{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=497","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=495","results":[{"id":"jvasp-46381","created_at":"2022-09-04T14:38:09.049859Z","updated_at":"2022-09-04T14:38:09.049885Z","structure_string":"Tm4 Mn4 O14\n1.0\n-0.000000 4.930425 4.930425\n4.930425 0.000000 4.930425\n4.930425 4.930425 0.000000\nTm Mn O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.919560 0.330441 0.919560 O\n0.625001 0.625001 0.625001 O\n0.330441 0.330441 0.919560 O\n0.919560 0.919560 0.330441 O\n0.330441 0.919560 0.330441 O\n0.080441 0.669560 0.080441 O\n0.080441 0.080441 0.669560 O\n0.375000 0.375000 0.375000 O\n0.669560 0.669560 0.080441 O\n0.080441 0.669560 0.669560 O\n0.919560 0.330441 0.330441 O\n0.669560 0.080441 0.080441 O\n0.669560 0.080441 0.669560 O\n0.330441 0.919560 0.919560 O\n","nsites":22,"nelements":3,"elements":["Tm","Mn","O"],"chemical_system":"Mn-O-Tm","density":7.755014441855485,"density_atomic":0.09177821664998233,"volume":239.70829683804098,"volume_molar":6.561623204084298,"formula_full":"Tm4 Mn4 O14","formula_reduced":"Tm2Mn2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.824146134796238,"spacegroup":227},{"id":"jvasp-59268","created_at":"2022-09-04T14:38:09.266006Z","updated_at":"2022-09-04T14:38:09.266033Z","structure_string":"Tm4 Ti4 O14\n1.0\n7.112039 0.000000 0.000000\n3.556019 6.159206 0.000000\n3.556019 2.053069 5.806956\nTm Ti O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Tm\n0.500000 -0.000000 0.500000 Tm\n-0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.500000 0.000000 0.000000 Ti\n-0.000000 0.500000 0.000000 Ti\n-0.000000 -0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.082799 0.082800 0.667201 O\n0.082799 0.667201 0.082800 O\n0.375000 0.375000 0.375000 O\n0.667200 0.667201 0.082800 O\n0.332799 0.332800 0.917201 O\n0.917200 0.332800 0.332800 O\n0.332799 0.917201 0.917201 O\n0.667200 0.082800 0.082800 O\n0.625000 0.625000 0.625000 O\n0.917200 0.917201 0.332800 O\n0.917200 0.332800 0.917201 O\n0.667200 0.082800 0.667201 O\n0.332799 0.917201 0.332800 O\n0.082799 0.667201 0.667201 O\n","nsites":22,"nelements":3,"elements":["Tm","Ti","O"],"chemical_system":"O-Ti-Tm","density":7.123355901560539,"density_atomic":0.08648788687646147,"volume":254.37088122438007,"volume_molar":6.962987508992991,"formula_full":"Tm4 Ti4 O14","formula_reduced":"Tm2Ti2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.667330878787879,"spacegroup":227},{"id":"jvasp-58952","created_at":"2022-09-04T14:38:14.573145Z","updated_at":"2022-09-04T14:38:14.573169Z","structure_string":"Ta6 Te2 I14\n1.0\n3.827042 -6.628630 -0.000000\n3.827042 6.628630 0.000000\n0.000000 -0.000000 14.080255\nTa Te I\n6 2 14\ndirect\n0.130506 0.869494 0.750105 Ta\n0.261012 0.130506 0.250105 Ta\n0.869493 0.738987 0.250105 Ta\n0.130506 0.261012 0.750105 Ta\n0.738987 0.869493 0.750105 Ta\n0.869494 0.130506 0.250105 Ta\n0.000000 0.000000 0.900395 Te\n0.000000 0.000000 0.400395 Te\n0.830582 0.661164 0.618117 I\n0.169418 0.338835 0.118117 I\n0.661164 0.830582 0.118117 