{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=3518","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=3516","results":[{"id":"jvasp-119458","created_at":"2022-09-04T14:38:52.871232Z","updated_at":"2022-09-04T14:38:52.871279Z","structure_string":"Na3 Pd5 F12\n1.0\n7.061055 -0.082814 2.164444\n3.700846 6.014074 2.164444\n0.097843 0.053925 6.782965\nNa Pd F\n3 5 12\ndirect\n0.000000 0.000000 0.000000 Na\n0.741130 0.258869 0.499999 Na\n0.258870 0.741130 0.499999 Na\n0.769593 0.769593 0.467052 Pd\n0.230407 0.230406 0.532946 Pd\n0.500000 0.500000 -0.000001 Pd\n0.499999 0.000000 -0.000000 Pd\n0.000000 0.500000 -0.000000 Pd\n0.780459 0.362763 0.116042 F\n0.219541 0.637236 0.883957 F\n0.637237 0.219540 0.883957 F\n0.362763 0.780459 0.116042 F\n0.068124 0.068123 0.619785 F\n0.391191 0.391190 0.466970 F\n0.204681 0.204680 0.843997 F\n0.795319 0.795319 0.156001 F\n0.243236 0.243236 0.229753 F\n0.608809 0.608809 0.533028 F\n0.931876 0.931876 0.380213 F\n0.756764 0.756763 0.770245 F\n","nsites":20,"nelements":3,"elements":["Na","Pd","F"],"chemical_system":"F-Na-Pd","density":4.772831218387701,"density_atomic":0.06933877657737059,"volume":288.4388936064269,"volume_molar":8.685098089782834,"formula_full":"Na3 Pd5 F12","formula_reduced":"Na3Pd5F12","formula_anonymous":"A3B5C12","energy_above_hull":0.39301783225,"spacegroup":12},{"id":"jvasp-119457","created_at":"2022-09-04T14:38:50.572504Z","updated_at":"2022-09-04T14:38:50.572528Z","structure_string":"Nb2 Ni21 B6\n1.0\n6.440207 -0.000000 3.718255\n2.146736 6.071885 3.718255\n-0.000000 -0.000000 7.436510\nNb Ni B\n2 21 6\ndirect\n0.250000 0.250000 0.250000 Nb\n0.750001 0.750001 0.750000 Nb\n0.000000 0.000000 0.000000 Ni\n0.153266 0.615578 0.615578 Ni\n0.846734 0.384423 0.384423 Ni\n0.615578 0.153266 0.615578 Ni\n0.615578 0.615578 0.153266 Ni\n0.384423 0.846735 0.384423 Ni\n0.384423 0.384423 0.846734 Ni\n0.615578 0.615578 0.615578 Ni\n0.340516 0.659485 0.000000 Ni\n0.659485 0.340515 0.000000 Ni\n0.384423 0.384423 0.384423 Ni\n0.000000 0.000000 0.340515 Ni\n0.340515 0.000000 0.659485 Ni\n0.000000 0.659485 0.000000 Ni\n0.659485 0.000000 0.340515 Ni\n0.000000 0.340515 0.000000 Ni\n0.000000 0.659485 0.340515 Ni\n0.000000 0.340515 0.659485 Ni\n0.659485 0.000000 0.000000 Ni\n0.340515 0.000000 0.000000 Ni\n0.000000 0.000000 0.659485 Ni\n0.267483 0.267483 0.732517 B\n0.732517 0.267483 0.267483 B\n0.267484 0.732517 0.732517 B\n0.267484 0.732517 0.267483 B\n0.732517 0.267483 0.732517 B\n0.732518 0.732517 0.267483 B\n","nsites":29,"nelements":3,"elements":["Nb","Ni","B"],"chemical_system":"B-Nb-Ni","density":8.469700296003845,"density_atomic":0.09972532664299517,"volume":290.7987466796329,"volume_molar":6.038727535642525,"formula_full":"Nb2 