{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=10164","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=10162","results":[{"id":"mp-1190468","created_at":"2022-09-04T14:42:25.038740Z","structure_string":"Na4 Ti6 O13\n1.0\n0.000000 -3.976159 0.000000\n-7.119517 1.988079 0.831629\n-0.608238 0.000000 -9.320043\nNa Ti O\n4 6 13\ndirect\n0.401073 0.802146 0.100236 Na\n0.598927 0.197854 0.899764 Na\n0.488018 0.976036 0.351329 Na\n0.511982 0.023964 0.648671 Na\n0.112109 0.224219 0.128930 Ti\n0.887891 0.775781 0.871070 Ti\n0.171524 0.343047 0.457563 Ti\n0.828476 0.656953 0.542437 Ti\n0.244230 0.488460 0.780519 Ti\n0.755770 0.511540 0.219481 Ti\n0.243425 0.486849 0.246012 O\n0.756575 0.513151 0.753988 O\n0.068141 0.136282 0.327313 O\n0.931859 0.863718 0.672687 O\n0.307545 0.615090 0.559289 O\n0.692455 0.384910 0.440711 O\n0.129097 0.258194 0.637788 O\n0.870903 0.741806 0.362212 O\n0.381639 0.763279 0.856213 O\n0.618361 0.236721 0.143787 O\n0.180564 0.361128 0.940082 O\n0.819436 0.638872 0.059918 O\n0.000000 0.000000 0.000000 O\n","nsites":23,"nelements":3,"elements":["Na","Ti","O"],"chemical_system":"Na-O-Ti","density":3.6675011411374143,"density_atomic":0.08651621416186044,"volume":265.8461217104349,"volume_molar":6.960707675827526,"formula_full":"Na4 Ti6 O13","formula_reduced":"Na4Ti6O13","formula_anonymous":"A4B6C13","energy":-186.20294622000003,"energy_per_atom":-8.095780270434783,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-177.27194622,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0542431,"is_theoretical":true,"updated_at":"2021-11-28T01:35:49.840000Z","spacegroup":12},{"id":"mp-674646","created_at":"2022-09-04T14:43:08.811215Z","structure_string":"Ca4 Bi6 O13\n1.0\n3.712792 0.000000 0.000000\n-0.013640 4.611096 0.000000\n-0.350339 -0.641152 23.687347\nCa Bi O\n4 6 13\ndirect\n0.750850 0.096779 0.945530 Ca\n0.689810 0.084207 0.797699 Ca\n0.223847 0.591811 0.873674 Ca\n0.165532 0.574717 0.721682 Ca\n0.558442 0.060885 0.636774 Bi\n0.377767 0.099116 0.407396 Bi\n0.150770 0.009756 0.171545 Bi\n0.138061 0.509990 0.537649 Bi\n0.875262 0.458976 0.302024 Bi\n0.555437 0.406454 0.067300 Bi\n0.121112 0.073720 0.570545 O\n0.843857 0.060288 0.352672 O\n0.624489 0.991949 0.117476 O\n0.171021 0.073104 0.708825 O\n0.668475 0.582099 0.776260 O\n0.199405 0.090958 0.856182 O\n0.228231 0.161707 0.009218 O\n0.727360 0.602597 0.924776 O\n0.599800 0.383587 0.485502 O\n0.327162 0.246718 0.255724 O\n0.461253 0.565304 0.626020 O\n0.325658 0.516121 0.369150 O\n0.144401 0.439156 0.134377 O\n","nsites":23,"nelements":3,"elements":["Ca","Bi","O"],"chemical_system":"Bi-Ca-O","density":6.64245622866663,"density_atomic":0.05671613534132499,"volume":405.5283361883359,"volume_molar":10.61803792475983,"formula_full":"Ca4 Bi6 