{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=104","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=102","results":[{"id":"jvasp-107757","created_at":"2022-09-04T14:38:49.382528Z","updated_at":"2022-09-04T14:38:49.382555Z","structure_string":"Ge2 Sb2 Te5\n1.0\n5.738308 0.006559 4.927405\n2.459491 5.184508 4.927405\n0.067821 0.042946 9.786685\nGe Sb Te\n2 2 5\ndirect\n0.508821 0.508821 0.006624 Ge\n0.720952 0.720953 0.199675 Ge\n0.888889 0.888890 0.429402 Sb\n0.108284 0.108285 0.578193 Sb\n0.588859 0.588860 0.599082 Te\n0.786554 0.786556 0.811524 Te\n-0.002149 -0.002149 -0.003584 Te\n0.199227 0.199227 0.190389 Te\n0.400562 0.400562 0.388700 Te\n","nsites":9,"nelements":3,"elements":["Ge","Sb","Te"],"chemical_system":"Ge-Sb-Te","density":5.90849146178921,"density_atomic":0.031187758616092888,"volume":288.57476136024724,"volume_molar":19.309309252164642,"formula_full":"Ge2 Sb2 Te5","formula_reduced":"Ge2Sb2Te5","formula_anonymous":"A2B2C5","energy_above_hull":1.225000325925926,"spacegroup":8},{"id":"jvasp-116780","created_at":"2022-09-04T14:38:44.388197Z","updated_at":"2022-09-04T14:38:44.388214Z","structure_string":"Ca4 Mn4 O10\n1.0\n3.803073 -0.000000 0.000000\n0.000000 5.400960 0.000000\n-0.000000 -0.000000 10.185382\nCa Mn O\n4 4 10\ndirect\n0.500000 0.689283 0.867335 Ca\n0.500000 0.310717 0.132665 Ca\n0.500000 0.189283 0.632665 Ca\n0.500000 0.810717 0.367335 Ca\n-0.000000 0.716691 0.619163 Mn\n-0.000000 0.283309 0.380837 Mn\n-0.000000 0.783309 0.119163 Mn\n-0.000000 0.216691 0.880837 Mn\n0.500000 0.706493 0.601487 O\n-0.000000 0.417360 0.714518 O\n0.500000 0.206493 0.898513 O\n0.500000 0.793507 0.101487 O\n0.000000 0.000000 0.500000 O\n-0.000000 0.082640 0.214518 O\n-0.000000 0.582641 0.285482 O\n-0.000000 0.500000 -0.000000 O\n-0.000000 0.917360 0.785482 O\n0.500000 0.293507 0.398513 O\n","nsites":18,"nelements":3,"elements":["Ca","Mn","O"],"chemical_system":"Ca-Mn-O","density":4.286538232035518,"density_atomic":0.0860378522692656,"volume":209.21024322721215,"volume_molar":6.999408517489491,"formula_full":"Ca4 Mn4 O10","formula_reduced":"Ca2Mn2O5","formula_anonymous":"A2B2C5","energy_above_hull":2.3072869803065137,"spacegroup":55},{"id":"jvasp-30641","created_at":"2022-09-04T14:37:29.391347Z","updated_at":"2022-09-04T14:37:29.391365Z","structure_string":"Se2 Cl2 O5\n1.0\n3.639838 -0.000000 -0.588558\n-0.095169 3.638593 -0.588558\n-0.152318 -0.156354 10.607281\nSe Cl O\n2 2 5\ndirect\n0.087564 0.087564 0.175127 Se\n0.912436 0.912436 0.824873 Se\n0.208006 0.208007 0.416012 Cl\n0.791993 0.791993 0.583987 Cl\n0.399966 0.899967 0.799932 O\n0.899967 0.399967 0.799932 O\n0.600034 0.100033 0.200068 O\n0.100033 0.600033 0.200067 O\n0.000000 0.000000 0.000000 O\n","nsites":9,"nelements":3,"elements":["Se","Cl","O"],"chemical_system":"Cl-O-Se","density":3.6678794706772835,"density_atomic":0.06437227092441167,"volume":139.81175233926635,"volume_molar":9.35517836099246,"formula_full":"Se2 Cl2 O5","formula_reduced":"Se2Cl2O5","formula_anonymous":"A2B2C5","energy_above_hull":1.9840235964814812,"spacegroup":139},{"id":"jvasp-10136","created_at":"2022-09-04T14:36:52.400582Z","updated_at":"2022-09-04T14:36:52.400606Z","structure_string":"Tl4 