 Ge\n0.350415 0.500000 0.191736 Ge\n0.500000 0.808264 0.350415 Ge\n0.808264 0.649585 0.500000 Ge\n0.649585 0.500000 0.191736 Ge\n0.191736 0.350415 0.500000 Ge\n0.350415 0.500000 0.808264 Ge\n0.500000 0.808264 0.649585 Ge\n0.500000 0.191736 0.350415 Ge\n0.308264 0.000000 0.850415 Ge\n0.149585 0.308264 0.000000 Ge\n0.000000 0.149585 0.691736 Ge\n0.691736 0.000000 0.149585 Ge\n0.850415 0.691736 0.000000 Ge\n0.000000 0.850415 0.308264 Ge\n0.308264 0.000000 0.149585 Ge\n0.149585 0.691736 0.000000 Ge\n0.691736 0.000000 0.850415 Ge\n0.850415 0.308264 0.000000 Ge\n0.000000 0.149585 0.308264 Ge\n0.000000 0.850415 0.691736 Ge\n0.750000 0.250000 0.750000 Rh\n0.250000 0.750000 0.250000 Rh\n0.750000 0.750000 0.250000 Rh\n0.250000 0.250000 0.750000 Rh\n0.250000 0.750000 0.750000 Rh\n0.750000 0.250000 0.250000 Rh\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n","nsites":40,"nelements":3,"elements":["Nd","Ge","Rh"],"chemical_system":"Ge-Nd-Rh","density":7.834998342505825,"density_atomic":0.05275821213242744,"volume":758.1758058744811,"volume_molar":11.4146035595064,"formula_full":"Nd6 Ge26 Rh8","formula_reduced":"Nd3Ge13Rh4","formula_anonymous":"A3B4C13","energy":-229.41497247,"energy_per_atom":-5.73537431175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-229.41497247,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006408,"is_theoretical":false,"updated_at":"2021-11-28T01:37:56.145000Z","spacegroup":223},{"id":"mp-759570","created_at":"2022-09-04T14:47:14.020557Z","structure_string":"Li4 V20 F44\n1.0\n14.444471 0.000000 0.000000\n0.000000 8.227601 0.000000\n0.000000 6.836932 8.423124\nLi V F\n4 20 44\ndirect\n0.935930 0.258322 0.610570 Li\n0.435930 0.741678 0.889430 Li\n0.564070 0.258322 0.110570 Li\n0.064070 0.741678 0.389430 Li\n0.828006 0.727520 0.547879 V\n0.324672 0.505794 0.573609 V\n0.175214 0.762179 0.695523 V\n0.504255 0.536191 0.728009 V\n0.663148 0.983762 0.660257 V\n0.004255 0.463809 0.771991 V\n0.675214 0.237821 0.804477 V\n0.824672 0.494206 0.926391 V\n0.163148 0.016238 0.839743 V\n0.328006 0.272480 0.952121 V\n0.671994 0.727520 0.047879 V\n0.836852 0.983762 0.160257 V\n0.175328 0.505794 0.073609 V\n0.324786 0.762179 0.195523 V\n0.995745 0.536191 0.228009 V\n0.336852 0.016238 0.339743 V\n0.495745 0.463809 0.271991 V\n0.824786 0.237821 0.304477 V\n0.675328 0.494206 0.426391 V\n0.171994 0.272480 0.452121 V\n0.409630 0.744206 0.533984 F\n0.083335 0.711023 0.572764 F\n0.252633 0.019286 0.500422 F\n0.598705 0.481353 0.601770 F\n0.917200 0.487922 0.603034 F\n0.558812 0.781526 0.709926 F\n0.241191 0.256998 0.631786 F\n0.908687 0.700339 0.725537 F\n0.747065 0.228983 0.632600 F\n0.253467 0.510510 0.743150 F\n0.753467 0.489490 0.756850 F\n0.101169 0.015799 0.659244 F\n0.408687 0.299661 0.774463 F\n0.058812 0.218474 0.790074 F\n0.417200 0.512078 0.896966 F\n0.098705 0.518647 0.898230 F\n0.601169 