O13","formula_reduced":"Ca4Bi6O13","formula_anonymous":"A4B6C13","energy":-144.35695086,"energy_per_atom":-6.276389167826087,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-135.42595086,"band_gap":1.1427999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.436235,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.505000Z","spacegroup":1},{"id":"mp-505440","created_at":"2022-09-04T14:47:46.881073Z","structure_string":"Sr8 Fe12 O26\n1.0\n-2.730236 5.571804 9.941607\n2.730236 -5.571804 9.941607\n2.730236 5.571804 -9.941607\nSr Fe O\n8 12 26\ndirect\n0.216442 0.853270 0.380881 Sr\n0.783558 0.164439 0.636829 Sr\n0.472389 0.353270 0.136829 Sr\n0.527611 0.664439 0.880881 Sr\n0.035681 0.665120 0.374324 Sr\n0.964319 0.338643 0.629439 Sr\n0.290796 0.165120 0.129439 Sr\n0.709204 0.838643 0.874324 Sr\n0.663071 0.610149 0.204903 Fe\n0.336929 0.541832 0.947078 Fe\n0.405246 0.110149 0.447078 Fe\n0.594754 0.041832 0.704903 Fe\n0.055608 0.963559 0.115543 Fe\n0.944392 0.059935 0.907951 Fe\n0.848016 0.463559 0.407951 Fe\n0.151984 0.559935 0.615543 Fe\n0.875093 0.754671 0.126052 Fe\n0.124907 0.250960 0.879578 Fe\n0.628618 0.254671 0.379578 Fe\n0.371382 0.750960 0.626052 Fe\n0.758621 0.628854 0.135838 O\n0.241379 0.377217 0.870233 O\n0.493015 0.128854 0.370233 O\n0.506985 0.877217 0.635838 O\n0.969764 0.842972 0.101589 O\n0.030236 0.131825 0.873207 O\n0.741383 0.342972 0.373207 O\n0.258617 0.631825 0.601589 O\n0.742874 0.997602 0.259539 O\n0.257126 0.516665 0.254729 O\n0.738064 0.497602 0.754729 O\n0.261936 0.016665 0.759539 O\n0.003218 0.003964 0.502533 O\n0.996782 0.499315 0.000746 O\n0.501431 0.503964 0.500746 O\n0.498569 0.999315 0.002533 O\n0.758668 0.944593 0.630896 O\n0.241332 0.872228 0.185925 O\n0.313697 0.444593 0.685925 O\n0.686303 0.372228 0.130896 O\n0.970078 0.423054 0.300443 O\n0.029922 0.330365 0.452976 O\n0.122610 0.923054 0.952976 O\n0.877390 0.830365 0.800443 O\n0.500000 0.800618 0.300618 O\n0.500000 0.300618 0.800618 O\n","nsites":46,"nelements":3,"elements":["Sr","Fe","O"],"chemical_system":"Fe-O-Sr","density":4.905480561883348,"density_atomic":0.07604054652754279,"volume":604.9404179826385,"volume_molar":7.919644235879748,"formula_full":"Sr8 Fe12 O26","formula_reduced":"Sr4Fe6O13","formula_anonymous":"A4B6C13","energy":-344.3406173,"energy_per_atom":-7.485665593478261,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-299.4066173,"band_gap":1.0922,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":60.0005269,"is_theoretical":false,"updated_at":"2021-11-28T01:38:21.182000Z","spacegroup":45},{"id":"mp-1190606","created_at":"2022-09-04T14:47:59.952294Z","structure_string":"Nd6 Zn4 Pd13\n1.0\n-4.854052 4.854052 4.854052\n4.854052 -4.854052 4.854052\n4.854052 4.854052 -4.854052\nNd Zn Pd\n6 4 13\ndirect\n0.697216 0.697216 0.000000 Nd\n0.302784 0.000000 0.302784 Nd\n0.000000 0.302784 0.302784 Nd\n0.302784 0.302784 0.000000 Nd\n0.697216 0.000000 0.697216 Nd\n0.000000 0.697216 