{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=529","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=527","results":[{"id":"jvasp-29949","created_at":"2022-09-04T14:38:16.961723Z","updated_at":"2022-09-04T14:38:16.961742Z","structure_string":"Sn3 P4 O14\n1.0\n5.528216 0.024170 0.439559\n2.929194 6.522867 -0.179817\n0.313431 0.910077 9.006561\nSn P O\n3 4 14\ndirect\n0.762267 0.396010 0.327977 Sn\n0.237733 0.603991 0.672023 Sn\n0.000000 0.000000 0.000000 Sn\n0.654555 0.692104 0.958133 P\n0.884080 0.347121 0.715441 P\n0.115920 0.652880 0.284558 P\n0.345444 0.307896 0.041867 P\n0.863700 0.652861 0.370239 O\n0.348635 0.410320 0.891407 O\n0.651365 0.589681 0.108592 O\n0.136299 0.347140 0.629761 O\n0.658774 0.408897 0.613018 O\n0.829140 0.814254 0.934753 O\n0.797265 0.521108 0.834911 O\n0.074644 0.858002 0.202995 O\n0.202734 0.478893 0.165089 O\n0.170859 0.185747 0.065247 O\n0.624788 0.183693 0.095710 O\n0.925356 0.141999 0.797005 O\n0.341226 0.591104 0.386981 O\n0.375212 0.816307 0.904290 O\n","nsites":21,"nelements":3,"elements":["Sn","P","O"],"chemical_system":"O-P-Sn","density":3.5935992771856293,"density_atomic":0.06455307211488294,"volume":325.3137195798676,"volume_molar":9.328976240329196,"formula_full":"Sn3 P4 O14","formula_reduced":"Sn3(P2O7)2","formula_anonymous":"A3B4C14","energy_above_hull":2.735245528571429,"spacegroup":2},{"id":"jvasp-88374","created_at":"2022-09-04T14:36:02.577122Z","updated_at":"2022-09-04T14:36:02.577142Z","structure_string":"Ba2 Ca1 B6 O12\n1.0\n6.204879 -0.043225 3.558298\n2.041001 5.859753 3.558298\n-0.061279 -0.043225 7.152499\nBa Ca B O\n2 1 6 12\ndirect\n0.210605 0.210604 0.210605 Ba\n0.789395 0.789393 0.789396 Ba\n0.000000 0.000000 0.000000 Ca\n0.631357 0.756551 0.366381 B\n0.366380 0.631355 0.756554 B\n0.368644 0.243446 0.633620 B\n0.633620 0.368643 0.243448 B\n0.243447 0.633619 0.368644 B\n0.756553 0.366379 0.631357 B\n0.202979 0.457225 0.578474 O\n0.578474 0.202978 0.457226 O\n0.457226 0.578472 0.202979 O\n0.542775 0.421525 0.797022 O\n0.421527 0.797020 0.542775 O\n0.797022 0.542773 0.421528 O\n0.336786 0.086447 0.837578 O\n0.837578 0.336785 0.086449 O\n0.663215 0.913551 0.162423 O\n0.162423 0.663213 0.913553 O\n0.913552 0.162421 0.663215 O\n0.086448 0.837577 0.336786 O\n","nsites":21,"nelements":4,"elements":["Ba","Ca","B","O"],"chemical_system":"B-Ba-Ca-O","density":3.614198227805288,"density_atomic":0.079964446570529,"volume":262.61671155915406,"volume_molar":7.531022871131166,"formula_full":"Ba2 Ca1 B6 O12","formula_reduced":"Ba2Ca(BO2)6","formula_anonymous":"AB2C6D12","energy_above_hull":3.1735785647619044,"spacegroup":148},{"id":"jvasp-88250","created_at":"2022-09-04T14:35:48.576742Z","updated_at":"2022-09-04T14:35:48.576760Z","structure_string":"Li3 Al3 Si3 O12\n1.0\n5.281927 0.000000 -0.000000\n-2.640964 4.574283 0.000000\n0.000000 0.000000 11.454413\nLi Al Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.666667 Li\n0.000000 0.000000 0.333333 Li\n0.500000 0.500000 0.166667 Al\n0.000000 0.500000 0.833333 