Ni21 B6","formula_reduced":"Nb2(Ni7B2)3","formula_anonymous":"A2B6C21","energy_above_hull":2.6317277482758623,"spacegroup":225},{"id":"jvasp-119455","created_at":"2022-09-04T14:38:49.739176Z","updated_at":"2022-09-04T14:38:49.739194Z","structure_string":"Rb2 Cr2 S4 O16\n1.0\n4.857921 -0.004745 -0.004504\n2.440056 8.176793 4.179740\n0.007246 -0.143693 8.607114\nRb Cr S O\n2 2 4 16\ndirect\n0.290420 0.500007 0.249989 Rb\n0.709584 0.499998 0.749961 Rb\n0.500016 -0.000004 0.500002 Cr\n-0.000013 -0.000001 0.000004 Cr\n0.588180 0.806735 0.914293 S\n0.105054 0.806703 0.414300 S\n0.411788 0.193264 0.085712 S\n0.894983 0.193294 0.585703 S\n0.617860 0.155529 0.566584 O\n0.304037 0.066379 0.071891 O\n0.061939 0.817188 0.235689 O\n0.620706 0.817172 0.735694 O\n0.129583 0.066466 0.571801 O\n0.726653 0.155544 0.066562 O\n0.870480 0.933533 0.428219 O\n0.877084 0.358388 0.460708 O\n0.382186 0.844469 0.433397 O\n0.695922 0.933627 0.928104 O\n0.379286 0.182818 0.264315 O\n0.264512 0.358329 0.960695 O\n0.122946 0.641611 0.539299 O\n0.735441 0.641673 0.039326 O\n0.273312 0.844461 -0.066561 O\n-0.061942 0.182812 0.764315 O\n","nsites":24,"nelements":4,"elements":["Rb","Cr","S","O"],"chemical_system":"Cr-O-Rb-S","density":3.1735314964336276,"density_atomic":0.06958283529796801,"volume":344.9126483166009,"volume_molar":8.654635491945616,"formula_full":"Rb2 Cr2 S4 O16","formula_reduced":"RbCr(SO4)2","formula_anonymous":"ABC2D8","energy_above_hull":2.59450795,"spacegroup":15},{"id":"jvasp-119453","created_at":"2022-09-04T14:38:33.539159Z","updated_at":"2022-09-04T14:38:33.539177Z","structure_string":"Sr1 La2 Mn3 O9\n1.0\n5.478227 0.002254 -0.003991\n-2.741843 4.744774 -0.003044\n0.002905 0.002923 6.703669\nSr La Mn O\n1 2 3 9\ndirect\n0.000003 0.999994 -0.000001 Sr\n0.666656 0.333317 0.330727 La\n0.333350 0.666674 0.669273 La\n0.666681 0.333336 0.834811 Mn\n0.333328 0.666653 0.165190 Mn\n0.000004 -0.000002 0.500000 Mn\n0.830822 0.661599 0.660704 O\n0.169190 0.338400 0.339301 O\n0.830830 0.169251 0.660669 O\n0.169182 0.830746 0.339330 O\n0.338475 0.169254 0.660638 O\n0.661536 0.830742 0.339362 O\n0.500003 0.499991 0.000004 O\n0.000001 0.499991 0.000002 O\n0.500002 -0.000010 -0.000004 O\n","nsites":15,"nelements":4,"elements":["Sr","La","Mn","O"],"chemical_system":"La-Mn-O-Sr","density":6.423795399769433,"density_atomic":0.08606360963010824,"volume":174.28969182757172,"volume_molar":6.997313714684391,"formula_full":"Sr1 La2 Mn3 O9","formula_reduced":"SrLa2Mn3O9","formula_anonymous":"AB2C3D9","energy_above_hull":2.9289713022758623,"spacegroup":164},{"id":"jvasp-119452","created_at":"2022-09-04T14:38:44.406785Z","updated_at":"2022-09-04T14:38:44.406809Z","structure_string":"Sr1 