0.697216 Nd\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.331082 0.331082 0.662164 Pd\n0.668918 0.000000 0.331082 Pd\n0.000000 0.668918 0.331082 Pd\n0.668918 0.331082 0.000000 Pd\n0.331082 0.662164 0.331082 Pd\n0.000000 0.331082 0.668918 Pd\n0.331082 0.668918 0.000000 Pd\n0.331082 0.000000 0.668918 Pd\n0.662164 0.331082 0.331082 Pd\n0.668918 0.668918 0.337836 Pd\n0.668918 0.337836 0.668918 Pd\n0.337836 0.668918 0.668918 Pd\n0.000000 0.000000 0.000000 Pd\n","nsites":23,"nelements":3,"elements":["Nd","Zn","Pd"],"chemical_system":"Nd-Pd-Zn","density":9.112643112196572,"density_atomic":0.05027528847621738,"volume":457.4812138746872,"volume_molar":11.97833158699579,"formula_full":"Nd6 Zn4 Pd13","formula_reduced":"Nd6Zn4Pd13","formula_anonymous":"A4B6C13","energy":-119.3428362,"energy_per_atom":-5.188818965217391,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-119.3428362,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0357968,"is_theoretical":false,"updated_at":"2021-11-28T01:38:28.599000Z","spacegroup":229},{"id":"mp-569508","created_at":"2022-09-04T14:42:16.141603Z","structure_string":"Pr6 Cd4 Pd13\n1.0\n-4.960990 4.960990 4.960990\n4.960990 -4.960990 4.960990\n4.960990 4.960990 -4.960990\nPr Cd Pd\n6 4 13\ndirect\n0.000000 0.302169 0.302169 Pr\n0.000000 0.697831 0.697831 Pr\n0.302169 0.000000 0.302169 Pr\n0.697831 0.697831 0.000000 Pr\n0.697831 0.000000 0.697831 Pr\n0.302169 0.302169 0.000000 Pr\n0.000000 0.000000 0.500000 Cd\n0.500000 0.000000 0.000000 Cd\n0.000000 0.500000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.340799 0.659201 0.000000 Pd\n0.000000 0.340799 0.659201 Pd\n0.659201 0.000000 0.340799 Pd\n0.318401 0.659201 0.659201 Pd\n0.659201 0.318401 0.659201 Pd\n0.681599 0.340799 0.340799 Pd\n0.340799 0.681599 0.340799 Pd\n0.340799 0.340799 0.681599 Pd\n0.000000 0.659201 0.340799 Pd\n0.659201 0.659201 0.318401 Pd\n0.340799 0.000000 0.659201 Pd\n0.000000 0.000000 0.000000 Pd\n0.659201 0.340799 0.000000 Pd\n","nsites":23,"nelements":3,"elements":["Pr","Cd","Pd"],"chemical_system":"Cd-Pd-Pr","density":9.107177324643834,"density_atomic":0.04709369749906419,"volume":488.38806934743315,"volume_molar":12.787572604847318,"formula_full":"Pr6 Cd4 Pd13","formula_reduced":"Pr6Cd4Pd13","formula_anonymous":"A4B6C13","energy":-116.5606662,"energy_per_atom":-5.067855052173913,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-116.5606662,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0497371,"is_theoretical":false,"updated_at":"2021-11-28T01:35:44.460000Z","spacegroup":229},{"id":"mp-1201222","created_at":"2022-09-04T14:44:28.878049Z","structure_string":"B16 Pb24 O52\n1.0\n7.601655 0.000000 0.000000\n0.000000 12.968612 0.000000\n0.000000 0.000000 14.206462\nB Pb O\n16 24 52\ndirect\n0.875904 0.612681 0.062197 B\n0.624096 0.887319 0.562197 B\n0.124096 0.112681 0.937803 B\n0.375904 