{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=4580","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=4578","results":[{"id":"jvasp-20827","created_at":"2022-09-04T14:38:29.780381Z","updated_at":"2022-09-04T14:38:29.780417Z","structure_string":"Pr6 Sb10 O24\n1.0\n9.091650 -0.000000 -3.214384\n-4.545825 7.873600 -3.214384\n0.000000 0.000000 9.643151\nPr Sb O\n6 10 24\ndirect\n0.500000 0.250000 0.750000 Pr\n0.500000 0.750000 0.250001 Pr\n0.250000 0.750000 0.500000 Pr\n0.750000 0.500000 0.250001 Pr\n0.250000 0.500000 0.750000 Pr\n0.750000 0.250000 0.500000 Pr\n0.277642 0.277642 0.000000 Sb\n0.722358 0.722358 0.000001 Sb\n0.000000 0.722358 0.722358 Sb\n0.000000 0.277642 0.277642 Sb\n0.722358 0.000000 0.722358 Sb\n0.508283 0.508282 0.508283 Sb\n0.491718 0.000000 0.000000 Sb\n0.000000 0.491718 0.000000 Sb\n-0.000000 -0.000000 0.491718 Sb\n0.277642 0.000000 0.277642 Sb\n0.486937 0.289493 0.000000 O\n0.289493 0.486937 0.000000 O\n0.000000 0.289493 0.486937 O\n0.000000 0.486937 0.289493 O\n0.196689 0.196689 0.724683 O\n0.486937 0.000000 0.289493 O\n0.472006 0.275317 0.472006 O\n0.275317 0.472006 0.472006 O\n0.000000 0.527994 0.803311 O\n0.527994 -0.000000 0.803311 O\n0.803311 0.000000 0.527994 O\n0.196689 0.724683 0.196689 O\n0.724683 0.196689 0.196689 O\n0.710507 0.197444 0.710507 O\n0.000000 0.803311 0.527994 O\n0.527994 0.803311 0.000001 O\n0.472006 0.472006 0.275318 O\n0.197444 0.710507 0.710507 O\n0.513063 0.513063 0.802556 O\n0.513063 0.802556 0.513063 O\n0.289493 -0.000000 0.486937 O\n0.802556 0.513063 0.513063 O\n0.803311 0.527994 0.000001 O\n0.710507 0.710507 0.197445 O\n","nsites":40,"nelements":3,"elements":["Pr","Sb","O"],"chemical_system":"O-Pr-Sb","density":5.886452365845195,"density_atomic":0.05794620091552596,"volume":690.2954700742513,"volume_molar":10.39264121694377,"formula_full":"Pr6 Sb10 O24","formula_reduced":"Pr3Sb5O12","formula_anonymous":"A3B5C12","energy_above_hull":2.5418326025,"spacegroup":217},{"id":"jvasp-29304","created_at":"2022-09-04T14:38:07.589878Z","updated_at":"2022-09-04T14:38:07.589908Z","structure_string":"Nb12 Si4 Te24\n1.0\n6.442061 -0.000000 0.000000\n0.000000 11.661681 0.000000\n0.000000 0.000000 14.238720\nNb Si Te\n12 4 24\ndirect\n0.168792 0.835104 0.250000 Nb\n0.668792 0.664895 0.250000 Nb\n0.331208 0.335105 0.750000 Nb\n0.831208 0.164895 0.750000 Nb\n0.695932 0.967882 0.250000 Nb\n0.195932 0.532118 0.250000 Nb\n0.804068 0.467882 0.750000 Nb\n0.304068 0.032118 0.750000 Nb\n0.969140 0.312052 0.250000 Nb\n0.469140 0.187948 0.250000 Nb\n0.530860 0.812052 0.750000 Nb\n0.030860 0.687948 0.750000 Nb\n0.924500 0.925212 0.750000 Si\n0.424500 0.574788 0.750000 Si\n0.575500 0.425212 0.250000 Si\n0.075500 0.074788 0.250000 Si\n0.144791 0.497694 0.879038 Te\n0.644791 