Ho2 Al2 O7\n1.0\n3.648199 0.007363 -9.418779\n-0.120577 3.646213 -9.418779\n-0.007109 -0.007363 10.100628\nSr Ho Al O\n1 2 2 7\ndirect\n0.500000 0.499999 -0.000001 Sr\n0.318034 0.318033 -0.000001 Ho\n0.681966 0.681965 -0.000002 Ho\n0.096882 0.096882 -0.000000 Al\n0.903118 0.903116 -0.000002 Al\n0.606408 0.106408 0.500000 O\n0.393591 0.893591 0.499999 O\n0.106408 0.606408 0.499999 O\n0.893592 0.393591 0.499999 O\n0.000000 0.000000 0.000000 O\n0.205174 0.205174 -0.000000 O\n0.794825 0.794824 -0.000002 O\n","nsites":12,"nelements":4,"elements":["Sr","Ho","Al","O"],"chemical_system":"Al-Ho-O-Sr","density":7.237396539234683,"density_atomic":0.08964347342004837,"volume":133.8636215463317,"volume_molar":6.71787976329482,"formula_full":"Sr1 Ho2 Al2 O7","formula_reduced":"SrHo2Al2O7","formula_anonymous":"AB2C2D7","energy_above_hull":1.9896264619444448,"spacegroup":139},{"id":"jvasp-119451","created_at":"2022-09-04T14:38:52.861510Z","updated_at":"2022-09-04T14:38:52.861536Z","structure_string":"Tm16 Mg4 Co4\n1.0\n8.117080 -0.000000 4.686398\n2.705693 7.652856 4.686398\n-0.000000 -0.000000 9.372796\nTm Mg Co\n16 4 4\ndirect\n0.343834 0.343835 0.343835 Tm\n0.936708 0.936709 0.563292 Tm\n0.563291 0.563292 0.936709 Tm\n0.936708 0.563292 0.936709 Tm\n0.563291 0.936709 0.563292 Tm\n0.936708 0.563292 0.563292 Tm\n0.813561 0.813562 0.186439 Tm\n0.186439 0.186439 0.813562 Tm\n0.563291 0.936709 0.936709 Tm\n0.186438 0.813562 0.186439 Tm\n0.186438 0.813562 0.813562 Tm\n0.813561 0.186439 0.186439 Tm\n0.968497 0.343835 0.343835 Tm\n0.343834 0.968498 0.343835 Tm\n0.343834 0.343835 0.968498 Tm\n0.813561 0.186439 0.813562 Tm\n0.579534 0.579535 0.579535 Mg\n0.579534 0.579535 0.261395 Mg\n0.579535 0.261395 0.579535 Mg\n0.261394 0.579535 0.579535 Mg\n0.140412 0.578763 0.140413 Co\n0.140412 0.140412 0.140413 Co\n0.140412 0.140412 0.578763 Co\n0.578763 0.140412 0.140413 Co\n","nsites":24,"nelements":3,"elements":["Tm","Mg","Co"],"chemical_system":"Co-Mg-Tm","density":8.658527631015426,"density_atomic":0.04122101764757812,"volume":582.2272561339854,"volume_molar":14.609393711447643,"formula_full":"Tm16 Mg4 Co4","formula_reduced":"Tm4MgCo","formula_anonymous":"ABC4","energy_above_hull":1.414399491666667,"spacegroup":216},{"id":"jvasp-119448","created_at":"2022-09-04T14:38:33.500647Z","updated_at":"2022-09-04T14:38:33.500674Z","structure_string":"Y16 Mg4 Ir4\n1.0\n8.393514 0.000000 4.845997\n2.797838 7.913481 4.845997\n-0.000000 -0.000000 9.691995\nY Mg Ir\n16 4 4\ndirect\n0.596648 0.596648 0.596648 Y\n0.186636 0.186636 0.813364 Y\n0.813364 0.813364 0.186636 Y\n0.186636 0.813364 0.186636 Y\n0.813364 0.186636 