{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nelements&page=90","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nelements&page=88","results":[{"id":"jvasp-98250","created_at":"2022-09-04T14:36:22.241073Z","updated_at":"2022-09-04T14:36:22.241100Z","structure_string":"In3 H24 C12 N3 O30\n1.0\n9.024378 0.000000 -0.000000\n-4.512189 7.815340 -0.000000\n0.000000 -0.000000 11.498846\nIn H C N O\n3 24 12 3 30\ndirect\n0.500000 0.000000 0.000000 In\n-0.000000 0.500000 0.666667 In\n0.500000 0.500000 0.333333 In\n0.640942 0.899801 0.487593 H\n0.103716 0.025672 0.385761 H\n0.896284 0.974328 0.385761 H\n0.078045 0.974328 0.614239 H\n0.103716 0.078045 0.947572 H\n0.741141 0.100199 0.512408 H\n0.078045 0.103716 0.719096 H\n0.359058 0.100199 0.487593 H\n0.359058 0.258859 0.845741 H\n0.974328 0.896284 0.280905 H\n0.741141 0.640942 0.820926 H\n0.640942 0.741141 0.845741 H\n0.899802 0.258859 0.154259 H\n0.100199 0.359058 0.179075 H\n0.921955 0.896284 0.719096 H\n0.100199 0.741141 0.154259 H\n0.025672 0.921955 0.052428 H\n0.974328 0.078045 0.052428 H\n0.025672 0.103716 0.280905 H\n0.258859 0.359058 0.820926 H\n0.921956 0.025672 0.614239 H\n0.258859 0.899801 0.512408 H\n0.896284 0.921955 0.947572 H\n0.899802 0.640942 0.179075 H\n0.577358 0.788679 0.166667 C\n0.689436 0.378872 0.500000 C\n0.422642 0.211321 0.166667 C\n0.621128 0.310564 0.166667 C\n0.310564 0.689436 0.833333 C\n0.689436 0.310564 0.833333 C\n0.788679 0.211321 0.833333 C\n0.788679 0.577358 0.500000 C\n0.378872 0.689436 0.166667 C\n0.310564 0.621128 0.500000 C\n0.211321 0.788679 0.833333 C\n0.211321 0.422642 0.500000 C\n0.000000 0.000000 0.666667 N\n0.000000 0.000000 0.333333 N\n0.000000 0.000000 0.000000 N\n0.268770 0.346159 0.439037 O\n0.653841 0.922611 0.105704 O\n0.268770 0.922611 0.894297 O\n0.449372 0.693928 0.443454 O\n0.693928 0.449372 0.223213 O\n0.922611 0.268770 0.772370 O\n-0.000000 0.755375 0.166667 O\n0.755444 0.306072 0.556546 O\n0.077389 0.346159 0.560964 O\n0.346159 0.077389 0.105704 O\n0.306072 0.755444 0.110121 O\n0.755444 0.449372 0.776787 O\n0.755375 0.000000 0.500000 O\n0.922611 0.653841 0.560964 O\n0.755375 0.755375 0.833333 O\n0.244625 0.244625 0.833333 O\n0.731230 0.077389 0.894297 O\n0.449372 0.755444 0.889880 O\n-0.000000 0.244625 0.166667 O\n0.731230 0.653841 0.439037 O\n0.244556 0.550628 0.776787 O\n0.550628 0.244556 0.889880 O\n0.244625 0.000000 0.500000 O\n0.346159 0.268770 0.227630 O\n0.550628 0.306072 0.443454 O\n0.077389 0.731230 0.772370 O\n0.244556 0.693928 0.556546 O\n0.653841 0.731230 0.227630 O\n0.693928 0.244556 0.110121 O\n0.306072 0.550628 0.223213 O\n","nsites":72,"nelements":5,"elements":["In","H","C","N","O"],"chemical_system":"C-H-In-N-O","density":2.1187301081617353,"density_atomic":0.08877957961907895,"volume":810.9973071389383,"volume_molar":6.78324991607172,"formula_full":"In3 H24 C12 N3 O30","formula_reduced":"InH8C4NO10","formula_anonymous":"ABC4D8E10","energy_above_hull":3.861466175833333,"spacegroup":180},{"id":"jvasp-26526","created_at":"2022-09-04T14:37:05.149884Z","updated_at":"2022-09-04T14:37:05.149901Z","structure_string":"Ba2 