Sn4 S10\n1.0\n6.584469 0.024624 1.769976\n2.004383 6.272024 1.769976\n-0.051172 -0.037516 11.663986\nTl Sn S\n4 4 10\ndirect\n0.548703 0.892460 0.683140 Tl\n0.451298 0.107538 0.316861 Tl\n0.892461 0.548701 0.183140 Tl\n0.107539 0.451297 0.816861 Tl\n0.748717 0.064864 0.940689 Sn\n0.935135 0.251283 0.559312 Sn\n0.251284 0.935134 0.059312 Sn\n0.064865 0.748715 0.440689 Sn\n0.743776 0.648889 0.460002 S\n0.672275 0.327725 0.750001 S\n0.256225 0.351109 0.540000 S\n0.152861 0.876256 0.882777 S\n0.123743 0.847139 0.617225 S\n0.847140 0.123742 0.117225 S\n0.876258 0.152859 0.382776 S\n0.327726 0.672273 0.250001 S\n0.648891 0.743774 0.960002 S\n0.351110 0.256224 0.039999 S\n","nsites":18,"nelements":3,"elements":["Tl","Sn","S"],"chemical_system":"S-Sn-Tl","density":5.5571101585970775,"density_atomic":0.037344942893464024,"volume":481.9929716146465,"volume_molar":16.12571955774492,"formula_full":"Tl4 Sn4 S10","formula_reduced":"Tl2Sn2S5","formula_anonymous":"A2B2C5","energy_above_hull":1.1354087333333336,"spacegroup":15},{"id":"jvasp-103284","created_at":"2022-09-04T14:36:38.633897Z","updated_at":"2022-09-04T14:36:38.633924Z","structure_string":"Na2 Zr2 O5\n1.0\n4.011753 0.000000 0.000000\n0.000000 4.011753 0.000000\n-0.000000 -0.000000 8.091649\nNa Zr O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.250370 Zr\n0.500000 0.500000 0.749630 Zr\n0.500000 0.000000 0.196841 O\n0.500000 0.000000 0.803159 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.196841 O\n0.000000 0.500000 0.803159 O\n","nsites":9,"nelements":3,"elements":["Na","Zr","O"],"chemical_system":"Na-O-Zr","density":3.9327162559499627,"density_atomic":0.06910939668778408,"volume":130.22831092940012,"volume_molar":8.713924659487711,"formula_full":"Na2 Zr2 O5","formula_reduced":"Na2Zr2O5","formula_anonymous":"A2B2C5","energy_above_hull":2.2097838333333333,"spacegroup":123},{"id":"jvasp-29494","created_at":"2022-09-04T14:37:57.720286Z","updated_at":"2022-09-04T14:37:57.720306Z","structure_string":"Zn4 In4 S10\n1.0\n3.906477 -0.000000 0.000000\n-1.953238 3.383108 -0.000000\n-0.000000 -0.000000 30.693903\nZn In S\n4 4 10\ndirect\n0.333333 0.666667 0.309712 Zn\n0.666667 0.333333 0.809712 Zn\n0.666667 0.333333 0.063902 Zn\n0.333333 0.666667 0.563902 Zn\n0.333333 0.666667 0.920295 In\n0.000000 0.000000 0.187491 In\n0.000000 0.000000 0.687491 In\n0.666667 0.333333 0.420295 In\n0.333333 0.666667 0.644858 S\n0.333333 0.666667 0.838139 S\n0.666667 0.333333 0.954387 S\n0.666667 0.333333 0.144858 S\n0.666667 0.333333 0.338139 S\n0.333333 0.666667 0.454387 S\n0.333333 0.666667 0.042914 S\n0.666667 0.333333 0.736299 S\n0.333333 0.666667 0.236299 S\n0.666667 0.333333 0.542914 S\n","nsites":18,"nelements":3,"elements":["Zn","In","S"],"chemical_system":"In-S-Zn","density":4.263628007014707,"density_atomic":0.044373047326897924,"volume":405.65165307203984,"volume_molar":13.57161863514728,"formula_full":"Zn4 In4 S10","formula_reduced":"Zn2In2S5","formula_anonymous":"A2B2C5","energy_above_hull":0.6926011111111112,"spacegroup":186},{"id":"jvasp-20931","created_at":"2022-09-04T14:38:15.886417Z","updated_at":"2022-09-04T14:38:15.886447Z","structure_string":"Ca8 B8 O20\n1.0\n0.000000 7.193193 