0.002306 0.620962 Te\n0.644791 0.002306 0.879038 Te\n0.144791 0.497694 0.620962 Te\n0.855208 0.502306 0.120962 Te\n0.355208 0.997694 0.379038 Te\n0.796420 0.156318 0.117334 Te\n0.296421 0.343682 0.382666 Te\n0.703579 0.656318 0.882666 Te\n0.203579 0.843682 0.617334 Te\n0.203579 0.843682 0.882666 Te\n0.151087 0.182081 0.884137 Te\n0.296421 0.343682 0.117334 Te\n0.796420 0.156318 0.382666 Te\n0.848913 0.817919 0.115863 Te\n0.348913 0.682081 0.384137 Te\n0.651087 0.317919 0.884137 Te\n0.151087 0.182081 0.615863 Te\n0.855208 0.502306 0.379038 Te\n0.651087 0.317919 0.615863 Te\n0.348913 0.682081 0.115863 Te\n0.848913 0.817919 0.384137 Te\n0.703579 0.656318 0.617334 Te\n0.355208 0.997694 0.120962 Te\n","nsites":40,"nelements":3,"elements":["Nb","Si","Te"],"chemical_system":"Nb-Si-Te","density":6.659027879639097,"density_atomic":0.037394097091755625,"volume":1069.6875472577972,"volume_molar":16.104522447014016,"formula_full":"Nb12 Si4 Te24","formula_reduced":"Nb3SiTe6","formula_anonymous":"AB3C6","energy_above_hull":2.96049034,"spacegroup":62},{"id":"jvasp-23432","created_at":"2022-09-04T14:38:14.631998Z","updated_at":"2022-09-04T14:38:14.632026Z","structure_string":"Mg8 Bi4 P4 O24\n1.0\n5.327559 -0.000000 0.000000\n-0.000000 7.852421 0.000000\n0.000000 0.000000 11.939782\nMg Bi P O\n8 4 4 24\ndirect\n0.750000 0.810629 0.599115 Mg\n0.750000 0.296996 0.093230 Mg\n0.750000 0.203004 0.593230 Mg\n0.250000 0.310630 0.900885 Mg\n0.250000 0.796996 0.406770 Mg\n0.250000 0.703004 0.906770 Mg\n0.250000 0.189370 0.400885 Mg\n0.750000 0.689370 0.099115 Mg\n0.250000 0.489293 0.599047 Bi\n0.250000 0.010707 0.099047 Bi\n0.750000 0.510707 0.400952 Bi\n0.750000 0.989293 0.900952 Bi\n0.750000 0.979147 0.301740 P\n0.250000 0.479147 0.198260 P\n0.250000 0.020853 0.698260 P\n0.750000 0.520853 0.801740 P\n0.750000 0.378591 0.713506 O\n0.992832 0.993239 0.374956 O\n0.492832 0.006761 0.625044 O\n0.498104 0.174166 0.994170 O\n0.750000 0.698807 0.747351 O\n0.250000 0.198807 0.752649 O\n0.507168 0.993239 0.374956 O\n0.001896 0.174166 0.994170 O\n0.007168 0.493239 0.125044 O\n0.998104 0.674166 0.505830 O\n0.998104 0.825834 0.005830 O\n0.007168 0.006761 0.625044 O\n0.250000 0.621409 0.286494 O\n0.250000 0.301193 0.252649 O\n0.750000 0.121409 0.213506 O\n0.750000 0.801193 0.247351 O\n0.250000 0.878591 0.786494 O\n0.992832 0.506761 0.874956 O\n0.507168 0.506761 0.874956 O\n0.001896 0.325834 0.494170 O\n0.501897 0.674166 0.505830 O\n0.498104 0.325834 0.494170 O\n0.492832 0.493239 0.125044 O\n0.501897 0.825834 0.005830 O\n","nsites":40,"nelements":4,"elements":["Mg","Bi","P","O"],"chemical_system":"Bi-Mg-O-P","density":5.113821813652732,"density_atomic":0.08008141717355233,"volume":499.49166001036247,"volume_molar":7.520022712571164,"formula_full":"Mg8 