Fe2 S2 O1 F2\n1.0\n4.019145 0.002279 -0.830363\n-0.173833 4.015262 -0.830722\n-0.011514 -0.011502 10.086259\nBa Fe S O F\n2 2 2 1 2\ndirect\n0.335103 0.335108 0.670208 Ba\n0.664887 0.664888 0.329795 Ba\n0.500040 0.999999 0.999998 Fe\n0.999997 0.500017 0.000002 Fe\n0.914558 0.914564 0.829094 S\n0.085430 0.085432 0.170907 S\n0.499994 0.499998 -0.000002 O\n0.750001 0.250001 0.500005 F\n0.249990 0.749995 0.499997 F\n","nsites":9,"nelements":5,"elements":["Ba","Fe","S","O","F"],"chemical_system":"Ba-F-Fe-O-S","density":5.148794833318944,"density_atomic":0.05531761868819541,"volume":162.69680823987764,"volume_molar":10.886478671369678,"formula_full":"Ba2 Fe2 S2 O1 F2","formula_reduced":"Ba2Fe2S2OF2","formula_anonymous":"AB2C2D2E2","energy_above_hull":1.3744507783333333,"spacegroup":139},{"id":"jvasp-103846","created_at":"2022-09-04T14:36:59.005971Z","updated_at":"2022-09-04T14:36:59.005985Z","structure_string":"H5 C7 S1 N1 O1\n1.0\n4.812147 -0.131311 1.997918\n0.914586 4.756842 0.808700\n0.035565 0.165097 7.449648\nH C S N O\n5 7 1 1 1\ndirect\n0.545158 0.634868 0.651694 H\n0.552946 0.350654 0.231300 H\n0.367305 0.134838 0.579047 H\n0.734193 0.857497 0.307864 H\n0.970529 0.088929 0.855155 H\n0.232061 0.288442 0.515449 C\n0.334356 0.404474 0.326643 C\n0.937776 0.360460 0.640449 C\n0.152034 0.608095 0.244408 C\n0.764089 0.579716 0.558394 C\n0.866892 0.700237 0.371101 C\n0.222984 0.682276 0.030749 C\n0.382433 0.936316 0.059204 S\n0.824693 0.240963 0.818246 N\n0.159082 0.616671 0.905503 O\n","nsites":15,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.4703701349584957,"density_atomic":0.08785330813443612,"volume":170.73915961191227,"volume_molar":6.854768349513618,"formula_full":"H5 C7 S1 N1 O1","formula_reduced":"H5C7SNO","formula_anonymous":"ABCD5E7","energy_above_hull":5.349849116666666,"spacegroup":1},{"id":"jvasp-97934","created_at":"2022-09-04T14:36:08.316608Z","updated_at":"2022-09-04T14:36:08.316622Z","structure_string":"K1 Mn1 H24 C14 N8\n1.0\n-4.327790 4.327790 6.055276\n4.327790 -4.327790 6.055276\n4.327790 4.327790 -6.055276\nK Mn H C N\n1 1 24 14 8\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Mn\n0.461635 0.184195 0.385878 H\n0.798317 0.075757 0.614122 H\n0.075757 0.461635 0.277440 H\n0.538365 0.815805 0.614122 H\n0.201683 0.924244 0.385878 H\n0.815805 0.201683 0.277440 H\n0.924244 0.538365 0.722560 H\n0.627654 0.293173 0.673194 H\n0.619979 -0.045540 0.326806 H\n0.293173 0.619979 0.665519 H\n-0.045540 0.627654 0.334481 H\n0.184195 0.798317 0.722560 H\n0.380021 0.045540 0.673194 H\n0.706827 0.380021 0.334481 H\n0.045540 0.372346 0.665519 H\n0.596351 0.433777 0.567341 H\n0.866436 0.029009 0.432659 H\n0.433777 0.866436 0.837427 H\n0.029009 0.596351 0.162573 H\n0.403650 0.566223 0.432659 H\n0.133564 -0.029009 0.567341 H\n0.372347 0.706827 0.326806 H\n0.566223 0.133564 0.162573 H\n-0.029009 0.403649 0.837427 H\n0.403310 0.706269 0.465979 C\n0.062669 0.596690 0.302959 C\n0.596690 0.293731 0.534021 C\n0.759710 0.062669 0.465979 C\n0.240290 0.937331 0.534021 C\n0.293731 0.759710 