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 0.500000 0.666667 Si\n0.000000 0.500000 0.333333 Si\n0.500000 -0.000000 0.000000 Si\n0.204870 0.398237 0.744446 O\n0.806632 0.204869 0.411114 O\n0.398238 0.193368 0.077780 O\n0.806632 0.601762 0.255553 O\n0.193369 0.795130 0.411114 O\n0.795131 0.193368 0.922220 O\n0.601763 0.795130 0.588886 O\n0.193368 0.398237 0.255553 O\n0.204870 0.806631 0.922220 O\n0.398238 0.204869 0.588886 O\n0.795131 0.601762 0.744446 O\n0.601763 0.806631 0.077780 O\n","nsites":21,"nelements":4,"elements":["Li","Al","Si","O"],"chemical_system":"Al-Li-O-Si","density":2.2681515508483456,"density_atomic":0.07588064821933242,"volume":276.7504033347167,"volume_molar":7.936332782230655,"formula_full":"Li3 Al3 Si3 O12","formula_reduced":"LiAlSiO4","formula_anonymous":"ABCD4","energy_above_hull":2.045510771428572,"spacegroup":181},{"id":"jvasp-97842","created_at":"2022-09-04T14:35:58.711935Z","updated_at":"2022-09-04T14:35:58.711959Z","structure_string":"Sr1 V2 P4 O14\n1.0\n4.812940 0.040190 0.182164\n2.094967 6.854603 0.005715\n-0.026599 0.002216 7.821208\nSr V P O\n1 2 4 14\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 V\n-0.000000 0.000000 0.500000 V\n0.618124 0.769524 0.299719 P\n0.381876 0.230476 0.700281 P\n0.042648 0.378675 0.245323 P\n0.957352 0.621326 0.754678 P\n0.814204 0.552312 0.351423 O\n0.619053 0.182834 0.561557 O\n0.380947 0.817167 0.438444 O\n0.099383 0.190615 0.343722 O\n0.492794 0.238113 0.883527 O\n0.507207 0.761888 0.116473 O\n0.185796 0.447688 0.648578 O\n0.893316 0.352875 0.078078 O\n0.106684 0.647125 0.921922 O\n0.680373 0.565234 0.788691 O\n0.319628 0.434766 0.211310 O\n0.900617 0.809385 0.656279 O\n0.817987 0.902330 0.294446 O\n0.182013 0.097671 0.705554 O\n","nsites":21,"nelements":4,"elements":["Sr","V","P","O"],"chemical_system":"O-P-Sr-V","density":3.4667636970835964,"density_atomic":0.08158402754102062,"volume":257.4033255399307,"volume_molar":7.381519326159836,"formula_full":"Sr1 V2 P4 O14","formula_reduced":"SrV2(P2O7)2","formula_anonymous":"AB2C4D14","energy_above_hull":3.1286202719047616,"spacegroup":2},{"id":"jvasp-112533","created_at":"2022-09-04T14:38:41.176564Z","updated_at":"2022-09-04T14:38:41.176598Z","structure_string":"Yb2 Co1 Te2 S2 O14\n1.0\n5.016057 0.098694 -1.732817\n-1.440607 6.845123 -2.886135\n-0.142580 0.023297 7.925200\nYb Co Te S O\n2 1 2 2 14\ndirect\n0.136908 0.245775 0.512530 Yb\n0.863092 0.754225 0.487469 Yb\n0.500000 0.500000 -0.000001 Co\n0.107327 0.769510 0.142731 Te\n0.892673 0.230489 0.857268 Te\n0.565781 0.249577 0.248446 S\n0.434219 0.750423 0.751553 S\n0.552826 0.324143 0.779782 O\n0.447173 0.675857 0.220216 O\n0.119331 0.447276 0.852375 O\n0.880669 0.552723 0.147624 O\n0.568599 0.706327 0.934231 O\n0.431401 0.293673 0.065768 O\n0.724481 0.427967 0.425183 O\n0.750593 0.115504 0.205387 O\n0.149505 0.913295 0.402470 O\n0.275519 0.572032 0.574816 O\n0.668394 0.837702 0.730331 O\n0.331606 0.162298 0.269668 O\n0.249407 0.884496 0.794612 O\n0.850495 0.086705 0.597529 