Bi4 P4 O24","formula_reduced":"Mg2BiPO6","formula_anonymous":"ABC2D6","energy_above_hull":1.7447658900000005,"spacegroup":62},{"id":"jvasp-22950","created_at":"2022-09-04T14:38:07.995021Z","updated_at":"2022-09-04T14:38:07.995033Z","structure_string":"Lu12 O8 F20\n1.0\n5.223608 -0.000000 0.000000\n0.000000 5.504654 0.000000\n0.000000 0.000000 16.805387\nLu O F\n12 8 20\ndirect\n0.538656 0.173535 0.902840 Lu\n0.038656 0.326464 0.097160 Lu\n0.961345 0.673535 0.597160 Lu\n0.461344 0.826464 0.402840 Lu\n0.461344 0.826464 0.097160 Lu\n0.961345 0.673535 0.902840 Lu\n0.038656 0.326464 0.402840 Lu\n0.538656 0.173535 0.597160 Lu\n0.956700 0.239298 0.750000 Lu\n0.456700 0.260702 0.250000 Lu\n0.543301 0.739298 0.750000 Lu\n0.043300 0.760701 0.250000 Lu\n0.299264 0.537002 0.168476 O\n0.799264 0.962997 0.831524 O\n0.799264 0.962997 0.668476 O\n0.200737 0.037003 0.331524 O\n0.700737 0.462997 0.831524 O\n0.200737 0.037003 0.168476 O\n0.700737 0.462997 0.668476 O\n0.299264 0.537002 0.331524 O\n0.217213 0.615889 0.486278 F\n0.717213 0.884110 0.513722 F\n0.717213 0.884110 0.986278 F\n0.217213 0.615889 0.013722 F\n0.782788 0.384110 0.513722 F\n0.282787 0.115889 0.486278 F\n0.641669 0.888703 0.250000 F\n0.358331 0.111296 0.750000 F\n0.858331 0.388703 0.250000 F\n0.673653 0.163917 0.374618 F\n0.326348 0.836082 0.874618 F\n0.141669 0.611296 0.750000 F\n0.826348 0.663917 0.125382 F\n0.173652 0.336082 0.874618 F\n0.673653 0.163917 0.125382 F\n0.326348 0.836082 0.625383 F\n0.826348 0.663917 0.374618 F\n0.782788 0.384110 0.986278 F\n0.173652 0.336082 0.625383 F\n0.282787 0.115889 0.013722 F\n","nsites":40,"nelements":3,"elements":["Lu","O","F"],"chemical_system":"F-Lu-O","density":8.960567074724851,"density_atomic":0.08277722607897034,"volume":483.22469711463367,"volume_molar":7.275117861831725,"formula_full":"Lu12 O8 F20","formula_reduced":"Lu3O2F5","formula_anonymous":"A2B3C5","energy_above_hull":0.5404985662499997,"spacegroup":62},{"id":"jvasp-29411","created_at":"2022-09-04T14:37:06.446936Z","updated_at":"2022-09-04T14:37:06.446956Z","structure_string":"Tm4 Te10 O26\n1.0\n6.870320 -0.001477 0.379395\n2.222165 8.306999 0.166107\n-0.017211 -0.008288 10.504964\nTm Te O\n4 10 26\ndirect\n0.446742 0.467902 0.819063 Tm\n0.553259 0.532098 0.180937 Tm\n0.000362 0.263235 0.761412 Tm\n0.999639 0.736764 0.238587 Tm\n0.871261 0.652885 0.895013 Te\n0.128740 0.347114 0.104986 Te\n0.158856 0.803120 0.633756 Te\n0.709151 0.118086 0.029582 Te\n0.564158 0.090246 0.695621 Te\n0.727830 0.604880 0.521302 Te\n0.290850 0.881914 0.970418 Te\n0.435843 0.909753 0.304379 Te\n0.272170 0.395120 0.478697 Te\n0.841145 0.196879 0.366244 Te\n0.530164 0.326846 0.000642 O\n0.875307 0.511238 0.105937 O\n0.040664 0.350685 0.564464 O\n0.659586 0.488512 0.384686 