0.813364 Y\n0.186636 0.813364 0.813364 Y\n0.061549 0.061549 0.438451 Y\n0.438451 0.438451 0.061549 Y\n0.813364 0.186636 0.186636 Y\n0.438451 0.061549 0.438451 Y\n0.438451 0.061549 0.061549 Y\n0.061549 0.438451 0.438451 Y\n0.210055 0.596648 0.596648 Y\n0.596648 0.210055 0.596648 Y\n0.596648 0.596648 0.210056 Y\n0.061549 0.438451 0.061549 Y\n0.829676 0.829676 0.829676 Mg\n0.829676 0.829676 0.510974 Mg\n0.829676 0.510974 0.829676 Mg\n0.510974 0.829676 0.829676 Mg\n0.391054 0.826837 0.391054 Ir\n0.391054 0.391054 0.391054 Ir\n0.391054 0.391054 0.826837 Ir\n0.826837 0.391054 0.391055 Ir\n","nsites":24,"nelements":3,"elements":["Y","Mg","Ir"],"chemical_system":"Ir-Mg-Y","density":5.903246725066371,"density_atomic":0.03728092481209576,"volume":643.7608541356041,"volume_molar":16.15341033076015,"formula_full":"Y16 Mg4 Ir4","formula_reduced":"Y4MgIr","formula_anonymous":"ABC4","energy_above_hull":2.768340325,"spacegroup":216},{"id":"jvasp-119447","created_at":"2022-09-04T14:38:49.732521Z","updated_at":"2022-09-04T14:38:49.732539Z","structure_string":"Ca4 Er8 S16\n1.0\n3.861004 -0.000000 0.000000\n0.000000 12.855952 0.000000\n-0.000000 -0.000000 13.024101\nCa Er S\n4 8 16\ndirect\n0.250000 0.368974 0.582911 Ca\n0.250000 0.868974 0.917089 Ca\n0.749999 0.631026 0.417089 Ca\n0.749999 0.131026 0.082911 Ca\n0.749999 0.353351 0.297660 Er\n0.749999 0.853351 0.202339 Er\n0.250000 0.146649 0.797660 Er\n0.250000 0.646649 0.702339 Er\n0.749999 0.892976 0.583696 Er\n0.250000 0.607024 0.083696 Er\n0.250000 0.107024 0.416304 Er\n0.749999 0.392976 0.916304 Er\n0.250000 0.470500 0.382373 S\n0.250000 0.534744 0.882031 S\n0.250000 0.034744 0.617969 S\n0.749999 0.029500 0.882372 S\n0.749999 0.529500 0.617627 S\n0.250000 0.970499 0.117627 S\n0.749999 0.242427 0.474789 S\n0.250000 0.717012 0.262962 S\n0.250000 0.757573 0.525211 S\n0.250000 0.257573 0.974789 S\n0.749999 0.282988 0.737038 S\n0.749999 0.782988 0.762962 S\n0.749999 0.965256 0.382031 S\n0.250000 0.217012 0.237038 S\n0.749999 0.742427 0.025211 S\n0.749999 0.465256 0.117969 S\n","nsites":28,"nelements":3,"elements":["Ca","Er","S"],"chemical_system":"Ca-Er-S","density":5.166548088108095,"density_atomic":0.043311755032163564,"volume":646.475765740895,"volume_molar":13.904171640073054,"formula_full":"Ca4 Er8 S16","formula_reduced":"Ca(ErS2)2","formula_anonymous":"AB2C4","energy_above_hull":1.2813514885714286,"spacegroup":62},{"id":"jvasp-119445","created_at":"2022-09-04T14:38:50.265444Z","updated_at":"2022-09-04T14:38:50.265473Z","structure_string":"Pr12 Ga8 Ni8\n1.0\n5.707116 -0.000000 0.000000\n0.000000 8.157325 0.000000\n-0.000000 -0.000000 13.102760\nPr Ga Ni\n12 8 8\ndirect\n0.148692 0.894876 0.598159 