0.697041 C\n0.706269 0.240290 0.302959 C\n0.134579 0.185033 0.319612 C\n0.865422 0.814967 0.680388 C\n0.814967 0.134579 0.949546 C\n0.185033 0.865422 0.050454 C\n0.163788 0.163788 -0.000000 C\n0.836213 0.836213 -0.000000 C\n0.937331 0.403310 0.697041 C\n0.750000 0.250000 0.500000 N\n0.739270 0.739270 -0.000000 N\n0.260730 0.260730 0.000000 N\n0.292013 0.781802 0.073814 N\n0.707988 0.218198 0.926186 N\n0.218198 0.292012 0.510210 N\n0.781802 0.707988 0.489790 N\n0.250000 0.750000 0.500000 N\n","nsites":48,"nelements":5,"elements":["K","Mn","H","C","N"],"chemical_system":"C-H-K-Mn-N","density":1.4583950068850353,"density_atomic":0.10580713253539828,"volume":453.6556170628797,"volume_molar":5.691620796911082,"formula_full":"K1 Mn1 H24 C14 N8","formula_reduced":"KMnH24(C7N4)2","formula_anonymous":"ABC8D14E24","energy_above_hull":5.177359192528736,"spacegroup":87},{"id":"jvasp-86950","created_at":"2022-09-04T14:35:41.605720Z","updated_at":"2022-09-04T14:35:41.605754Z","structure_string":"Ba2 Ca1 Cu2 Hg1 O6\n1.0\n3.894191 0.000000 0.000000\n-0.000000 3.894191 0.000000\n0.000000 0.000000 12.926970\nBa Ca Cu Hg O\n2 1 2 1 6\ndirect\n0.500000 0.500000 0.229064 Ba\n0.500000 0.500000 0.770936 Ba\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.385581 Cu\n0.000000 0.000000 0.614419 Cu\n0.000000 0.000000 0.000000 Hg\n0.000000 0.000000 0.844619 O\n0.000000 0.000000 0.155381 O\n0.500000 0.000000 0.620824 O\n0.000000 0.500000 0.620824 O\n0.500000 0.000000 0.379176 O\n0.000000 0.500000 0.379176 O\n","nsites":12,"nelements":5,"elements":["Ba","Ca","Cu","Hg","O"],"chemical_system":"Ba-Ca-Cu-Hg-O","density":6.254832208971571,"density_atomic":0.06121389407130606,"volume":196.03392631779957,"volume_molar":9.837865816843813,"formula_full":"Ba2 Ca1 Cu2 Hg1 O6","formula_reduced":"Ba2CaCu2HgO6","formula_anonymous":"ABC2D2E6","energy_above_hull":0.9647990716666666,"spacegroup":123},{"id":"jvasp-99062","created_at":"2022-09-04T14:35:56.695854Z","updated_at":"2022-09-04T14:35:56.695882Z","structure_string":"Cu6 Bi2 Se4 Cl2 O16\n1.0\n6.390520 0.000000 0.000000\n-0.000000 7.214070 0.000000\n0.000000 0.000000 9.728592\nCu Bi Se Cl O\n6 2 4 2 16\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.750000 0.207424 0.750000 Cu\n0.250000 0.792576 0.250000 Cu\n0.750000 0.745169 0.750000 Bi\n0.250000 0.254831 0.250000 Bi\n0.250000 0.601184 0.941925 Se\n0.750000 0.398816 0.058075 Se\n0.750000 0.398816 0.441925 Se\n0.250000 0.601184 0.558075 Se\n0.750000 0.844259 0.250000 Cl\n0.250000 0.155741 0.750000 Cl\n0.038948 0.750124 0.583913 O\n0.250000 0.583611 0.118048 O\n0.750000 0.416389 0.881952 O\n0.961052 0.249876 0.083913 O\n0.461052 0.750124 0.916087 O\n0.538948 0.249876 0.416087 O\n0.038948 0.750124 0.916087 O\n0.750000 0.009501 0.886965 O\n0.461052 0.750124 0.583913 O\n0.961052 0.249876 0.416087 O\n0.250000 0.990499 0.386965 O\n0.750000 0.009501 0.613034 O\n0.250000 0.990499 0.113034 O\n0.750000 0.416389 0.618048 O\n0.538948 0.249876 0.083913 O\n0.250000 0.583611 0.381952 