O\n0.346890 0.992207 0.123257 O\n0.068193 0.266929 0.281942 O\n0.762111 0.501084 0.813734 O\n0.237890 0.498916 0.186266 O\n0.538801 0.810915 0.487656 O\n0.931808 0.733071 0.718057 O\n0.666433 0.261869 0.228756 O\n0.943576 0.179557 0.962843 O\n0.461200 0.189084 0.512344 O\n0.671624 0.776608 0.223157 O\n0.124694 0.488761 0.894063 O\n0.066044 0.018511 0.688729 O\n0.469837 0.673154 0.999357 O\n0.933957 0.981489 0.311271 O\n0.687942 0.261469 0.710886 O\n0.328377 0.223391 0.776842 O\n0.056425 0.820443 0.037156 O\n0.340415 0.511487 0.615313 O\n0.653111 0.007792 0.876742 O\n0.312059 0.738530 0.289114 O\n0.959337 0.649315 0.435535 O\n0.333568 0.738130 0.771243 O\n","nsites":40,"nelements":3,"elements":["Tm","Te","O"],"chemical_system":"O-Te-Tm","density":6.556890316431076,"density_atomic":0.0667080495456882,"volume":599.6277851386449,"volume_molar":9.027607314279889,"formula_full":"Tm4 Te10 O26","formula_reduced":"Tm2Te5O13","formula_anonymous":"A2B5C13","energy_above_hull":2.3452041416666667,"spacegroup":2},{"id":"jvasp-101798","created_at":"2022-09-04T14:37:06.779302Z","updated_at":"2022-09-04T14:37:06.779321Z","structure_string":"H16 C20 S4\n1.0\n4.672285 -0.047352 -0.150483\n-1.002892 8.226195 -2.598129\n-0.032376 -0.007258 10.753478\nH C S\n16 20 4\ndirect\n0.620771 0.882831 0.854226 H\n0.160768 0.511884 0.056157 H\n0.660770 0.511882 0.556159 H\n0.910769 0.011883 0.306158 H\n0.966516 0.085577 0.597117 H\n0.466511 0.085581 0.097116 H\n0.716513 0.585579 0.847116 H\n0.216513 0.585579 0.347116 H\n0.410768 0.011882 0.806159 H\n0.845802 0.338458 0.223554 H\n0.095803 0.838456 0.973553 H\n0.595803 0.838456 0.473554 H\n0.370769 0.382832 0.104226 H\n0.870773 0.382830 0.604226 H\n0.120769 0.882832 0.354226 H\n0.345804 0.338454 0.723553 H\n0.465534 0.802193 0.656045 C\n0.965534 0.802194 0.156044 C\n0.715534 0.302193 0.406045 C\n0.215532 0.302193 0.906044 C\n0.838857 0.438267 0.525252 C\n0.088855 0.938268 0.275252 C\n0.338855 0.438268 0.025252 C\n0.851523 0.059513 0.784705 C\n0.588856 0.938267 0.775252 C\n0.351521 0.059514 0.284704 C\n0.002333 0.129127 0.703421 C\n0.101522 0.559513 0.534705 C\n0.209741 0.267405 0.772560 C\n0.709740 0.267407 0.272560 C\n0.959742 0.767407 0.022560 C\n0.459740 0.767406 0.522560 C\n0.502332 0.129129 0.203421 C\n0.752332 0.629128 0.953421 C\n0.252333 0.629128 0.453421 C\n0.601522 0.559514 0.034705 C\n0.471685 0.161725 0.445515 S\n0.221685 0.661725 0.695516 S\n0.721685 0.661727 0.195516 S\n0.971684 0.161727 0.945516 S\n","nsites":40,"nelements":3,"elements":["H","C","S"],"chemical_system":"C-H-S","density":1.5476025201545962,"density_atomic":0.09693036940433096,"volume":412.6673636530344,"volume_molar":6.212852377441702,"formula_full":"H16 C20 