0.066067\n5.204576 0.000000 0.000000\n0.000000 -0.604763 -11.527511\nCa B O\n8 8 20\ndirect\n0.381178 0.563307 0.632637 Ca\n0.618822 0.063306 0.867363 Ca\n0.618822 0.436694 0.367363 Ca\n0.381178 0.936695 0.132637 Ca\n0.875645 0.600851 0.665290 Ca\n0.124355 0.100851 0.834710 Ca\n0.124355 0.399149 0.334710 Ca\n0.875645 0.899150 0.165290 Ca\n0.845031 0.923028 0.404644 B\n0.154968 0.423028 0.095356 B\n0.154968 0.076973 0.595356 B\n0.845032 0.576973 0.904644 B\n0.337914 0.561900 0.910984 B\n0.337914 0.938101 0.410984 B\n0.662086 0.438101 0.089016 B\n0.662086 0.061900 0.589015 B\n0.409341 0.418745 0.825008 O\n0.145436 0.645379 0.156370 O\n0.854563 0.145378 0.343629 O\n0.106147 0.306192 0.641841 O\n0.893853 0.806192 0.858159 O\n0.893853 0.693809 0.358159 O\n0.106147 0.193809 0.141841 O\n0.590659 0.918746 0.674991 O\n0.409341 0.081255 0.325008 O\n0.230322 0.406081 0.985026 O\n0.643591 0.320514 0.571605 O\n0.356409 0.820515 0.928394 O\n0.356409 0.679486 0.428394 O\n0.643591 0.179486 0.071605 O\n0.769678 0.593920 0.014973 O\n0.230321 0.093919 0.485027 O\n0.145437 0.854622 0.656370 O\n0.769678 0.906081 0.514973 O\n0.590659 0.581255 0.174991 O\n0.854563 0.354622 0.843629 O\n","nsites":36,"nelements":3,"elements":["Ca","B","O"],"chemical_system":"B-Ca-O","density":2.799045412604586,"density_atomic":0.08345823642825485,"volume":431.35347139700843,"volume_molar":7.215753672409496,"formula_full":"Ca8 B8 O20","formula_reduced":"Ca2B2O5","formula_anonymous":"A2B2C5","energy_above_hull":2.3066692785185183,"spacegroup":14},{"id":"jvasp-109022","created_at":"2022-09-04T14:37:47.512799Z","updated_at":"2022-09-04T14:37:47.512818Z","structure_string":"Ba2 Tc2 O5\n1.0\n3.962848 -0.000000 0.000000\n0.000000 3.962848 0.000000\n-0.000000 -0.000000 8.398183\nBa Tc O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.242284 Tc\n0.500000 0.500000 0.757716 Tc\n0.500000 0.000000 0.237229 O\n0.500000 0.000000 0.762771 O\n-0.000000 0.500000 0.237229 O\n-0.000000 0.500000 0.762771 O\n0.500000 0.500000 0.500000 O\n","nsites":9,"nelements":3,"elements":["Ba","Tc","O"],"chemical_system":"Ba-O-Tc","density":6.933066508194236,"density_atomic":0.06824052291323243,"volume":131.88644541079302,"volume_molar":8.824874873331686,"formula_full":"Ba2 Tc2 O5","formula_reduced":"Ba2Tc2O5","formula_anonymous":"A2B2C5","energy_above_hull":2.724450271111111,"spacegroup":123},{"id":"jvasp-50458","created_at":"2022-09-04T14:37:33.804864Z","updated_at":"2022-09-04T14:37:33.804884Z","structure_string":"Li4 V4 S10\n1.0\n4.947913 3.100704 -0.425542\n-4.947913 3.100704 0.425542\n-3.898726 0.000000 10.904935\nLi V S\n4 4 10\ndirect\n0.185675 0.565580 0.680848 Li\n0.434418 0.814324 0.180848 Li\n0.565580 0.185675 0.819153 Li\n0.814324 0.434418 0.319152 Li\n0.759476 0.940448 0.552864 V\n0.940447 0.759476 0.947136 V\n0.059551 0.240523 0.052864 V\n0.240523 0.059551 0.447136 V\n0.975273 0.806012 0.142611 S\n0.339200 0.339200 0.250000 S\n0.806012 0.975273 0.357389 S\n0.193987 0.024726 0.642611 S\n0.297471 0.703971 0.966285 S\n0.024726 0.193987 0.857390 S\n0.296028 0.702527 0.466285 S\n0.703971 0.297471 0.533716 S\n0.660798 0.660799 0.750000 S\n0.702527 0.296028 0.033715 