O\n","nsites":30,"nelements":5,"elements":["Cu","Bi","Se","Cl","O"],"chemical_system":"Bi-Cl-Cu-O-Se","density":5.338751981284012,"density_atomic":0.06688900166479891,"volume":448.50422720224026,"volume_molar":9.00318529222304,"formula_full":"Cu6 Bi2 Se4 Cl2 O16","formula_reduced":"Cu3BiSe2ClO8","formula_anonymous":"ABC2D3E8","energy_above_hull":1.7461709633888889,"spacegroup":59},{"id":"jvasp-57304","created_at":"2022-09-04T14:36:38.635921Z","updated_at":"2022-09-04T14:36:38.635949Z","structure_string":"Sr3 Fe2 Cu2 Se2 O5\n1.0\n3.894940 0.000000 -0.558208\n-0.080000 3.894117 -0.558208\n0.005939 0.006063 13.909169\nSr Fe Cu Se O\n3 2 2 2 5\ndirect\n0.364867 0.364866 0.729733 Sr\n0.500000 0.500000 -0.000000 Sr\n0.635134 0.635134 0.270267 Sr\n0.930240 0.930239 0.860479 Fe\n0.069760 0.069760 0.139521 Fe\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.807873 0.807873 0.615747 Se\n0.192127 0.192127 0.384253 Se\n0.576774 0.076773 0.153546 O\n0.000000 0.000000 0.000000 O\n0.923227 0.423226 0.846454 O\n0.076774 0.576774 0.153546 O\n0.423227 0.923226 0.846454 O\n","nsites":14,"nelements":5,"elements":["Sr","Fe","Cu","Se","O"],"chemical_system":"Cu-Fe-O-Se-Sr","density":5.820451910570458,"density_atomic":0.06635334433916838,"volume":210.99162580921785,"volume_molar":9.075866212888277,"formula_full":"Sr3 Fe2 Cu2 Se2 O5","formula_reduced":"Sr3Fe2Cu2Se2O5","formula_anonymous":"A2B2C2D3E5","energy_above_hull":1.5643267902380953,"spacegroup":139},{"id":"jvasp-88338","created_at":"2022-09-04T14:35:42.196510Z","updated_at":"2022-09-04T14:35:42.196536Z","structure_string":"P4 H32 C8 N4 O16\n1.0\n-5.287343 5.287343 5.063998\n5.287343 -5.287343 5.063998\n5.287343 5.287343 -5.063998\nP H C N O\n4 32 8 4 16\ndirect\n0.946682 0.311270 0.745488 P\n0.565782 0.201194 0.254511 P\n0.798806 0.053318 0.364588 P\n0.688730 0.434218 0.635411 P\n0.760981 0.642234 0.159701 H\n0.482533 0.601281 0.840299 H\n0.486117 0.502861 0.304267 H\n0.198594 0.181849 0.695733 H\n0.818151 0.513883 0.016745 H\n0.497139 0.801405 0.983255 H\n0.130791 0.035702 0.879276 H\n0.398718 0.239019 0.881252 H\n0.964298 0.843575 0.095089 H\n0.089716 0.415632 0.170617 H\n0.245016 0.919098 0.829383 H\n0.080902 0.910284 0.325917 H\n0.584368 0.754984 0.674083 H\n0.156425 0.251514 0.120723 H\n0.357766 0.517467 0.118747 H\n0.748486 0.869209 0.904911 H\n0.251777 0.768370 0.265787 H\n0.548101 0.793941 0.394190 H\n0.399750 0.153910 0.605809 H\n0.846089 0.451899 0.245840 H\n0.206059 0.600249 0.754160 H\n0.316819 0.361038 0.446921 H\n0.502583 0.985989 0.734212 H\n0.130103 0.683181 0.044220 H\n0.914117 0.869897 0.553078 H\n0.086198 0.267119 0.348318 H\n0.918800 0.737880 0.651681 H\n0.262120 0.913802 0.180919 H\n0.732881 0.081200 0.819080 H\n0.231630 0.497417 0.483406 H\n0.014011 0.748223 0.516593 H\n0.638961 0.085883 0.955780 H\n0.612742 0.832384 0.810852 C\n0.021532 0.801889 0.189147 C\n0.198111 0.387258 0.219642 C\n0.167616 0.978468 0.780358 C\n0.873421 0.623790 0.152535 C\n0.279114 0.126579 0.750368 C\n0.376211 0.528745 0.249631 C\n0.471255 0.720885 0.847465 C\n0.210754 0.380046 0.385837 N\n0.994211 0.824917 0.614162 N\n0.175083 0.789246 0.169294 N\n0.619953 0.005789 