S4","formula_reduced":"H4C5S","formula_anonymous":"AB4C5","energy_above_hull":5.083042,"spacegroup":8},{"id":"jvasp-60063","created_at":"2022-09-04T14:37:33.242186Z","updated_at":"2022-09-04T14:37:33.242204Z","structure_string":"Si16 N16 O8\n1.0\n5.360716 0.000000 -1.226025\n-0.280399 5.353377 -1.226025\n-0.002899 -0.003054 12.320029\nSi N O\n16 16 8\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.500000 -0.000000 -0.000000 Si\n0.956112 0.206112 0.412222 Si\n0.706112 0.456113 0.912222 Si\n0.043888 0.793889 0.587777 Si\n0.293888 0.543889 0.087777 Si\n0.331890 0.332104 0.664206 Si\n0.832104 0.831890 0.164206 Si\n0.832104 0.332318 0.164206 Si\n0.167682 0.667897 0.335793 Si\n0.668111 0.667897 0.335793 Si\n0.167897 0.667683 0.835793 Si\n0.167897 0.168111 0.835793 Si\n0.832318 0.332104 0.664206 Si\n0.500000 0.500001 0.500000 Si\n0.262426 0.749396 0.498790 N\n0.087201 0.573880 0.674402 N\n0.249396 0.762427 0.998790 N\n0.399477 0.412800 0.825597 N\n0.249396 0.236366 0.998790 N\n0.263635 0.250605 0.501209 N\n0.736366 0.749396 0.498790 N\n0.750605 0.763635 0.001209 N\n0.912799 0.899478 0.325597 N\n0.912799 0.426121 0.325597 N\n0.073879 0.587202 0.174402 N\n0.600523 0.587202 0.174402 N\n0.750605 0.237574 0.001209 N\n0.087201 0.100524 0.674403 N\n0.926121 0.412800 0.825597 N\n0.737574 0.250605 0.501209 N\n0.576535 0.541464 0.653068 O\n0.958537 0.923467 0.846931 O\n0.423466 0.458537 0.346931 O\n0.423466 0.888396 0.346931 O\n0.611606 0.076534 0.153068 O\n0.576535 0.111606 0.653068 O\n0.041463 0.076534 0.153069 O\n0.388395 0.923467 0.846931 O\n","nsites":40,"nelements":3,"elements":["Si","N","O"],"chemical_system":"N-O-Si","density":3.764640814994613,"density_atomic":0.11314801847490992,"volume":353.51922675402244,"volume_molar":5.322356362197702,"formula_full":"Si16 N16 O8","formula_reduced":"Si2N2O","formula_anonymous":"AB2C2","energy_above_hull":3.73209344,"spacegroup":141},{"id":"jvasp-23722","created_at":"2022-09-04T14:37:34.033452Z","updated_at":"2022-09-04T14:37:34.033478Z","structure_string":"Yb6 Sb10 O24\n1.0\n8.514199 -0.000000 -3.010224\n-4.257099 7.373512 -3.010224\n0.000000 0.000000 9.030671\nYb Sb O\n6 10 24\ndirect\n0.500000 0.750000 0.250000 Yb\n0.250000 0.500000 0.750000 Yb\n0.250000 0.750000 0.500000 Yb\n0.750000 0.250000 0.500000 Yb\n0.750000 0.500000 0.250000 Yb\n0.500000 0.250000 0.750000 Yb\n0.499996 0.499996 0.499997 Sb\n-0.000000 -0.000000 0.500004 Sb\n0.251865 0.251865 0.000000 Sb\n-0.000000 0.500004 0.000000 Sb\n0.748135 0.748135 0.000001 Sb\n0.251865 -0.000000 0.251865 Sb\n-0.000000 0.251865 0.251865 Sb\n0.500004 0.000000 0.000000 Sb\n-0.000000 0.748135 0.748135 Sb\n0.748135 -0.000000 0.748136 Sb\n-0.000000 0.217716 0.467880 O\n0.467872 0.467872 0.250164 O\n0.250163 0.467872 0.467872 O\n0.782292 0.532128 0.000001 O\n0.782292 -0.000000 0.532129 