0.387319 0.437803 B\n0.124096 0.387319 0.937803 B\n0.375904 0.112681 0.437803 B\n0.875904 0.887319 0.062197 B\n0.624096 0.612681 0.562197 B\n0.028292 0.750000 0.970920 B\n0.471708 0.750000 0.470920 B\n0.971708 0.250000 0.029080 B\n0.528292 0.250000 0.529080 B\n0.714981 0.750000 0.972896 B\n0.785019 0.750000 0.472896 B\n0.285019 0.250000 0.027104 B\n0.214981 0.250000 0.527104 B\n0.641969 0.399469 0.063069 Pb\n0.858031 0.100531 0.563069 Pb\n0.358031 0.899469 0.936931 Pb\n0.141969 0.600531 0.436931 Pb\n0.358031 0.600531 0.936931 Pb\n0.141969 0.899469 0.436931 Pb\n0.641969 0.100531 0.063069 Pb\n0.858031 0.399469 0.563069 Pb\n0.145151 0.489788 0.203492 Pb\n0.354849 0.010212 0.703492 Pb\n0.854849 0.989788 0.796508 Pb\n0.645151 0.510212 0.296508 Pb\n0.854849 0.510212 0.796508 Pb\n0.645151 0.989788 0.296508 Pb\n0.145151 0.010212 0.203492 Pb\n0.354849 0.489788 0.703492 Pb\n0.122364 0.750000 0.743822 Pb\n0.377636 0.750000 0.243822 Pb\n0.877636 0.250000 0.256178 Pb\n0.622364 0.250000 0.756178 Pb\n0.602943 0.750000 0.757653 Pb\n0.897057 0.750000 0.257653 Pb\n0.397057 0.250000 0.242347 Pb\n0.102943 0.250000 0.742347 Pb\n0.878519 0.528338 0.122237 O\n0.621481 0.971662 0.622237 O\n0.121481 0.028338 0.877763 O\n0.378519 0.471662 0.377763 O\n0.121481 0.471662 0.877763 O\n0.378519 0.028338 0.377763 O\n0.878519 0.971662 0.122237 O\n0.621481 0.528338 0.622237 O\n0.034119 0.656129 0.033355 O\n0.465881 0.843871 0.533355 O\n0.965881 0.156129 0.966645 O\n0.534119 0.343871 0.466645 O\n0.965881 0.343871 0.966645 O\n0.534119 0.156129 0.466645 O\n0.034119 0.843871 0.033355 O\n0.465881 0.656129 0.533355 O\n0.717869 0.654346 0.033518 O\n0.782131 0.845654 0.533518 O\n0.282131 0.154346 0.966482 O\n0.217869 0.345654 0.466482 O\n0.282131 0.345654 0.966482 O\n0.217869 0.154346 0.466482 O\n0.717869 0.845654 0.033518 O\n0.782131 0.654346 0.533518 O\n0.183377 0.750000 0.910883 O\n0.316623 0.750000 0.410883 O\n0.816623 0.250000 0.089117 O\n0.683377 0.250000 0.589117 O\n0.871191 0.750000 0.910949 O\n0.628809 0.750000 0.410949 O\n0.128809 0.250000 0.089051 O\n0.371191 0.250000 0.589051 O\n0.555165 0.750000 0.917231 O\n0.944835 0.750000 0.417231 O\n0.444835 0.250000 0.082769 O\n0.055165 0.250000 0.582769 O\n0.624283 0.359335 0.227825 O\n0.875717 0.140665 0.727825 O\n0.375717 0.859335 0.772175 O\n0.124283 0.640665 0.272175 O\n0.375717 0.640665 0.772175 O\n0.124283 0.859335 0.272175 O\n0.624283 0.140665 0.227825 O\n0.875717 0.359335 0.727825 O\n0.061633 0.565092 0.693207 O\n0.438367 0.934908 0.193207 O\n0.938367 0.065092 0.306793 O\n0.561633 0.434908 0.806793 O\n0.938367 0.434908 0.306793 O\n0.561633 0.065092 0.806793 O\n0.061633 0.934908 0.693207 O\n0.438367 0.565092 0.193207 O\n","nsites":92,"nelements":3,"elements":["B","Pb","O"],"chemical_system":"B-O-Pb","density":7.0875948095082375,"density_atomic":0.06569014809541189,"volume":1400.514425182514,"volume_molar":9.167494570499553,"formula_full":"B16 