0.830706 N\n0.336474 0.053450 0.628487 O\n0.424963 0.707988 0.371513 O\n0.827961 0.632686 0.757237 O\n0.875448 0.070722 0.242762 O\n0.367314 0.124552 0.195274 O\n0.929278 0.172039 0.804725 O\n0.495868 0.356723 0.602636 O\n0.755561 0.308755 0.696640 O\n0.643277 0.245914 0.139145 O\n0.106768 0.504131 0.860854 O\n0.612114 0.058921 0.303359 O\n0.691245 0.387886 0.446806 O\n0.941079 0.244439 0.553193 O\n0.946550 0.575037 0.283023 O\n0.754087 0.893232 0.397363 O\n0.292012 0.663525 0.716976 O\n","nsites":64,"nelements":5,"elements":["P","H","C","N","O"],"chemical_system":"C-H-N-O-P","density":1.6546024486005346,"density_atomic":0.11301900707877015,"volume":566.2764313209221,"volume_molar":5.3284318413829155,"formula_full":"P4 H32 C8 N4 O16","formula_reduced":"PH8C2NO4","formula_anonymous":"ABC2D4E8","energy_above_hull":3.879463296875,"spacegroup":82},{"id":"jvasp-52408","created_at":"2022-09-04T14:35:42.512729Z","updated_at":"2022-09-04T14:35:42.512745Z","structure_string":"Na1 Cu2 H2 Se2 O10\n1.0\n4.091156 3.155767 -2.355377\n-4.091156 3.155767 2.355377\n-0.314299 0.000000 7.804134\nNa Cu H Se O\n1 2 2 2 10\ndirect\n0.500000 0.500000 0.500000 Na\n-0.000000 0.500000 0.000000 Cu\n0.500000 -0.000000 -0.000000 Cu\n0.291997 0.708004 0.801196 H\n0.708004 0.291997 0.198804 H\n0.912795 0.087206 0.690358 Se\n0.087206 0.912795 0.309641 Se\n0.183201 0.255019 0.256899 O\n0.744982 0.816800 0.256899 O\n0.816800 0.744982 0.743100 O\n0.255019 0.183201 0.743100 O\n0.180223 0.819778 0.178635 O\n0.765757 0.234244 0.448227 O\n0.329821 0.670180 0.947751 O\n0.819778 0.180223 0.821365 O\n0.234243 0.765757 0.551773 O\n0.670180 0.329821 0.052248 O\n","nsites":17,"nelements":5,"elements":["Na","Cu","H","Se","O"],"chemical_system":"Cu-H-Na-O-Se","density":3.9649738073051632,"density_atomic":0.08636375655290204,"volume":196.84183132523498,"volume_molar":6.972995386451426,"formula_full":"Na1 Cu2 H2 Se2 O10","formula_reduced":"NaCu2H2(SeO5)2","formula_anonymous":"AB2C2D2E10","energy_above_hull":2.196306566666667,"spacegroup":12},{"id":"jvasp-101832","created_at":"2022-09-04T14:36:57.295228Z","updated_at":"2022-09-04T14:36:57.295247Z","structure_string":"H10 C10 S2 N2 O2\n1.0\n5.442117 -0.076457 2.128799\n0.106997 6.253100 2.644387\n0.154999 -0.237552 7.722740\nH C S N O\n10 10 2 2 2\ndirect\n0.880621 0.171396 0.010330 H\n0.880624 0.671396 0.510331 H\n0.707855 0.728881 0.848282 H\n0.707854 0.228881 0.348281 H\n0.420553 0.964787 0.060289 H\n0.420551 0.464788 0.560288 H\n0.013152 0.429325 0.875374 H\n0.013153 0.929326 0.375374 H\n0.724986 0.257489 0.723682 H\n0.724986 0.757485 0.223684 H\n0.949138 0.792868 0.361863 C\n0.949137 0.292868 0.861862 C\n0.422756 0.989903 0.520325 C\n0.422756 0.489904 0.020324 C\n0.156009 0.211618 0.718714 C\n0.530086 0.680441 0.966411 C\n0.530085 0.180441 0.466411 C\n0.374004 0.306518 0.580105 C\n0.374005 0.806518 0.080106 C\n0.156010 0.711618 0.218714 C\n0.135017 0.461253 0.209410 S\n0.135018 0.961252 0.709411 S\n0.740662 0.363886 0.785259 N\n0.740663 0.863884 0.285261 N\n0.502889 0.321177 0.957004 O\n0.502890 0.821176 0.457007 