O\n0.217716 0.467880 0.000000 O\n-0.000000 0.467880 0.217716 O\n-0.000000 0.532128 0.782292 O\n-0.000000 0.782291 0.532128 O\n0.782284 0.250164 0.782284 O\n0.250164 0.782284 0.782284 O\n0.749837 0.217708 0.217709 O\n0.467880 0.217716 0.000000 O\n0.532128 -0.000000 0.782292 O\n0.532120 0.749836 0.532120 O\n0.532128 0.782291 0.000001 O\n0.217708 0.749836 0.217709 O\n0.467872 0.250163 0.467872 O\n0.467880 -0.000000 0.217716 O\n0.217708 0.217708 0.749837 O\n0.217716 -0.000000 0.467880 O\n0.782284 0.782284 0.250165 O\n0.532120 0.532120 0.749836 O\n0.749836 0.532120 0.532120 O\n","nsites":40,"nelements":3,"elements":["Yb","Sb","O"],"chemical_system":"O-Sb-Yb","density":7.73189815852081,"density_atomic":0.07055402306680887,"volume":566.94144800394,"volume_molar":8.53550300639487,"formula_full":"Yb6 Sb10 O24","formula_reduced":"Yb3Sb5O12","formula_anonymous":"A3B5C12","energy_above_hull":2.0813047300000003,"spacegroup":229},{"id":"jvasp-27812","created_at":"2022-09-04T14:37:10.660807Z","updated_at":"2022-09-04T14:37:10.660823Z","structure_string":"Rb6 As2 Se32\n1.0\n10.254503 0.000000 5.920440\n3.418168 9.668038 5.920440\n0.000000 0.000000 11.840880\nRb As Se\n6 2 32\ndirect\n-0.000000 -0.000000 0.500000 Rb\n0.000000 0.500000 -0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.625000 0.625000 0.625000 Rb\n0.375000 0.375000 0.375000 Rb\n0.500000 -0.000000 0.000000 Rb\n0.125000 0.125000 0.125000 As\n0.875000 0.875000 0.875000 As\n0.468331 0.053611 0.303582 Se\n0.053611 0.468331 0.674476 Se\n0.674476 0.468331 0.303582 Se\n0.674476 0.053611 0.468331 Se\n0.468331 0.303582 0.674476 Se\n0.303582 0.468331 0.053611 Se\n0.468331 0.674476 0.053611 Se\n0.303582 0.053611 0.674476 Se\n0.053611 0.674476 0.303582 Se\n0.674476 0.303582 0.053611 Se\n0.696418 0.325524 0.531669 Se\n0.531669 0.946389 0.696418 Se\n0.946389 0.531669 0.325524 Se\n0.325524 0.531669 0.696418 Se\n0.303582 0.674476 0.468331 Se\n0.325524 0.946389 0.531669 Se\n0.531669 0.696418 0.325524 Se\n0.696418 0.531669 0.946389 Se\n0.053611 0.303582 0.468331 Se\n0.696418 0.946389 0.325524 Se\n0.946389 0.325524 0.696418 Se\n0.325524 0.696418 0.946389 Se\n0.793281 0.793281 0.793281 Se\n0.120157 0.793281 0.793281 Se\n0.793281 0.793281 0.120156 Se\n0.793281 0.120156 0.793281 Se\n0.206719 0.206719 0.206719 Se\n0.879844 0.206719 0.206719 Se\n0.206719 0.206719 0.879845 Se\n0.206719 0.879845 0.206719 Se\n0.946389 0.696418 0.531669 Se\n0.531669 0.325524 0.946389 Se\n","nsites":40,"nelements":3,"elements":["Rb","As","Se"],"chemical_system":"As-Rb-Se","density":4.511459440430067,"density_atomic":0.03407399429064625,"volume":1173.9157921670637,"volume_molar":17.673715352042407,"formula_full":"Rb6 As2 