Pb24 O52","formula_reduced":"B4Pb6O13","formula_anonymous":"A4B6C13","energy":-637.9440493300001,"energy_per_atom":-6.934174449239132,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-602.22004933,"band_gap":0.0054000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0010318,"is_theoretical":false,"updated_at":"2021-11-28T01:36:45.089000Z","spacegroup":62},{"id":"mp-1331408","created_at":"2022-09-04T14:43:43.937008Z","structure_string":"Na8 Fe12 O26\n1.0\n-2.635752 5.424470 9.374929\n2.635752 -5.424470 9.374929\n2.635752 5.424470 -9.374929\nNa Fe O\n8 12 26\ndirect\n0.513209 0.665197 0.869925 Na\n0.709763 0.830542 0.878209 Na\n0.952333 0.330542 0.620779 Na\n0.795272 0.165197 0.651988 Na\n0.204728 0.856716 0.369925 Na\n0.047667 0.668446 0.378209 Na\n0.290237 0.168446 0.120779 Na\n0.486791 0.356716 0.151988 Na\n0.589825 0.039656 0.712054 Fe\n0.616636 0.239818 0.377411 Fe\n0.845220 0.443813 0.398913 Fe\n0.044900 0.943813 0.098593 Fe\n0.862407 0.739818 0.123182 Fe\n0.672398 0.622229 0.212054 Fe\n0.327602 0.539656 0.949831 Fe\n0.137593 0.260775 0.877411 Fe\n0.955100 0.053694 0.898913 Fe\n0.154780 0.553694 0.598593 Fe\n0.383364 0.760775 0.623182 Fe\n0.410175 0.122229 0.449831 Fe\n0.499047 0.811438 0.316212 O\n0.495226 0.311438 0.812392 O\n0.507005 0.858819 0.636042 O\n0.687552 0.371459 0.138220 O\n0.497098 0.003212 0.004228 O\n0.743133 0.339509 0.382996 O\n0.875814 0.840903 0.815845 O\n0.733997 0.979576 0.244399 O\n0.735177 0.479576 0.745579 O\n0.025058 0.340903 0.465089 O\n0.956512 0.839509 0.096375 O\n0.777223 0.629037 0.136042 O\n0.766761 0.950667 0.638220 O\n0.998984 0.503212 0.006115 O\n0.001016 0.007131 0.504228 O\n0.233239 0.871459 0.183907 O\n0.222777 0.358819 0.851814 O\n0.043488 0.139863 0.882996 O\n0.974942 0.440031 0.315845 O\n0.264823 0.010402 0.744399 O\n0.266003 0.510402 0.245579 O\n0.124186 0.940031 0.965089 O\n0.256867 0.639863 0.596375 O\n0.502902 0.507131 0.506115 O\n0.312448 0.450667 0.683907 O\n0.492995 0.129037 0.351814 O\n","nsites":46,"nelements":3,"elements":["Na","Fe","O"],"chemical_system":"Fe-Na-O","density":3.9334853330278623,"density_atomic":0.08579618887349143,"volume":536.154351422627,"volume_molar":7.019123855116447,"formula_full":"Na8 Fe12 O26","formula_reduced":"Na4Fe6O13","formula_anonymous":"A4B6C13","energy":-309.95999365,"energy_per_atom":-6.7382607315217395,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-265.02599365,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":54.2190697,"is_theoretical":true,"updated_at":"2021-11-28T01:36:13.917000Z","spacegroup":9},{"id":"mp-579058","created_at":"2022-09-04T14:43:40.305232Z","structure_string":"Cs8 Tc12 S26\n1.0\n8.667107 5.104028 0.000000\n-8.667107 5.104028 0.000000\n0.000000 2.538678 13.700514\nCs Tc S\n8 12 26\ndirect\n0.340111 0.086728 0.088590 