O\n","nsites":26,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.5988667075566507,"density_atomic":0.098433133234129,"volume":264.138701530078,"volume_molar":6.118001695299065,"formula_full":"H10 C10 S2 N2 O2","formula_reduced":"H5C5SNO","formula_anonymous":"ABCD5E5","energy_above_hull":4.964115903846154,"spacegroup":1},{"id":"jvasp-104132","created_at":"2022-09-04T14:36:57.659131Z","updated_at":"2022-09-04T14:36:57.659161Z","structure_string":"H10 C10 S2 N2 O2\n1.0\n3.784185 -0.024744 0.020346\n1.344070 6.869424 2.058200\n-0.083174 -0.095655 9.742997\nH C S N O\n10 10 2 2 2\ndirect\n0.679983 0.206358 0.782035 H\n0.679952 0.706370 0.282033 H\n0.362029 0.648543 0.558886 H\n0.362047 0.148546 0.058889 H\n0.295075 0.924794 0.686558 H\n0.295071 0.424800 0.186559 H\n0.572264 0.313792 0.560737 H\n0.572244 0.813787 0.060734 H\n0.129817 0.079026 0.830730 H\n0.129781 0.579029 0.330727 H\n0.961289 0.223782 0.789809 C\n0.961262 0.723787 0.289806 C\n0.015375 0.346534 0.883514 C\n0.015360 0.846537 0.383512 C\n0.940237 0.608509 0.006151 C\n0.204981 0.793134 0.513113 C\n0.204992 0.293135 0.013115 C\n0.163458 0.441635 0.083739 C\n0.163459 0.941633 0.583738 C\n0.940243 0.108510 0.506152 C\n0.796232 0.086978 0.342709 S\n0.796236 0.586973 0.842708 S\n0.835103 0.291074 0.531670 N\n0.835084 0.791074 0.031668 N\n0.054511 0.320102 0.643047 O\n0.054486 0.820107 0.143044 O\n","nsites":26,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.6603786663865274,"density_atomic":0.10222007482868277,"volume":254.35316931214422,"volume_molar":5.891348416730172,"formula_full":"H10 C10 S2 N2 O2","formula_reduced":"H5C5SNO","formula_anonymous":"ABCD5E5","energy_above_hull":4.964055903846154,"spacegroup":1},{"id":"jvasp-52410","created_at":"2022-09-04T14:37:04.580996Z","updated_at":"2022-09-04T14:37:04.581013Z","structure_string":"K1 Al1 P4 H4 O14\n1.0\n4.912652 -0.026569 -0.018041\n2.036453 7.155597 -0.055562\n0.828267 0.866032 7.629146\nK Al P H O\n1 1 4 4 14\ndirect\n0.000000 0.000000 0.000000 K\n-0.000000 0.500000 0.000000 Al\n0.420774 0.608036 0.228959 P\n0.579226 0.391964 0.771042 P\n0.315593 0.235079 0.317212 P\n0.684406 0.764920 0.682789 P\n0.117920 0.786295 0.417797 H\n0.882079 0.213705 0.582204 H\n0.310781 0.003441 0.618445 H\n0.689219 -0.003442 0.381556 H\n0.697716 0.222485 0.661818 O\n0.302283 0.777515 0.338183 O\n0.731608 0.591924 0.184222 O\n0.268391 0.408076 0.815779 O\n0.622839 0.571937 0.642235 O\n0.377161 0.428063 0.357766 O\n0.833964 0.837377 0.518929 O\n0.246222 0.628071 0.072424 O\n0.838323 0.721886 0.849435 O\n0.161676 0.278114 0.150566 O\n0.387165 0.903835 0.719343 O\n0.166036 0.162624 0.481072 O\n0.753777 0.371929 0.927577 O\n0.612834 0.096165 0.280658 O\n","nsites":24,"nelements":5,"elements":["K","Al","P","H","O"],"chemical_system":"Al-H-K-O-P","density":2.581145466205729,"density_atomic":0.08924834370287564,"volume":268.9125534911939,"volume_molar":6.747621871895828,"formula_full":"K1 Al1 P4 H4 O14","formula_reduced":"KAlP4(H2O7)2","formula_anonymous":"ABC4D4E14","energy_above_hull":2.925254241666667,"spacegroup":2}]}