I\n0.830582 0.169418 0.618117 I\n0.666667 0.333333 0.144786 I\n0.333333 0.666667 0.644785 I\n0.996470 0.498234 0.859616 I\n0.003530 0.501765 0.359616 I\n0.498234 0.501765 0.359616 I\n0.338835 0.169418 0.618117 I\n0.501765 0.003530 0.859616 I\n0.498234 0.996470 0.359616 I\n0.501765 0.498234 0.859616 I\n0.169418 0.830582 0.118117 I\n","nsites":22,"nelements":3,"elements":["Ta","Te","I"],"chemical_system":"I-Ta-Te","density":7.246611572285583,"density_atomic":0.03079606010219369,"volume":714.377096518034,"volume_molar":19.55490650432594,"formula_full":"Ta6 Te2 I14","formula_reduced":"Ta3TeI7","formula_anonymous":"AB3C7","energy_above_hull":2.028157208333333,"spacegroup":186},{"id":"jvasp-55814","created_at":"2022-09-04T14:38:14.365634Z","updated_at":"2022-09-04T14:38:14.365644Z","structure_string":"K2 Ni1 Pb1 N6 O12\n1.0\n6.452143 0.000000 3.725146\n2.150714 6.083138 3.725146\n0.000000 -0.000000 7.450293\nK Ni Pb N O\n2 1 1 6 12\ndirect\n0.250000 0.250001 0.250000 K\n0.749998 0.750000 0.750001 K\n0.000000 0.000000 0.000000 Ni\n0.499999 0.500000 0.500001 Pb\n0.195756 0.195755 0.804244 N\n0.804244 0.804245 0.195756 N\n0.195754 0.804245 0.195757 N\n0.804245 0.195755 0.804246 N\n0.195754 0.804245 0.804246 N\n0.804245 0.195755 0.195757 N\n0.154894 0.845105 0.359938 O\n0.640062 0.359938 0.845105 O\n0.845103 0.359938 0.154896 O\n0.640062 0.154894 0.359938 O\n0.359937 0.154894 0.845106 O\n0.359936 0.640063 0.154896 O\n0.845103 0.640063 0.359939 O\n0.640062 0.845105 0.154895 O\n0.154894 0.359938 0.640062 O\n0.154895 0.640063 0.845104 O\n0.359936 0.845105 0.640063 O\n0.845105 0.154894 0.640063 O\n","nsites":22,"nelements":5,"elements":["K","Ni","Pb","N","O"],"chemical_system":"K-N-Ni-O-Pb","density":3.5214532819913202,"density_atomic":0.07523461018658785,"volume":292.4186082102139,"volume_molar":8.004481906750907,"formula_full":"K2 Ni1 Pb1 N6 O12","formula_reduced":"K2NiPb(NO2)6","formula_anonymous":"ABC2D6E12","energy_above_hull":3.391491850909091,"spacegroup":202},{"id":"jvasp-55288","created_at":"2022-09-04T14:38:09.196132Z","updated_at":"2022-09-04T14:38:09.196156Z","structure_string":"Sr6 Tb2 Rh2 O12\n1.0\n6.823463 -0.005498 -0.227643\n-0.235182 6.819411 -0.227643\n-0.005316 -0.005498 6.827257\nTb Sr Rh O\n2 6 2 12\ndirect\n0.250000 0.250000 0.250000 Tb\n0.749999 0.749999 0.750001 Tb\n0.750000 0.380241 0.119760 Sr\n0.119759 0.750000 0.380242 Sr\n0.380240 0.119759 0.750000 Sr\n0.880240 0.249999 0.619760 Sr\n0.249999 0.619759 0.880242 Sr\n0.619759 0.880241 0.250001 Sr\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500001 Rh\n0.088850 0.292044 0.954623 O\n0.792043 0.588850 0.454623 O\n0.545378 0.207956 0.411150 O\n0.411150 0.545378 0.207957 O\n0.207956 0.411149 0.545378 O\n0.707955 0.045377 0.911150 O\n0.911150 0.707956 0.045379 O\n0.045378 0.911149 0.707957 O\n0.454622 0.792043 0.588851 O\n0.588850 0.454621 0.792045 O\n0.954621 0.088850 0.292044 O\n0.292044 0.954622 0.088851 O\n","nsites":22,"nelements":4,"elements":["Tb","Sr","Rh","O"],"chemical_system":"O-Rh-Sr-Tb","density":6.489173662813764,"density_atomic":0.06925643945442643,"volume":317.6599919560823,"volume_molar":8.695423569909071,"formula_full":"Sr6 