Se32","formula_reduced":"Rb3AsSe16","formula_anonymous":"AB3C16","energy_above_hull":1.358622780833333,"spacegroup":203},{"id":"jvasp-22772","created_at":"2022-09-04T14:37:51.953899Z","updated_at":"2022-09-04T14:37:51.953930Z","structure_string":"Pr16 O24\n1.0\n9.206191 -0.000000 -3.254880\n-4.603095 7.972796 -3.254880\n0.000000 -0.000000 9.764640\nPr O\n16 24\ndirect\n0.500000 0.500000 0.500000 Pr\n0.250000 0.719917 0.469917 Pr\n0.030083 0.750000 0.780083 Pr\n0.780083 0.030083 0.750000 Pr\n0.469917 0.250000 0.719917 Pr\n0.719917 0.469917 0.250000 Pr\n0.750000 0.280083 0.530083 Pr\n0.750000 0.780084 0.030083 Pr\n0.219917 0.969917 0.250000 Pr\n0.530083 0.750000 0.280083 Pr\n0.280083 0.530083 0.750000 Pr\n0.250000 0.219917 0.969917 Pr\n-0.000000 0.500000 0.000000 Pr\n0.500000 0.000000 -0.000000 Pr\n0.969917 0.250000 0.219917 Pr\n0.000000 0.000000 0.500000 Pr\n0.959784 0.728891 0.987591 O\n0.540216 0.527807 0.769107 O\n0.241300 0.972194 0.512409 O\n0.730893 0.258700 0.771109 O\n0.027807 0.487591 0.758700 O\n0.987590 0.959784 0.728891 O\n0.228891 0.269107 0.741300 O\n0.271109 0.012409 0.040216 O\n0.230893 0.459784 0.472193 O\n0.459784 0.472193 0.230893 O\n0.758700 0.027807 0.487591 O\n0.269107 0.741300 0.228891 O\n0.040216 0.271109 0.012409 O\n0.258700 0.771110 0.730893 O\n0.487591 0.758700 0.027807 O\n0.012409 0.040216 0.271109 O\n0.472193 0.230893 0.459784 O\n0.972193 0.512410 0.241300 O\n0.771109 0.730894 0.258700 O\n0.728890 0.987591 0.959784 O\n0.769107 0.540216 0.527807 O\n0.527807 0.769107 0.540216 O\n0.741300 0.228891 0.269107 O\n0.512409 0.241300 0.972193 O\n","nsites":40,"nelements":2,"elements":["Pr","O"],"chemical_system":"O-Pr","density":6.1130879406669365,"density_atomic":0.05581014129148278,"volume":716.7156196772507,"volume_molar":10.790405866467575,"formula_full":"Pr16 O24","formula_reduced":"Pr2O3","formula_anonymous":"A2B3","energy_above_hull":1.6348626999999998,"spacegroup":206},{"id":"jvasp-22737","created_at":"2022-09-04T14:37:37.982750Z","updated_at":"2022-09-04T14:37:37.982769Z","structure_string":"Si24 Os16\n1.0\n5.662492 0.000000 0.000000\n0.000000 9.057985 0.000000\n0.000000 0.000000 11.318249\nSi Os\n24 16\ndirect\n0.601913 0.107392 0.370242 Si\n0.554212 0.205986 0.074173 Si\n0.054213 0.294014 0.425827 Si\n0.945787 0.205986 0.925827 Si\n0.445787 0.294014 0.574173 Si\n0.945787 0.705986 0.574173 Si\n0.054213 0.794015 0.074173 Si\n0.554212 0.705986 0.425827 Si\n0.907965 0.563971 0.318488 Si\n0.407965 0.936030 0.181512 Si\n0.592034 0.563971 0.681512 Si\n0.092034 0.936030 0.818488 Si\n0.445787 0.794015 0.925827 Si\n0.592034 0.063971 0.818488 Si\n0.092034 0.436030 0.681512 Si\n0.101913 0.392608 0.129758 Si\n0.898086 0.107392 0.629758 Si\n0.398087 0.892608 0.629758 Si\n0.398087 0.392608 0.870242 Si\n0.101913 0.892608 0.370242 Si\n0.601913 0.607393 0.129758 Si\n0.907965 