O\n","nsites":21,"nelements":5,"elements":["Yb","Co","Te","S","O"],"chemical_system":"Co-O-S-Te-Yb","density":5.789775547582744,"density_atomic":0.07720941103889062,"volume":271.98756883953223,"volume_molar":7.799749640580252,"formula_full":"Yb2 Co1 Te2 S2 O14","formula_reduced":"Yb2CoTe2(SO7)2","formula_anonymous":"AB2C2D2E14","energy_above_hull":2.3925017539682543,"spacegroup":2},{"id":"jvasp-116803","created_at":"2022-09-04T14:38:43.280210Z","updated_at":"2022-09-04T14:38:43.280231Z","structure_string":"Y3 Fe6 O12\n1.0\n3.484973 -0.016000 -0.023158\n1.737489 3.020997 -0.023158\n-0.219191 -0.126122 24.238888\nY Fe O\n3 6 12\ndirect\n0.309088 0.309090 0.658302 Y\n0.000000 0.000000 0.000000 Y\n0.690911 0.690912 0.341698 Y\n0.373524 0.373525 0.462911 Fe\n0.675281 0.675282 0.123993 Fe\n0.324718 0.324719 0.876007 Fe\n0.015832 0.015832 0.217963 Fe\n-0.015832 -0.015831 0.782037 Fe\n0.626475 0.626476 0.537089 Fe\n0.010114 0.010114 0.130254 O\n0.669168 0.669170 0.043210 O\n0.977838 0.977840 0.700908 O\n0.681080 0.681082 0.212318 O\n0.290287 0.290288 0.537023 O\n0.022161 0.022162 0.299092 O\n0.318919 0.318920 0.787682 O\n0.330831 0.330832 0.956790 O\n0.639242 0.639244 0.614989 O\n-0.010114 -0.010114 0.869746 O\n0.709712 0.709714 0.462977 O\n0.360757 0.360758 0.385011 O\n","nsites":21,"nelements":3,"elements":["Y","Fe","O"],"chemical_system":"Fe-O-Y","density":5.152008954585647,"density_atomic":0.0820817227048214,"volume":255.84258356174195,"volume_molar":7.336762145766058,"formula_full":"Y3 Fe6 O12","formula_reduced":"Y(FeO2)2","formula_anonymous":"AB2C4","energy_above_hull":2.8641972071428565,"spacegroup":12},{"id":"jvasp-111786","created_at":"2022-09-04T14:38:41.368808Z","updated_at":"2022-09-04T14:38:41.368832Z","structure_string":"Sm2 Ga3 Fe14 C2\n1.0\n6.455406 0.017019 0.704723\n0.695744 6.417827 0.704723\n0.009456 0.008509 6.489862\nSm Ga Fe C\n2 3 14 2\ndirect\n0.351097 0.351097 0.332996 Sm\n0.648904 0.648904 0.667003 Sm\n0.000000 0.000000 0.500000 Ga\n-0.000000 0.500000 -0.000000 Ga\n0.500000 0.000000 -0.000000 Ga\n0.284801 0.715199 -0.000000 Fe\n0.001338 0.284716 0.714540 Fe\n0.715285 0.998663 0.285459 Fe\n0.998662 0.715285 0.285459 Fe\n0.284716 0.001338 0.714540 Fe\n0.715199 0.284802 -0.000001 Fe\n0.849812 0.347394 0.344237 Fe\n0.345424 0.345424 0.846945 Fe\n0.150188 0.652607 0.655762 Fe\n0.652607 0.150188 0.655761 Fe\n0.654576 0.654577 0.153054 Fe\n0.908068 0.908068 0.905197 Fe\n0.091933 0.091933 0.094801 Fe\n0.347394 0.849812 0.344237 Fe\n0.500001 0.000000 0.500000 C\n-0.000000 0.500000 0.500000 C\n","nsites":21,"nelements":4,"elements":["Sm","Ga","Fe","C"],"chemical_system":"C-Fe-Ga-Sm","density":8.130573059333218,"density_atomic":0.07814858951153836,"volume":268.718861482451,"volume_molar":7.706013374829821,"formula_full":"Sm2 Ga3 Fe14 C2","formula_reduced":"Sm2Ga3(Fe7C)2","formula_anonymous":"A2B2C3D14","energy_above_hull":3.7281691297619046,"spacegroup":12},{"id":"jvasp-27204","created_at":"2022-09-04T14:38:31.368139Z","updated_at":"2022-09-04T14:38:31.368149Z","structure_string":"Zr2 Fe12 P7\n1.0\n4.427001 -7.667790 -0.000000\n4.427001 7.667790 -0.000000\n-0.000000 -0.000000 3.599722\nZr Fe P\n2 12 7\ndirect\n0.333333 0.666667 0.000000 Zr\n0.666667 0.333333 0.500000 Zr\n0.902763 0.120311 0.500000 Fe\n0.879689 0.782453 0.500000 Fe\n0.217547 0.097237 0.500000 Fe\n0.052377 0.615274 0.500000 Fe\n0.384726 0.437104 0.500000 Fe\n0.562896 0.947622 0.500000 Fe\n0.120089 0.844117 0.000000 Fe\n0.155883 0.275972 0.000000 Fe\n0.938145 0.368410 0.000000 Fe\n0.631590 0.569736 0.000000 Fe\n0.430264 0.061854 0.000000 Fe\n0.724028 0.879911 0.000000 Fe\n0.596336 0.710594 0.500000 P\n0.413165 0.298751 0.000000 P\n0.885586 0.586835 0.000000 P\n0.701249 0.114414 0.000000 P\n0.114259 0.403664 0.500000 P\n0.289406 0.885741 0.500000 P\n0.000000 0.000000 0.000000 P\n","nsites":21,"nelements":3,"elements":["Zr","Fe","P"],"chemical_system":"Fe-P-Zr","density":7.266282008331945,"density_atomic":0.0859291481508249,"volume":244.38738718950518,"volume_molar":7.0082630743991485,"formula_full":"Zr2 Fe12 P7","formula_reduced":"Zr2Fe12P7","formula_anonymous":"A2B7C12","energy_above_hull":4.230505404761906,"spacegroup":174},{"id":"jvasp-119549","created_at":"2022-09-04T14:38:35.386989Z","updated_at":"2022-09-04T14:38:35.387016Z","structure_string":"Li1 V1 Cr1 P4 O14\n1.0\n4.576259 -0.005905 -1.461799\n-0.104196 7.938473 -0.034037\n-0.052974 -0.009015 6.939679\nLi V Cr P O\n1 1 1 4 14\ndirect\n0.838735 0.369713 0.321587 Li\n0.221380 0.507757 0.730432 V\n0.785987 0.999245 0.272798 Cr\n0.402046 0.176759 0.515347 P\n0.204836 0.780934 0.090522 P\n0.779552 0.277403 0.908480 P\n0.606330 0.686465 0.482326 P\n0.837647 0.547972 0.515207 O\n0.730977 0.862422 0.488354 O\n0.616495 0.188586 0.391983 O\n0.394424 0.936506 0.093845 O\n0.390582 0.645365 0.257974 O\n0.588490 0.141698 0.749262 O\n0.258567 0.350387 0.514494 O\n0.424527 0.670969 0.628423 O\n0.880139 0.190796 0.112420 O\n0.181070 0.034508 0.458399 O\n0.130164 0.676789 0.894026 O\n0.037085 0.330703 0.835669 O\n0.590575 0.430396 0.921187 O\n0.924373 0.816601 0.140096 O\n","nsites":21,"nelements":5,"elements":["Li","V","Cr","P","O"],"chemical_system":"Cr-Li-O-P-V","density":3.0225773278166055,"density_atomic":0.0835035229192669,"volume":251.48639561355125,"volume_molar":7.211840350523106,"formula_full":"Li1 V1 Cr1 P4 O14","formula_reduced":"LiVCr(P2O7)2","formula_anonymous":"ABCD4E14","energy_above_hull":3.2397215523809524,"spacegroup":1},{"id":"jvasp-116672","created_at":"2022-09-04T14:38:32.868668Z","updated_at":"2022-09-04T14:38:32.868694Z","structure_string":"Mo3 Cl18\n1.0\n10.401797 0.000000 0.000000\n-5.200899 9.008220 0.000000\n-0.000000 -0.000000 5.530763\nMo Cl\n3 18\ndirect\n0.000000 0.000000 0.000000 Mo\n0.333333 0.666667 0.503682 Mo\n0.666667 0.333333 0.496318 Mo\n0.562049 0.437952 0.254692 Cl\n0.437952 0.875903 0.745308 Cl\n0.124097 0.562048 0.745308 Cl\n0.437952 0.562048 0.745308 Cl\n0.771247 0.542495 0.737731 Cl\n0.457505 0.228753 0.737731 Cl\n0.771247 0.228753 0.737731 Cl\n0.228753 0.457505 0.262268 Cl\n0.542495 0.771247 0.262268 Cl\n0.228753 0.771247 0.262268 Cl\n0.895399 0.790796 0.241458 Cl\n0.209204 0.104602 