Tb2 Rh2 O12","formula_reduced":"Sr3TbRhO6","formula_anonymous":"ABC3D6","energy_above_hull":1.624424666363636,"spacegroup":167},{"id":"jvasp-32146","created_at":"2022-09-04T14:36:17.853255Z","updated_at":"2022-09-04T14:36:17.853271Z","structure_string":"Sn8 S2 F12\n1.0\n8.611571 0.001367 -0.000001\n-4.307006 6.233856 0.000000\n-0.000001 -0.000001 8.558667\nSn S F\n8 2 12\ndirect\n0.318008 0.636701 0.867875 Sn\n0.681992 0.363300 0.367873 Sn\n0.647456 0.840555 0.333663 Sn\n0.193473 0.840637 0.333376 Sn\n0.154878 0.309583 0.426541 Sn\n0.352543 0.159446 0.833662 Sn\n0.806527 0.159364 0.833375 Sn\n0.845122 0.690417 0.926541 Sn\n0.339149 0.678356 0.564584 S\n0.660851 0.321645 0.064583 S\n0.504335 0.506904 0.822718 F\n0.998051 0.493133 0.322135 F\n0.385919 0.771182 0.212237 F\n0.495665 0.493097 0.322716 F\n0.855836 0.710786 0.398945 F\n0.729230 0.812477 0.094589 F\n0.270770 0.187525 0.594590 F\n0.144165 0.289214 0.898943 F\n0.083442 0.812097 0.094244 F\n0.614081 0.228820 0.712236 F\n0.916558 0.187905 0.594244 F\n0.001950 0.506869 0.822135 F\n","nsites":22,"nelements":3,"elements":["Sn","S","F"],"chemical_system":"F-S-Sn","density":4.487501830810461,"density_atomic":0.04787731322460541,"volume":459.50782360722826,"volume_molar":12.578276336745361,"formula_full":"Sn8 S2 F12","formula_reduced":"Sn4SF6","formula_anonymous":"AB4C6","energy_above_hull":0.1122580450000001,"spacegroup":36},{"id":"jvasp-98283","created_at":"2022-09-04T14:36:19.200732Z","updated_at":"2022-09-04T14:36:19.200754Z","structure_string":"K2 Sn12 Au8\n1.0\n6.638034 -0.022197 -1.508319\n-1.345193 6.495609 -1.507166\n-0.009655 -0.009472 13.070946\nK Sn Au\n2 12 8\ndirect\n0.375000 0.625019 0.250012 K\n0.625000 0.374981 0.749988 K\n0.242104 0.489479 0.479960 Sn\n0.262200 0.009542 0.519996 Sn\n0.020695 0.979348 0.249993 Sn\n0.990353 0.737720 0.980005 Sn\n0.737801 0.990458 0.480004 Sn\n0.270715 0.729346 0.750010 Sn\n0.510419 0.757807 0.020034 Sn\n0.009648 0.262280 0.019995 Sn\n0.757897 0.510521 0.520040 Sn\n0.729285 0.270654 0.249990 Sn\n0.489582 0.242193 0.979966 Sn\n0.979305 0.020652 0.750007 Sn\n0.687853 0.937795 0.875673 Au\n0.567245 0.817303 0.634560 Au\n0.937791 0.687833 0.375648 Au\n0.062210 0.312167 0.624352 Au\n0.312147 0.062205 0.124327 Au\n0.817285 0.567238 0.134533 Au\n0.182715 0.432762 0.865467 Au\n0.432756 0.182697 0.365440 Au\n","nsites":22,"nelements":3,"elements":["K","Sn","Au"],"chemical_system":"Au-K-Sn","density":9.079808363733514,"density_atomic":0.03907673604156199,"volume":562.994820667745,"volume_molar":15.411063896418716,"formula_full":"K2 Sn12 Au8","formula_reduced":"K(Sn3Au2)2","formula_anonymous":"AB4C6","energy_above_hull":0.3374980436363636,"spacegroup":70},{"id":"jvasp-50055","created_at":"2022-09-04T14:36:31.124096Z","updated_at":"2022-09-04T14:36:31.124133Z","structure_string":"Tl4 Ge4 O14\n1.0\n-0.000005 5.025816 5.025812\n5.025808 -0.000007 5.025814\n5.025807 5.025817 -0.000005\nTl Ge O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 -0.000000 0.000001 Tl\n-0.000000 0.500000 0.000000 Tl\n0.000000 0.000000 0.500000 Tl\n0.500000 0.000000 0.500001 Ge\n0.499999 0.500000 0.000001 Ge\n-0.000000 0.500000 0.500000 Ge\n0.500000 0.500000 0.500001 Ge\n0.824764 0.425236 0.824765 O\n0.824764 0.824765 0.425237 O\n0.425235 0.425235 0.824766 O\n0.425235 0.824765 0.425235 O\n0.175235 0.574765 0.574764 O\n0.824765 0.425234 0.425236 O\n0.574766 0.175235 0.574766 O\n0.175236 0.574764 0.175236 O\n0.175234 0.175236 0.574765 O\n0.425235 0.824765 0.824766 O\n0.574764 0.175235 0.175236 O\n0.125000 0.125000 0.125001 O\n0.574763 0.574766 0.175236 O\n0.874999 0.875001 0.875000 O\n","nsites":22,"nelements":3,"elements":["Tl","Ge","O"],"chemical_system":"Ge-O-Tl","density":8.712272220141369,"density_atomic":0.08665091386672434,"volume":253.8923020920202,"volume_molar":6.949887186720855,"formula_full":"Tl4 Ge4 O14","formula_reduced":"Tl2Ge2O7","formula_anonymous":"A2B2C7","energy_above_hull":1.7708928727272726,"spacegroup":227},{"id":"jvasp-51383","created_at":"2022-09-04T14:37:00.144130Z","updated_at":"2022-09-04T14:37:00.144161Z","structure_string":"Sb4 Pb4 O14\n1.0\n-5.283538 3.966098 3.790166\n5.283538 -3.966098 3.790166\n5.283538 3.966098 -3.790166\nSb Pb O\n4 4 14\ndirect\n0.240600 0.738804 0.001796 Sb\n0.737007 0.238803 0.998204 Sb\n0.240910 0.740910 0.500000 Sb\n0.240910 0.240910 0.000000 Sb\n0.219632 0.251741 0.467890 Pb\n0.783852 0.751742 0.532110 Pb\n0.731293 0.231293 0.500000 Pb\n0.731293 0.731293 0.000000 Pb\n0.368196 0.558839 0.042868 O\n0.515970 0.325328 0.957133 O\n0.368196 0.825329 0.309358 O\n0.515970 0.058838 0.690642 O\n0.019990 0.146291 0.694002 O\n0.452290 0.325990 0.305999 O\n0.108689 0.918275 0.948912 O\n0.452290 0.646292 0.626302 O\n0.969365 0.159778 0.051088 O\n0.895652 0.489453 0.906197 O\n0.969365 0.418275 0.309587 O\n0.108689 0.659778 0.690414 O\n0.019990 0.825990 0.373699 O\n0.583257 0.989454 0.093803 O\n","nsites":22,"nelements":3,"elements":["Sb","Pb","O"],"chemical_system":"O-Pb-Sb","density":8.048516266458385,"density_atomic":0.06924942658763883,"volume":317.6921612796003,"volume_molar":8.696304152610796,"formula_full":"Sb4 Pb4 O14","formula_reduced":"Sb2Pb2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.129290758181818,"spacegroup":46},{"id":"jvasp-49804","created_at":"2022-09-04T14:36:37.830435Z","updated_at":"2022-09-04T14:36:37.830471Z","structure_string":"Tb6 Nb2 O14\n1.0\n5.296261 3.792355 0.000000\n-5.296261 3.792355 0.000000\n0.000000 0.000000 7.509756\nTb Nb O\n6 2 14\ndirect\n0.000547 0.463055 0.489901 Tb\n0.536946 0.999454 0.510100 Tb\n0.465623 0.465623 0.750000 Tb\n0.534378 0.534378 0.250000 Tb\n0.999454 0.536946 0.989901 Tb\n0.463055 0.000547 0.010100 Tb\n0.002017 0.002017 0.250000 Nb\n0.997984 0.997984 0.750000 Nb\n0.308238 0.051778 0.296501 O\n0.948223 0.691764 0.703499 O\n0.629414 0.370587 0.000000 O\n0.915885 0.669326 0.272968 O\n0.330675 0.084116 0.727033 O\n0.084116 0.330675 0.772968 O\n0.051778 0.308238 0.203499 O\n0.370587 0.629414 0.500000 O\n0.691764 0.948223 0.796502 O\n0.638570 0.361431 