0.063971 0.181512 Si\n0.407965 0.436030 0.318488 Si\n0.898086 0.607393 0.870242 Si\n0.738996 0.813277 0.755424 Os\n0.761003 0.313277 0.255424 Os\n0.238996 0.686724 0.744576 Os\n0.238996 0.186723 0.755424 Os\n0.738996 0.313277 0.744576 Os\n0.261003 0.186723 0.244576 Os\n0.750000 0.963376 0.000000 Os\n0.250000 0.076176 0.500000 Os\n0.250000 0.036624 0.000000 Os\n0.750000 0.463376 0.500000 Os\n0.750000 0.423824 0.000000 Os\n0.250000 0.576177 0.000000 Os\n0.750000 0.923824 0.500000 Os\n0.261003 0.686724 0.255424 Os\n0.250000 0.536625 0.500000 Os\n0.761003 0.813277 0.244576 Os\n","nsites":40,"nelements":2,"elements":["Si","Os"],"chemical_system":"Os-Si","density":10.634295750863089,"density_atomic":0.06890354217818681,"volume":580.5216790823133,"volume_molar":8.739958164163097,"formula_full":"Si24 Os16","formula_reduced":"Si3Os2","formula_anonymous":"A2B3","energy_above_hull":4.472429160000001,"spacegroup":60},{"id":"jvasp-22824","created_at":"2022-09-04T14:37:34.128316Z","updated_at":"2022-09-04T14:37:34.128343Z","structure_string":"Sm6 Si12 N22\n1.0\n10.059069 -0.000000 -0.000000\n-0.000000 10.059069 0.000000\n-0.000000 -0.000000 4.887237\nSm Si N\n6 12 22\ndirect\n0.500000 0.500000 0.983002 Sm\n0.000000 0.000000 0.983002 Sm\n0.817902 0.317902 0.998498 Sm\n0.317902 0.182098 0.998498 Sm\n0.682098 0.817902 0.998498 Sm\n0.182098 0.682098 0.998498 Sm\n0.078887 0.208975 0.531875 Si\n0.208975 0.921113 0.531875 Si\n0.791025 0.078887 0.531875 Si\n0.921113 0.791025 0.531875 Si\n0.421113 0.708975 0.531875 Si\n0.578887 0.291025 0.531875 Si\n0.708975 0.578887 0.531875 Si\n0.618036 0.118036 0.042981 Si\n0.118036 0.381964 0.042981 Si\n0.881964 0.618036 0.042981 Si\n0.381964 0.881964 0.042981 Si\n0.291025 0.421113 0.531875 Si\n0.773602 0.077493 0.177643 N\n0.080000 0.819629 0.649118 N\n0.180371 0.080000 0.649118 N\n0.680371 0.420000 0.649118 N\n0.319629 0.580000 0.649118 N\n0.420000 0.319629 0.649118 N\n0.580000 0.680371 0.649118 N\n0.077493 0.226398 0.177643 N\n0.226398 0.922507 0.177643 N\n0.922507 0.773602 0.177643 N\n0.000000 0.500000 0.077061 N\n0.422507 0.726398 0.177643 N\n0.273602 0.422507 0.177643 N\n0.726398 0.577493 0.177643 N\n0.652179 0.152179 0.695489 N\n0.152179 0.347821 0.695489 N\n0.847821 0.652179 0.695489 N\n0.347821 0.847821 0.695489 N\n0.920001 0.180371 0.649118 N\n0.500000 0.000000 0.077061 N\n0.577493 0.273602 0.177643 N\n0.819629 0.920001 0.649118 N\n","nsites":40,"nelements":3,"elements":["Sm","Si","N"],"chemical_system":"N-Si-Sm","density":5.195819112586061,"density_atomic":0.08088742625294505,"volume":494.5144363342087,"volume_molar":7.4450888586416575,"formula_full":"Sm6 Si12 N22","formula_reduced":"Sm3Si6N11","formula_anonymous":"A3B6C11","energy_above_hull":4.991802198749999,"spacegroup":100}]}