{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-spacegroup&page=4401","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-spacegroup&page=4399","results":[{"id":"jvasp-99623","created_at":"2022-09-04T14:36:32.415420Z","updated_at":"2022-09-04T14:36:32.415446Z","structure_string":"Fe1 Mo3 As4\n1.0\n3.409946 -0.000000 0.000000\n0.000000 5.917140 0.004817\n0.000000 -0.016129 6.342013\nFe Mo As\n1 3 4\ndirect\n0.500001 0.510587 0.311304 Fe\n0.500001 0.013866 0.183382 Mo\n-0.000000 0.486009 0.694751 Mo\n-0.000000 0.996886 0.815376 Mo\n0.500001 0.690317 0.929357 As\n0.500001 0.194527 0.558923 As\n-0.000000 0.324409 0.089594 As\n-0.000000 0.783400 0.417314 As\n","nsites":8,"nelements":3,"elements":["Fe","Mo","As"],"chemical_system":"As-Fe-Mo","density":8.348529274548751,"density_atomic":0.06251764550158757,"volume":127.96387221263552,"volume_molar":9.632705633239295,"formula_full":"Fe1 Mo3 As4","formula_reduced":"FeMo3As4","formula_anonymous":"AB3C4","energy_above_hull":4.449766275,"spacegroup":6},{"id":"jvasp-48347","created_at":"2022-09-04T14:36:33.575271Z","updated_at":"2022-09-04T14:36:33.575290Z","structure_string":"V6 O10 F2\n1.0\n0.000000 6.502393 0.002005\n2.897511 0.000000 0.000000\n0.000000 -3.241542 -9.815205\nV O F\n6 10 2\ndirect\n0.994826 0.000000 0.982309 V\n0.808778 0.500000 0.656856 V\n0.504572 0.500000 0.005250 V\n0.349570 0.000000 0.676323 V\n0.668284 0.000000 0.330184 V\n0.177487 0.500000 0.353058 V\n0.970356 0.000000 0.331884 O\n0.628291 0.000000 0.664533 O\n0.601037 0.500000 0.200414 O\n0.263099 0.500000 0.538865 O\n0.736011 0.500000 0.466171 O\n0.704733 0.000000 -0.000872 O\n0.366353 0.000000 0.335736 O\n0.298470 0.000000 0.001418 O\n0.931997 0.500000 0.857867 O\n0.396876 0.500000 0.802971 O\n0.031687 0.000000 0.665030 F\n0.067571 0.500000 0.132003 F\n","nsites":18,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.522886522220483,"density_atomic":0.09734621071428547,"volume":184.9070433037258,"volume_molar":6.186312457169179,"formula_full":"V6 O10 F2","formula_reduced":"V3O5F","formula_anonymous":"AB3C5","energy_above_hull":2.9917267091666666,"spacegroup":6},{"id":"jvasp-18556","created_at":"2022-09-04T14:36:35.164343Z","updated_at":"2022-09-04T14:36:35.164362Z","structure_string":"Na3 Li3 N2\n1.0\n0.000000 3.814957 -0.005262\n4.234847 0.000000 0.000000\n0.000000 -0.054895 -7.236994\nNa Li N\n3 3 2\ndirect\n0.334645 0.500000 0.477954 Na\n0.653736 0.000000 0.636130 Na\n0.592018 0.500000 0.142431 Na\n0.988082 0.000000 0.276280 Li\n0.452060 0.000000 0.974645 Li\n0.019776 0.500000 0.830733 Li\n0.484348 0.000000 0.285346 N\n0.517343 0.500000 0.815478 N\n","nsites":8,"nelements":3,"elements":["Na","Li","N"],"chemical_system":"Li-N-Na","density":1.6731131114650735,"density_atomic":0.06842264506783134,"volume":116.92035571073195,"volume_molar":8.801385497491221,"formula_full":"Na3 Li3 N2","formula_reduced":"Na3Li3N2","formula_anonymous":"A2B3C3","energy_above_hull":1.4748066875,"spacegroup":6},{"id":"jvasp-101454","created_at":"2022-09-04T14:36:34.782787Z","updated_at":"2022-09-04T14:36:34.782814Z","structure_string":"Nb2 Rh4\n1.0\n2.832610 0.000000 0.000000\n0.000000 4.659388 1.234145\n0.000000 -0.003706 6.988933\nNb Rh\n2 4\ndirect\n0.500000 0.268596 0.652655 Nb\n0.500000 0.521264 0.015308 Nb\n0.000000 0.758422 0.670516 Rh\n0.000000 0.209291 0.332366 Rh\n0.000000 0.017676 0.993124 Rh\n0.500000 0.724751 0.336029 Rh\n","nsites":6,"nelements":2,"elements":["Nb","Rh"],"chemical_system":"Nb-Rh","density":10.753554806737906,"density_atomic":0.06503748198942735,"volume":92.25449412348674,"volume_molar":9.259492489237166,"formula_full":"Nb2 Rh4","formula_reduced":"NbRh2","formula_anonymous":"AB2","energy_above_hull":3.2108218,"spacegroup":6},{"id":"jvasp-101831","created_at":"2022-09-04T14:36:38.855926Z","updated_at":"2022-09-04T14:36:38.855947Z","structure_string":"H8 C4 S2 N4\n1.0\n5.048797 -0.069383 -0.921220\n-1.346798 5.866082 -1.274410\n-0.072442 0.107137 6.150813\nH C S N\n8 4 2 4\ndirect\n0.037099 