Cs\n0.086728 0.340111 0.588590 Cs\n0.913272 0.659889 0.411410 Cs\n0.272850 0.316096 0.288698 Cs\n0.683904 0.727150 0.211302 Cs\n0.659889 0.913272 0.911410 Cs\n0.316096 0.272850 0.788698 Cs\n0.727150 0.683904 0.711302 Cs\n0.312287 0.996461 0.521315 Tc\n0.996461 0.312287 0.021315 Tc\n0.153274 0.564757 0.891495 Tc\n0.149009 0.581666 0.078854 Tc\n0.846726 0.435243 0.108505 Tc\n0.850991 0.418334 0.921146 Tc\n0.687713 0.003539 0.478685 Tc\n0.435243 0.846726 0.608505 Tc\n0.003539 0.687713 0.978685 Tc\n0.581666 0.149009 0.578854 Tc\n0.418334 0.850991 0.421146 Tc\n0.564757 0.153274 0.391495 Tc\n0.274930 0.462273 0.994768 S\n0.008322 0.655781 0.809604 S\n0.358662 0.641338 0.750000 S\n0.725070 0.537727 0.005232 S\n0.003343 0.688468 0.150777 S\n0.641338 0.358662 0.250000 S\n0.655781 0.008322 0.309604 S\n0.803665 0.279001 0.452074 S\n0.196335 0.720999 0.547926 S\n0.279752 0.645285 0.325389 S\n0.978636 0.048228 0.060653 S\n0.537727 0.725070 0.505232 S\n0.991678 0.344219 0.190396 S\n0.021364 0.951772 0.939347 S\n0.996657 0.311532 0.849223 S\n0.645285 0.279752 0.825389 S\n0.688468 0.003343 0.650777 S\n0.951772 0.021364 0.439347 S\n0.344219 0.991678 0.690396 S\n0.720999 0.196335 0.047926 S\n0.462273 0.274930 0.494768 S\n0.048228 0.978636 0.560653 S\n0.279001 0.803665 0.952074 S\n0.720248 0.354715 0.674611 S\n0.311532 0.996657 0.349223 S\n0.354715 0.720248 0.174611 S\n","nsites":46,"nelements":3,"elements":["Cs","Tc","S"],"chemical_system":"Cs-S-Tc","density":4.209671555151104,"density_atomic":0.03794929994338816,"volume":1212.143572308888,"volume_molar":15.868911334289917,"formula_full":"Cs8 Tc12 S26","formula_reduced":"Cs4Tc6S13","formula_anonymous":"A4B6C13","energy":-289.77435497,"energy_per_atom":-6.299442499347826,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-276.69635497,"band_gap":0.9717000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013926,"is_theoretical":false,"updated_at":"2021-11-28T01:36:22.942000Z","spacegroup":15},{"id":"mp-652494","created_at":"2022-09-04T14:42:04.418150Z","structure_string":"Cs8 Re12 S26\n1.0\n8.671217 5.063493 0.000000\n-8.671217 5.063493 0.000000\n0.000000 2.596131 13.673683\nCs Re S\n8 12 26\ndirect\n0.095384 0.343720 0.586715 Cs\n0.904616 0.656280 0.413285 Cs\n0.656280 0.904616 0.913285 Cs\n0.343720 0.095384 0.086715 Cs\n0.725747 0.683678 0.715440 Cs\n0.683678 0.725747 0.215440 Cs\n0.316322 0.274253 0.784560 Cs\n0.274253 0.316322 0.284560 Cs\n0.996339 0.310512 0.022903 Re\n0.689488 0.003661 0.477097 Re\n0.154512 0.564915 0.890665 Re\n0.415024 0.848373 0.421343 Re\n0.564915 0.154512 0.390665 Re\n0.435085 0.845488 0.609335 Re\n0.845488 0.435085 0.109335 Re\n0.151627 0.584976 0.078657 Re\n0.848373 0.415024 0.921343 Re\n0.310512 0.996339 0.522903 Re\n0.584976 0.151627 0.578657 Re\n0.003661 0.689488 0.977097 Re\n0.724670 0.357721 0.674347 S\n0.639263 0.360737 0.250000 