0.500000 O\n0.361431 0.638570 0.000000 O\n0.071623 0.928378 0.000000 O\n0.669326 0.915885 0.227032 O\n0.928378 0.071623 0.500000 O\n","nsites":22,"nelements":3,"elements":["Tb","Nb","O"],"chemical_system":"Nb-O-Tb","density":7.504544409186552,"density_atomic":0.0729270246259021,"volume":301.67143268019845,"volume_molar":8.25776286759554,"formula_full":"Tb6 Nb2 O14","formula_reduced":"Tb3NbO7","formula_anonymous":"AB3C7","energy_above_hull":2.6096717363636364,"spacegroup":20},{"id":"jvasp-52831","created_at":"2022-09-04T14:36:31.558602Z","updated_at":"2022-09-04T14:36:31.558630Z","structure_string":"Na2 H6 C4 O10\n1.0\n-5.719917 0.013985 0.016171\n2.216218 5.925045 0.004801\n-0.550811 -1.592369 -6.464231\nNa H C O\n2 6 4 10\ndirect\n0.759066 0.753786 0.972901 Na\n0.240935 0.246216 0.027099 Na\n0.232017 0.799742 0.766040 H\n0.767984 0.200260 0.233960 H\n0.254786 0.776300 -0.003117 H\n0.745214 0.223702 0.003118 H\n0.992726 0.743824 0.393426 H\n0.007274 0.256177 0.606574 H\n0.597780 0.277219 0.642329 C\n0.402221 0.722783 0.357671 C\n0.646995 0.742167 0.458782 C\n0.353006 0.257835 0.541218 C\n0.180639 0.843762 0.911139 O\n0.659596 0.756321 0.644616 O\n0.340404 0.243680 0.355384 O\n0.828655 0.735633 0.325486 O\n0.171346 0.264368 0.674514 O\n0.387083 0.667215 0.163246 O\n0.612917 0.332787 0.836755 O\n0.235233 0.761871 0.483177 O\n0.764767 0.238131 0.516823 O\n0.819362 0.156240 0.088861 O\n","nsites":22,"nelements":4,"elements":["Na","H","C","O"],"chemical_system":"C-H-Na-O","density":1.969832303336295,"density_atomic":0.10035121527769506,"volume":219.23003063909994,"volume_molar":6.001064106035329,"formula_full":"Na2 H6 C4 O10","formula_reduced":"NaH3C2O5","formula_anonymous":"AB2C3D5","energy_above_hull":3.3098178636363635,"spacegroup":2},{"id":"jvasp-42259","created_at":"2022-09-04T14:36:17.661900Z","updated_at":"2022-09-04T14:36:17.661926Z","structure_string":"Li2 Mn4 B4 O12\n1.0\n5.276435 0.004461 -0.018457\n0.021726 5.714264 -0.053793\n-0.020645 1.373805 7.768086\nLi Mn B O\n2 4 4 12\ndirect\n0.343810 0.049128 0.257847 Li\n0.656189 0.950872 0.742154 Li\n0.177070 0.194625 0.559984 Mn\n0.294838 0.348949 0.916390 Mn\n0.705161 0.651050 0.083611 Mn\n0.822929 0.805375 0.440017 Mn\n0.824474 0.151685 0.096629 B\n0.676093 0.321851 0.418305 B\n0.323906 0.678149 0.581695 B\n0.175524 0.848315 0.903372 B\n0.197430 0.861173 0.472859 O\n0.575304 0.692449 0.614642 O\n0.184122 0.488338 0.666482 O\n0.672859 0.333631 0.010755 O\n0.327140 0.666369 0.989246 O\n0.081477 0.169425 0.104662 O\n0.424695 0.307551 0.385359 O\n0.802569 0.138827 0.527141 O\n0.305243 0.045349 0.810835 O\n0.694756 0.954651 0.189166 O\n0.815877 0.511662 0.333519 O\n0.918522 0.830574 0.895338 O\n","nsites":22,"nelements":4,"elements":["Li","Mn","B","O"],"chemical_system":"B-Li-Mn-O","density":3.3187270215966267,"density_atomic":0.09377601233701789,"volume":234.60157295807238,"volume_molar":6.421834976686006,"formula_full":"Li2 Mn4 B4 O12","formula_reduced":"LiMn2(BO3)2","formula_anonymous":"AB2C2D6","energy_above_hull":3.391694604493208,"spacegroup":2}]}