S\n","nsites":18,"nelements":3,"elements":["Li","V","S"],"chemical_system":"Li-S-V","density":2.827207747996738,"density_atomic":0.05550095519531478,"volume":324.3187425631821,"volume_molar":10.850517326787147,"formula_full":"Li4 V4 S10","formula_reduced":"Li2V2S5","formula_anonymous":"A2B2C5","energy_above_hull":2.4552287111111117,"spacegroup":15},{"id":"jvasp-102853","created_at":"2022-09-04T14:36:58.623300Z","updated_at":"2022-09-04T14:36:58.623314Z","structure_string":"Rb2 Hf2 O5\n1.0\n4.055508 -0.000000 0.000000\n0.000000 4.055508 0.000000\n-0.000000 -0.000000 8.997743\nRb Hf O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.500000 0.500000 0.278186 Hf\n0.500000 0.500000 0.721813 Hf\n0.500000 0.000000 0.234197 O\n0.500000 0.000000 0.765803 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.500000 0.234197 O\n-0.000000 0.500000 0.765803 O\n","nsites":9,"nelements":3,"elements":["Rb","Hf","O"],"chemical_system":"Hf-O-Rb","density":6.8212840262676595,"density_atomic":0.06081607672860768,"volume":147.98718503599937,"volume_molar":9.90221843292171,"formula_full":"Rb2 Hf2 O5","formula_reduced":"Rb2Hf2O5","formula_anonymous":"A2B2C5","energy_above_hull":2.4459192777777776,"spacegroup":123},{"id":"jvasp-12317","created_at":"2022-09-04T14:38:10.236390Z","updated_at":"2022-09-04T14:38:10.236419Z","structure_string":"Ba4 In4 O10\n1.0\n5.705268 0.000000 -1.910038\n-0.671025 5.809178 -2.004346\n0.006982 -0.011672 9.496671\nBa In O\n4 4 10\ndirect\n0.589293 0.123955 0.218491 Ba\n0.089292 0.594537 0.218490 Ba\n0.870801 0.405463 0.781509 Ba\n0.370800 0.876046 0.781509 Ba\n0.975304 -0.000000 -0.000000 In\n0.475303 0.500000 -0.000000 In\n0.255212 0.187755 0.500000 In\n0.755212 0.812246 0.499999 In\n0.737435 0.753828 0.016430 O\n0.100221 0.880931 0.500000 O\n0.237435 0.762604 0.016430 O\n0.089317 0.191417 0.274606 O\n0.814711 0.808583 0.725394 O\n0.589317 0.583189 0.274605 O\n0.314711 0.416812 0.725394 O\n0.600222 0.119070 0.500000 O\n0.221004 0.237397 0.983569 O\n0.721004 0.246173 0.983569 O\n","nsites":18,"nelements":3,"elements":["Ba","In","O"],"chemical_system":"Ba-In-O","density":6.166533805546109,"density_atomic":0.05720161689720534,"volume":314.6764195904996,"volume_molar":10.527920514593392,"formula_full":"Ba4 In4 O10","formula_reduced":"Ba2In2O5","formula_anonymous":"A2B2C5","energy_above_hull":1.1421654866666668,"spacegroup":46},{"id":"jvasp-89918","created_at":"2022-09-04T14:35:57.548632Z","updated_at":"2022-09-04T14:35:57.548649Z","structure_string":"V2 H2 O5\n1.0\n-0.000000 2.883415 0.000000\n0.126411 0.000000 4.861144\n5.986034 -1.441708 -0.737470\nV H O\n2 2 5\ndirect\n0.861873 0.600577 0.723744 V\n0.138127 0.399422 0.276255 V\n0.648186 0.936646 0.296371 H\n0.351814 0.063353 0.703629 H\n-0.000000 0.500000 -0.000000 O\n0.692096 0.649613 0.384191 O\n0.307904 0.350386 0.615808 O\n0.379426 0.869871 0.758851 O\n0.620574 0.130128 0.241148 O\n","nsites":9,"nelements":3,"elements":["V","H","O"],"chemical_system":"H-O-V","density":3.627831886406459,"density_atomic":0.10692236744507488,"volume":84.17322039397625,"volume_molar":5.6322553492780845,"formula_full":"V2 H2 O5","formula_reduced":"V2H2O5","formula_anonymous":"A2B2C5","energy_above_hull":3.1853228777777782,"spacegroup":12}]}