0.984201 0.840756 F\n0.583335 0.288977 0.927236 F\n0.909630 0.255794 0.966016 F\n0.247065 0.771017 0.867400 F\n0.741191 0.743002 0.868214 F\n0.752633 0.980714 0.999578 F\n0.247367 0.019286 0.000422 F\n0.258809 0.256998 0.131786 F\n0.752935 0.228983 0.132600 F\n0.090370 0.744206 0.033984 F\n0.416665 0.711023 0.072764 F\n0.398831 0.015799 0.159244 F\n0.901295 0.481353 0.101770 F\n0.582800 0.487922 0.103034 F\n0.941188 0.781526 0.209926 F\n0.591313 0.700339 0.225537 F\n0.898831 0.984201 0.340756 F\n0.246533 0.510510 0.243150 F\n0.746533 0.489490 0.256850 F\n0.252935 0.771017 0.367400 F\n0.091313 0.299661 0.274463 F\n0.758809 0.743002 0.368214 F\n0.441188 0.218474 0.290074 F\n0.082800 0.512078 0.396966 F\n0.401295 0.518647 0.398230 F\n0.747367 0.980714 0.499578 F\n0.916665 0.288977 0.427236 F\n0.590370 0.255794 0.466016 F\n","nsites":68,"nelements":3,"elements":["Li","V","F"],"chemical_system":"F-Li-V","density":3.122780807796773,"density_atomic":0.06792988118315232,"volume":1001.0322234578715,"volume_molar":8.865230816116288,"formula_full":"Li4 V20 F44","formula_reduced":"LiV5F11","formula_anonymous":"AB5C11","energy":-473.70705354,"energy_per_atom":-6.966280199117647,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-419.37905354,"band_gap":2.248,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":60.0000002,"is_theoretical":true,"updated_at":"2021-11-28T01:38:04.148000Z","spacegroup":14},{"id":"mp-1246386","created_at":"2022-09-04T14:47:14.028477Z","structure_string":"Sb2 Pb6 N2\n1.0\n-3.779714 -3.645440 -4.959711\n3.779714 -3.645440 4.959711\n-3.779714 3.645440 4.959711\nSb Pb N\n2 6 2\ndirect\n0.002844 0.750000 0.752844 Sb\n0.997156 0.250000 0.247156 Sb\n0.500000 0.289389 0.289389 Pb\n0.000000 0.210611 0.710611 Pb\n0.500000 0.710611 0.710611 Pb\n0.000000 0.789389 0.289389 Pb\n0.567726 0.250000 0.817726 Pb\n0.432274 0.750000 0.182274 Pb\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 N\n","nsites":10,"nelements":3,"elements":["Sb","Pb","N"],"chemical_system":"N-Pb-Sb","density":9.201529925911283,"density_atomic":0.03658261476266361,"volume":273.35388858551596,"volume_molar":16.461755943553346,"formula_full":"Sb2 Pb6 N2","formula_reduced":"SbPb3N","formula_anonymous":"ABC3","energy":-44.315661950000006,"energy_per_atom":-4.431566195,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.20966195,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001508,"is_theoretical":true,"updated_at":"2021-11-28T01:37:53.493000Z","spacegroup":74},{"id":"mp-1197665","created_at":"2022-09-04T14:47:14.052694Z","structure_string":"Mg2 Tl4 H24 Se4 O28\n1.0\n12.910125 0.000000 0.000000\n0.000000 6.475879 0.000000\n0.000000 2.603040 9.182553\nMg Tl H Se O\n2 4 24 4 28\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.141963 0.646537 0.620359 Tl\n0.641963 0.353463 0.879641 Tl\n0.858037 0.353463 0.379641 