S\n0.952107 0.020194 0.437723 S\n0.278768 0.464375 0.994893 S\n0.004724 0.692453 0.150749 S\n0.535625 0.721232 0.505107 S\n0.357721 0.724670 0.174347 S\n0.995276 0.307547 0.849251 S\n0.692453 0.004724 0.650749 S\n0.464375 0.278768 0.494893 S\n0.020194 0.952107 0.937723 S\n0.809683 0.282425 0.448927 S\n0.190317 0.717575 0.551073 S\n0.275330 0.642279 0.325653 S\n0.307547 0.995276 0.349251 S\n0.047893 0.979806 0.562277 S\n0.642279 0.275330 0.825653 S\n0.991713 0.345460 0.193053 S\n0.345460 0.991713 0.693053 S\n0.721232 0.535625 0.005107 S\n0.360737 0.639263 0.750000 S\n0.008287 0.654540 0.806947 S\n0.654540 0.008287 0.306947 S\n0.717575 0.190317 0.051073 S\n0.979806 0.047893 0.062277 S\n0.282425 0.809683 0.948927 S\n","nsites":46,"nelements":3,"elements":["Cs","Re","S"],"chemical_system":"Cs-Re-S","density":5.713502512669078,"density_atomic":0.03830999188906879,"volume":1200.7311338827362,"volume_molar":15.71950413729618,"formula_full":"Cs8 Re12 S26","formula_reduced":"Cs4Re6S13","formula_anonymous":"A4B6C13","energy":-312.44651784,"energy_per_atom":-6.792315605217391,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-299.36851784,"band_gap":1.2285999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024002,"is_theoretical":false,"updated_at":"2021-11-28T01:35:34.442000Z","spacegroup":15},{"id":"mp-1211780","created_at":"2022-09-04T14:42:51.139445Z","structure_string":"K6 Na4 Tl13\n1.0\n-5.919420 5.919420 5.919420\n5.919420 -5.919420 5.919420\n5.919420 5.919420 -5.919420\nK Na Tl\n6 4 13\ndirect\n0.827891 0.327891 0.500000 K\n0.172109 0.672109 0.500000 K\n0.327891 0.500000 0.827891 K\n0.672109 0.500000 0.172109 K\n0.500000 0.827891 0.327891 K\n0.500000 0.172109 0.672109 K\n0.500000 0.500000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.858469 0.758926 0.617395 Tl\n0.141531 0.241074 0.382605 Tl\n0.141531 0.758926 0.900457 Tl\n0.858469 0.241074 0.099543 Tl\n0.758926 0.617395 0.858469 Tl\n0.241074 0.382605 0.141531 Tl\n0.758926 0.900457 0.141531 Tl\n0.241074 0.099543 0.858469 Tl\n0.617395 0.858469 0.758926 Tl\n0.382605 0.141531 0.241074 Tl\n0.099543 0.858469 0.241074 Tl\n0.900457 0.141531 0.758926 Tl\n0.000000 0.000000 0.000000 Tl\n","nsites":23,"nelements":3,"elements":["K","Na","Tl"],"chemical_system":"K-Na-Tl","density":5.971484472990231,"density_atomic":0.027722371439320517,"volume":829.6548529530754,"volume_molar":21.723036116089222,"formula_full":"K6 Na4 Tl13","formula_reduced":"K6Na4Tl13","formula_anonymous":"A4B6C13","energy":-45.51189623,"energy_per_atom":-1.9787780969565216,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.51189623,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.322232,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.645000Z","spacegroup":204},{"id":"mp-7531","created_at":"2022-09-04T14:47:14.941952Z","structure_string":"Ca4 Al6 O13\n1.0\n-4.437452 