0.241458 Cl\n0.895399 0.104602 0.241458 Cl\n0.104602 0.209204 0.758542 Cl\n0.790796 0.895398 0.758542 Cl\n0.104601 0.895398 0.758542 Cl\n0.875903 0.437952 0.254692 Cl\n0.562049 0.124097 0.254692 Cl\n","nsites":21,"nelements":2,"elements":["Mo","Cl"],"chemical_system":"Cl-Mo","density":2.9669859054189742,"density_atomic":0.04052162825224242,"volume":518.2417613941237,"volume_molar":14.861546832503556,"formula_full":"Mo3 Cl18","formula_reduced":"MoCl6","formula_anonymous":"AB6","energy_above_hull":0.9572529007142856,"spacegroup":164},{"id":"jvasp-112628","created_at":"2022-09-04T14:38:42.284793Z","updated_at":"2022-09-04T14:38:42.284810Z","structure_string":"Tb2 Fe17 C2\n1.0\n6.292368 0.012564 0.726286\n0.670974 6.256505 0.726286\n0.026401 0.023769 6.376387\nTb Fe C\n2 17 2\ndirect\n0.647322 0.647322 0.667811 Tb\n0.352677 0.352677 0.332191 Tb\n0.500000 -0.000000 0.000000 Fe\n-0.000000 0.500000 0.000000 Fe\n-0.000000 0.000000 0.500000 Fe\n0.724530 0.275470 0.000001 Fe\n0.997752 0.718854 0.282521 Fe\n0.281145 0.002248 0.717481 Fe\n0.002248 0.281145 0.717481 Fe\n0.718855 0.997751 0.282521 Fe\n0.275470 0.724529 0.000001 Fe\n0.146839 0.655942 0.661799 Fe\n0.655942 0.146839 0.661799 Fe\n0.656430 0.656429 0.140855 Fe\n0.853160 0.344057 0.338203 Fe\n0.344057 0.853159 0.338203 Fe\n0.343570 0.343570 0.859147 Fe\n0.092981 0.092981 0.090704 Fe\n0.907018 0.907017 0.909298 Fe\n0.500000 -0.000000 0.500001 C\n-0.000000 0.500000 0.500001 C\n","nsites":21,"nelements":3,"elements":["Tb","Fe","C"],"chemical_system":"C-Fe-Tb","density":8.550722060647844,"density_atomic":0.08374656282720867,"volume":250.75655992388081,"volume_molar":7.1909109540713585,"formula_full":"Tb2 Fe17 C2","formula_reduced":"Tb2Fe17C2","formula_anonymous":"A2B2C17","energy_above_hull":4.42172049047619,"spacegroup":12},{"id":"jvasp-26076","created_at":"2022-09-04T14:38:35.490817Z","updated_at":"2022-09-04T14:38:35.490831Z","structure_string":"Tm2 Ni12 P7\n1.0\n4.531742 -7.849207 0.000000\n4.531742 7.849207 0.000000\n-0.000000 -0.000000 3.680191\nTm Ni P\n2 12 7\ndirect\n0.666667 0.333333 0.500000 Tm\n0.333333 0.666667 0.000000 Tm\n0.906404 0.783145 0.500000 Ni\n0.876740 0.093595 0.500000 Ni\n0.216855 0.123259 0.500000 Ni\n0.050197 0.432617 0.500000 Ni\n0.382419 0.949802 0.500000 Ni\n0.567383 0.617580 0.500000 Ni\n0.121872 0.275390 0.000000 Ni\n0.153518 0.878128 0.000000 Ni\n0.937404 0.564910 0.000000 Ni\n0.627507 0.062596 0.000000 Ni\n0.435089 0.372493 0.000000 Ni\n0.724610 0.846482 0.000000 Ni\n0.293955 0.406729 0.500000 P\n0.000000 0.000000 0.000000 P\n0.409204 0.114326 0.000000 P\n0.885674 0.294877 0.000000 P\n0.705122 0.590795 0.000000 P\n0.112774 0.706045 0.500000 P\n0.593271 0.887226 0.500000 P\n","nsites":21,"nelements":3,"elements":["Tm","Ni","P"],"chemical_system":"Ni-P-Tm","density":7.985193224846333,"density_atomic":0.08020990111226017,"volume":261.8130643324048,"volume_molar":7.5079767915079865,"formula_full":"Tm2 Ni12 P7","formula_reduced":"Tm2Ni12P7","formula_anonymous":"A2B7C12","energy_above_hull":2.1361998,"spacegroup":174}]}