Tl\n0.358037 0.646537 0.120359 Tl\n0.411803 0.680038 0.709136 H\n0.911803 0.319962 0.790864 H\n0.588197 0.319962 0.290864 H\n0.088197 0.680038 0.209136 H\n0.374527 0.901571 0.737217 H\n0.874527 0.098429 0.762783 H\n0.625473 0.098429 0.262783 H\n0.125473 0.901571 0.237217 H\n0.403142 0.064895 0.237813 H\n0.903142 0.935105 0.262187 H\n0.596858 0.935105 0.762187 H\n0.096858 0.064895 0.737813 H\n0.317512 0.997436 0.360309 H\n0.817512 0.002564 0.139691 H\n0.682488 0.002564 0.639691 H\n0.182488 0.997436 0.860309 H\n0.558775 0.669341 0.400984 H\n0.058775 0.330659 0.099016 H\n0.441225 0.330659 0.599016 H\n0.941225 0.669341 0.900984 H\n0.638611 0.675183 0.525375 H\n0.138611 0.324817 0.974625 H\n0.361389 0.324817 0.474625 H\n0.861389 0.675183 0.025375 H\n0.358914 0.261408 0.905666 Se\n0.858914 0.738592 0.594334 Se\n0.641086 0.738592 0.094334 Se\n0.141086 0.261408 0.405666 Se\n0.257471 0.421599 0.910368 O\n0.757471 0.578401 0.589632 O\n0.742529 0.578401 0.089632 O\n0.242529 0.421599 0.410368 O\n0.426614 0.217321 0.060870 O\n0.926614 0.782679 0.439130 O\n0.573386 0.782679 0.939130 O\n0.073386 0.217321 0.560870 O\n0.438295 0.393374 0.770028 O\n0.938295 0.606626 0.729972 O\n0.561705 0.606626 0.229972 O\n0.061705 0.393374 0.270028 O\n0.318470 0.028847 0.877266 O\n0.818470 0.971153 0.622734 O\n0.681530 0.971153 0.122734 O\n0.181530 0.028847 0.377266 O\n0.396215 0.832826 0.661391 O\n0.896215 0.167174 0.838609 O\n0.603785 0.167174 0.338609 O\n0.103785 0.832826 0.161391 O\n0.391903 0.977383 0.339663 O\n0.891903 0.022617 0.160337 O\n0.608097 0.022617 0.660337 O\n0.108097 0.977383 0.839663 O\n0.566751 0.715820 0.490857 O\n0.066751 0.284180 0.009143 O\n0.433249 0.284180 0.509143 O\n0.933249 0.715820 0.990857 O\n","nsites":62,"nelements":5,"elements":["Mg","Tl","H","Se","O"],"chemical_system":"H-Mg-O-Se-Tl","density":3.5779411879725713,"density_atomic":0.08076051375982797,"volume":767.7019017533806,"volume_molar":7.4567885710944335,"formula_full":"Mg2 Tl4 H24 Se4 O28","formula_reduced":"MgTl2H12(SeO7)2","formula_anonymous":"AB2C2D12E14","energy":-333.25107489,"energy_per_atom":-5.375017336935484,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-314.01507489,"band_gap":3.9844,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001568,"is_theoretical":false,"updated_at":"2021-11-28T01:37:54.845000Z","spacegroup":14},{"id":"mp-6745","created_at":"2022-09-04T14:47:14.061359Z","structure_string":"Li2 Ga2 Si4 O12\n1.0\n4.355074 4.868805 0.000000\n-4.355074 4.868805 0.000000\n0.000000 1.898052 4.991341\nLi Ga Si O\n2 2 4 12\ndirect\n0.741521 0.258479 0.750000 Li\n0.258479 0.741521 0.250000 Li\n0.101444 0.898556 0.750000 Ga\n0.898556 0.101444 0.250000 Ga\n0.612873 0.794100 0.762372 Si\n0.387127 0.205900 0.237628 Si\n0.794100 0.612873 0.262372 Si\n0.205900 0.387127 0.737628 Si\n0.355821 0.354879 0.948594 O\n0.354879 0.355821 