4.437452 4.437452\n4.437452 -4.437452 4.437452\n4.437452 4.437452 -4.437452\nCa Al O\n4 6 13\ndirect\n0.000000 0.692218 0.000000 Ca\n0.692218 0.000000 0.000000 Ca\n0.000000 0.000000 0.692218 Ca\n0.307782 0.307782 0.307782 Ca\n0.750000 0.250000 0.500000 Al\n0.750000 0.500000 0.250000 Al\n0.250000 0.500000 0.750000 Al\n0.500000 0.750000 0.250000 Al\n0.500000 0.250000 0.750000 Al\n0.250000 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 O\n0.549193 0.278963 0.549193 O\n0.721037 0.270230 0.270230 O\n0.270230 0.270230 0.721037 O\n0.729770 0.450807 0.000000 O\n0.000000 0.450807 0.729770 O\n0.000000 0.729770 0.450807 O\n0.278963 0.549193 0.549193 O\n0.549193 0.549193 0.278963 O\n0.450807 0.729770 0.000000 O\n0.270230 0.721037 0.270230 O\n0.450807 0.000000 0.729770 O\n0.729770 0.000000 0.450807 O\n","nsites":23,"nelements":3,"elements":["Ca","Al","O"],"chemical_system":"Al-Ca-O","density":2.518966804328322,"density_atomic":0.0658062040437999,"volume":349.51111881018767,"volume_molar":9.151326759391452,"formula_full":"Ca4 Al6 O13","formula_reduced":"Ca4Al6O13","formula_anonymous":"A4B6C13","energy":-173.87208351,"energy_per_atom":-7.559655804782609,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-164.94108351,"band_gap":3.9418,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0019938,"is_theoretical":false,"updated_at":"2021-11-28T01:38:04.394000Z","spacegroup":217},{"id":"mp-1218543","created_at":"2022-09-04T14:46:57.573960Z","structure_string":"Sr6 Co4 O13\n1.0\n2.743152 -10.112495 0.000000\n2.743152 10.112495 0.000000\n0.000000 0.000000 5.492421\nSr Co O\n6 4 13\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.179341 0.820659 0.500000 Sr\n0.681582 0.318418 0.000000 Sr\n0.318418 0.681582 0.000000 Sr\n0.820659 0.179341 0.500000 Sr\n0.393300 0.606700 0.500000 Co\n0.906270 0.093730 0.000000 Co\n0.093730 0.906270 0.000000 Co\n0.606700 0.393300 0.500000 Co\n0.648817 0.828841 0.739113 O\n0.171159 0.351183 0.260887 O\n0.828841 0.648817 0.739113 O\n0.351183 0.171159 0.260887 O\n0.171159 0.351183 0.739113 O\n0.648817 0.828841 0.260887 O\n0.351183 0.171159 0.739113 O\n0.828841 0.648817 0.260887 O\n0.302088 0.697912 0.500000 O\n0.808129 0.191871 0.000000 O\n0.191871 0.808129 0.000000 O\n0.697912 0.302088 0.500000 O\n0.000000 0.000000 0.000000 O\n","nsites":23,"nelements":3,"elements":["Sr","Co","O"],"chemical_system":"Co-O-Sr","density":5.282874043817106,"density_atomic":0.07547894628995454,"volume":304.72073512585666,"volume_molar":7.9785702583416755,"formula_full":"Sr6 Co4 O13","formula_reduced":"Sr6Co4O13","formula_anonymous":"A4B6C13","energy":-154.77448007,"energy_per_atom":-6.729325220434783,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-139.29148007,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.008383,"is_theoretical":true,"updated_at":"2021-11-28T01:37:46.151000Z","spacegroup":65}]}