Pr\n0.851309 0.105123 0.098159 Pr\n0.148692 0.605123 0.401841 Pr\n0.851309 0.394876 0.901841 Pr\n0.851309 0.105123 0.401841 Pr\n0.148692 0.894876 0.901841 Pr\n0.851309 0.394876 0.598159 Pr\n0.148692 0.605123 0.098159 Pr\n0.351597 0.247531 0.750000 Pr\n0.648404 0.752469 0.250000 Pr\n0.351597 0.252469 0.250000 Pr\n0.648404 0.747531 0.750000 Pr\n0.354688 0.250000 -0.000000 Ga\n0.645313 0.750000 0.500000 Ga\n0.645313 0.750000 -0.000000 Ga\n0.354688 0.250000 0.500000 Ga\n0.161371 0.898637 0.250000 Ga\n0.838630 0.398638 0.250000 Ga\n0.838630 0.101362 0.750000 Ga\n0.161371 0.601362 0.750000 Ga\n0.384598 0.532573 0.588919 Ni\n0.615403 0.032573 0.588919 Ni\n0.384598 0.967426 0.088919 Ni\n0.615403 0.467426 0.411081 Ni\n0.384598 0.532573 0.911081 Ni\n0.384598 0.967426 0.411081 Ni\n0.615403 0.032573 0.911081 Ni\n0.615403 0.467426 0.088919 Ni\n","nsites":28,"nelements":3,"elements":["Pr","Ga","Ni"],"chemical_system":"Ga-Ni-Pr","density":7.399577593553865,"density_atomic":0.045901912380001214,"volume":609.9963715716382,"volume_molar":13.11958575962024,"formula_full":"Pr12 Ga8 Ni8","formula_reduced":"Pr3(GaNi)2","formula_anonymous":"A2B2C3","energy_above_hull":0.9453570000000004,"spacegroup":57},{"id":"jvasp-119440","created_at":"2022-09-04T14:38:52.501551Z","updated_at":"2022-09-04T14:38:52.501562Z","structure_string":"Y20 Cd6 Ru2\n1.0\n9.596412 -0.000000 0.000000\n-4.798206 8.310737 0.000000\n-0.000000 -0.000000 9.733806\nY Cd Ru\n20 6 2\ndirect\n0.000000 0.000000 0.500000 Y\n0.082497 0.541249 0.750000 Y\n0.458751 0.917503 0.750000 Y\n0.458751 0.541249 0.750000 Y\n0.917503 0.458752 0.250000 Y\n0.541248 0.082497 0.250000 Y\n0.541248 0.458752 0.250000 Y\n0.209606 0.419213 0.059626 Y\n0.209606 0.790394 0.059626 Y\n0.419213 0.209606 0.940374 Y\n0.580787 0.790394 0.059626 Y\n0.790394 0.209606 0.940374 Y\n0.790394 0.580787 0.940374 Y\n0.209606 0.790394 0.440374 Y\n0.209606 0.419213 0.440374 Y\n0.580787 0.790394 0.440374 Y\n0.000000 0.000000 0.000000 Y\n0.790394 0.580787 0.559626 Y\n0.419213 0.209606 0.559626 Y\n0.790394 0.209606 0.559626 Y\n0.884308 0.115692 0.250000 Cd\n0.884308 0.768618 0.250000 Cd\n0.231382 0.115692 0.250000 Cd\n0.115691 0.884309 0.750000 Cd\n0.115692 0.231382 0.750000 Cd\n0.768617 0.884309 0.750000 Cd\n0.333333 0.666667 0.250000 Ru\n0.666666 0.333333 0.750000 Ru\n","nsites":28,"nelements":3,"elements":["Y","Cd","Ru"],"chemical_system":"Cd-Ru-Y","density":5.678546672104082,"density_atomic":0.03606840362391206,"volume":776.3027244554013,"volume_molar":16.69644385372115,"formula_full":"Y20 Cd6 Ru2","formula_reduced":"Y10Cd3Ru","formula_anonymous":"AB3C10","energy_above_hull":2.441230303571428,"spacegroup":194},{"id":"jvasp-119439","created_at":"2022-09-04T14:38:50.195847Z","updated_at":"2022-09-04T14:38:50.195868Z","structure_string":"Hf6 