0.448594 O\n0.644179 0.645121 0.051406 O\n0.645121 0.644179 0.551406 O\n0.970424 0.801702 0.144032 O\n0.627262 0.107755 0.171489 O\n0.029576 0.198298 0.855968 O\n0.801702 0.970424 0.644032 O\n0.198298 0.029576 0.355968 O\n0.372738 0.892245 0.828511 O\n0.107755 0.627262 0.671489 O\n0.892245 0.372738 0.328511 O\n","nsites":20,"nelements":4,"elements":["Li","Ga","Si","O"],"chemical_system":"Ga-Li-O-Si","density":3.590290204187349,"density_atomic":0.09448542895047267,"volume":211.6728496886392,"volume_molar":6.373618479476536,"formula_full":"Li2 Ga2 Si4 O12","formula_reduced":"LiGa(SiO3)2","formula_anonymous":"ABC2D6","energy":-148.72833549,"energy_per_atom":-7.4364167745000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.48433549,"band_gap":4.5071,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:38:02.861000Z","spacegroup":15},{"id":"mp-1194572","created_at":"2022-09-04T14:47:13.985751Z","structure_string":"Co10 B32\n1.0\n2.924060 0.000000 0.000000\n0.000000 5.464790 0.000000\n0.000000 0.000000 19.052141\nCo B\n10 32\ndirect\n0.000000 0.571315 0.346520 Co\n0.000000 0.428685 0.653480 Co\n0.000000 0.571315 0.153480 Co\n0.000000 0.428685 0.846520 Co\n0.500000 0.950918 0.316646 Co\n0.500000 0.049082 0.683354 Co\n0.500000 0.950918 0.183354 Co\n0.500000 0.049082 0.816646 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.780225 0.250000 B\n0.000000 0.219775 0.750000 B\n0.000000 0.211191 0.338745 B\n0.000000 0.788809 0.661255 B\n0.000000 0.211191 0.161255 B\n0.000000 0.788809 0.838745 B\n0.500000 0.506285 0.429679 B\n0.500000 0.493715 0.570321 B\n0.500000 0.506285 0.070321 B\n0.500000 0.493715 0.929679 B\n0.500000 0.607226 0.250000 B\n0.500000 0.392774 0.750000 B\n0.000000 0.305534 0.431831 B\n0.000000 0.694466 0.568169 B\n0.000000 0.305534 0.068169 B\n0.000000 0.694466 0.931831 B\n0.000000 0.983349 0.395138 B\n0.000000 0.016651 0.604862 B\n0.000000 0.983349 0.104862 B\n0.000000 0.016651 0.895138 B\n0.500000 0.329781 0.297117 B\n0.500000 0.670219 0.702883 B\n0.500000 0.329781 0.202883 B\n0.500000 0.670219 0.797117 B\n0.500000 0.290989 0.490903 B\n0.500000 0.709011 0.509097 B\n0.500000 0.290989 0.009097 B\n0.500000 0.709011 0.990903 B\n0.500000 0.821273 0.422963 B\n0.500000 0.178727 0.577037 B\n0.500000 0.821273 0.077037 B\n0.500000 0.178727 0.922963 B\n","nsites":42,"nelements":2,"elements":["Co","B"],"chemical_system":"B-Co","density":5.10139596972121,"density_atomic":0.13795763668739608,"volume":304.44128363237724,"volume_molar":4.365210150450618,"formula_full":"Co10 B32","formula_reduced":"Co5B16","formula_anonymous":"A5B16","energy":-291.61297325,"energy_per_atom":-6.943166029761905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-291.61297325,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0309477,"is_theoretical":false,"updated_at":"2021-11-28T01:38:01.257000Z","spacegroup":51}]}