Ga16 Pd7\n1.0\n7.632112 0.000000 4.406402\n2.544037 7.195625 4.406402\n-0.000000 0.000000 8.812804\nHf Ga Pd\n6 16 7\ndirect\n0.683686 0.683685 0.316314 Hf\n0.316315 0.683685 0.316314 Hf\n0.683686 0.316314 0.316314 Hf\n0.316314 0.316314 0.683685 Hf\n0.683686 0.316314 0.683685 Hf\n0.316315 0.683685 0.683685 Hf\n0.340897 0.340897 0.340897 Ga\n0.977308 0.340897 0.340897 Ga\n0.340898 0.977308 0.340897 Ga\n0.340897 0.340897 0.977308 Ga\n0.659103 0.659102 0.659102 Ga\n0.022692 0.659102 0.659102 Ga\n0.659103 0.022692 0.659102 Ga\n0.659103 0.659102 0.022691 Ga\n0.634935 0.121688 0.121688 Ga\n0.121689 0.634934 0.121688 Ga\n0.121688 0.121688 0.634934 Ga\n0.878312 0.878311 0.878311 Ga\n0.365066 0.878311 0.878311 Ga\n0.878311 0.365065 0.878311 Ga\n0.878312 0.878311 0.365065 Ga\n0.121688 0.121688 0.121688 Ga\n0.000000 0.500000 -0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 -0.000000 Pd\n0.500000 0.000000 -0.000000 Pd\n","nsites":29,"nelements":3,"elements":["Hf","Ga","Pd"],"chemical_system":"Ga-Hf-Pd","density":10.05782150398789,"density_atomic":0.05991983787023153,"volume":483.9799477229117,"volume_molar":10.050328862775226,"formula_full":"Hf6 Ga16 Pd7","formula_reduced":"Hf6Ga16Pd7","formula_anonymous":"A6B7C16","energy_above_hull":1.6454398310344829,"spacegroup":225},{"id":"jvasp-119437","created_at":"2022-09-04T14:38:33.391387Z","updated_at":"2022-09-04T14:38:33.391417Z","structure_string":"Zr14 As8\n1.0\n8.092727 -0.006291 2.096719\n7.244711 3.606445 2.096719\n-0.030336 -0.007121 15.132095\nZr As\n14 8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.820242 0.820241 0.544426 Zr\n0.179758 0.179758 0.455574 Zr\n0.997939 0.997938 0.663195 Zr\n0.662010 0.662008 0.033365 Zr\n0.337991 0.337991 0.966636 Zr\n0.793618 0.793617 0.796527 Zr\n0.002061 0.002061 0.336806 Zr\n0.805059 0.805057 0.307216 Zr\n0.194941 0.194942 0.692784 Zr\n0.569811 0.569810 0.833467 Zr\n0.430190 0.430189 0.166534 Zr\n0.500000 0.500000 0.500000 Zr\n0.206383 0.206382 0.203473 Zr\n0.062059 0.062059 0.150417 As\n0.177950 0.177950 0.892122 As\n0.822051 0.822049 0.107879 As\n0.371645 0.371644 0.400940 As\n0.628356 0.628355 0.599061 As\n0.370046 0.370046 0.660626 As\n0.629955 0.629954 0.339375 As\n0.937942 0.937941 0.849584 As\n","nsites":22,"nelements":2,"elements":["Zr","As"],"chemical_system":"As-Zr","density":7.040618277538136,"density_atomic":0.04970885694898672,"volume":442.5770647387307,"volume_molar":12.114824459110311,"formula_full":"Zr14 As8","formula_reduced":"Zr7As4","formula_anonymous":"A4B7","energy_above_hull":4.249128954545455,"spacegroup":12}]}