0.152887 0.047535 H\n0.037756 0.653033 0.547681 H\n0.751056 0.238413 0.133006 H\n0.751330 0.738196 0.632787 H\n0.282695 0.551754 0.164205 H\n0.282770 0.051950 0.664306 H\n0.282762 0.769659 0.946639 H\n0.282689 0.269557 0.446444 H\n0.927184 0.083447 0.478090 C\n0.927183 0.583468 0.978069 C\n0.973601 0.275426 0.170054 C\n0.973894 0.775430 0.670061 C\n0.584969 0.485617 0.880100 S\n0.584968 0.985525 0.380191 S\n0.074626 0.748484 0.899484 N\n0.074559 0.504772 0.143067 N\n0.074636 0.004833 0.643119 N\n0.074550 0.248433 0.399421 N\n","nsites":18,"nelements":4,"elements":["H","C","S","N"],"chemical_system":"C-H-N-S","density":1.6080540015588356,"density_atomic":0.09889232410470906,"volume":182.01614900809955,"volume_molar":6.089593721777278,"formula_full":"H8 C4 S2 N4","formula_reduced":"H4C2SN2","formula_anonymous":"AB2C2D4","energy_above_hull":4.536925166666666,"spacegroup":6},{"id":"jvasp-101790","created_at":"2022-09-04T14:36:39.291897Z","updated_at":"2022-09-04T14:36:39.291907Z","structure_string":"H4 C9 S3 O1\n1.0\n3.798052 -0.024261 0.006697\n0.405794 5.929130 0.004404\n-0.006390 -0.001722 9.709878\nH C S O\n4 9 3 1\ndirect\n0.092848 0.211078 0.331998 H\n0.298647 0.198687 0.795630 H\n0.300525 0.199035 0.076647 H\n0.090695 0.210686 0.540464 H\n0.805623 0.662792 0.436093 C\n0.099191 0.551461 0.810820 C\n0.911749 0.565702 0.304953 C\n0.911448 0.565664 0.567233 C\n0.099445 0.551464 0.061206 C\n0.058803 0.355820 0.607902 C\n0.166181 0.345732 0.124781 C\n0.164984 0.345545 0.747434 C\n0.060032 0.356033 0.264397 C\n0.894597 0.753911 0.166069 S\n0.895045 0.754039 0.705921 S\n0.592708 0.919784 0.436077 S\n0.212945 0.626523 0.935921 O\n","nsites":17,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.7028085680990266,"density_atomic":0.07771285991402392,"volume":218.7540134130646,"volume_molar":7.74922035640237,"formula_full":"H4 C9 S3 O1","formula_reduced":"H4C9S3O","formula_anonymous":"AB3C4D9","energy_above_hull":5.361717264705881,"spacegroup":6},{"id":"jvasp-42162","created_at":"2022-09-04T14:36:39.748925Z","updated_at":"2022-09-04T14:36:39.748941Z","structure_string":"Mn6 O5 F7\n1.0\n0.000000 4.675423 -0.015497\n9.341784 0.000000 0.000000\n0.000000 -0.353192 -4.677833\nMn O F\n6 5 7\ndirect\n0.980598 0.000000 0.992183 Mn\n0.012787 0.659461 0.028156 Mn\n0.012787 0.340539 0.028156 Mn\n0.479322 0.157426 0.491212 Mn\n0.479322 0.842574 0.491212 Mn\n0.511068 0.500000 0.455097 Mn\n0.676430 0.000000 0.693159 O\n0.317913 0.327499 0.306263 O\n0.317913 0.672501 0.306263 O\n0.279431 0.000000 0.296810 O\n0.829165 0.500000 0.193325 O\n0.795865 0.833889 0.197420 F\n0.795865 0.166111 0.197420 F\n0.709945 0.671175 0.705186 F\n0.709945 0.328825 0.705186 F\n0.182618 0.823681 0.815093 F\n0.226404 0.500000 0.782767 F\n0.182618 0.176318 0.815093 F\n","nsites":18,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":4.408958889303834,"density_atomic":0.08807819139145853,"volume":204.36386937147722,"volume_molar":6.837266597851603,"formula_full":"Mn6 O5 F7","formula_reduced":"Mn6O5F7","formula_anonymous":"A5B6C7","energy_above_hull":2.4251801625431035,"spacegroup":6},{"id":"jvasp-104096","created_at":"2022-09-04T14:36:39.978131Z","updated_at":"2022-09-04T14:36:39.978160Z","structure_string":"H2 C4 F6\n1.0\n4.633737 0.000000 -0.814094\n0.000000 2.603950 0.000000\n0.015169 0.000000 8.969482\nH C F\n2 4 6\ndirect\n0.354264 0.000000 0.063481 H\n0.374886 0.500000 0.654144 H\n0.980258 0.500000 0.009552 C\n0.146268 0.000000 0.985669 C\n0.404498 0.000000 0.464875 C\n0.486919 0.500000 0.556245 C\n0.920925 0.500000 0.154201 F\n0.718354 0.500000 0.912442 F\n0.194625 0.000000 0.836432 F\n0.110894 0.000000 0.419712 F\n0.528560 0.000000 0.335439 F\n0.783552 0.500000 0.607790 F\n","nsites":12,"nelements":3,"elements":["H","C","F"],"chemical_system":"C-F-H","density":2.516300736286028,"density_atomic":0.11084620865977544,"volume":108.25810052585618,"volume_molar":5.4328793314744654,"formula_full":"H2 C4 F6","formula_reduced":"HC2F3","formula_anonymous":"AB2C3","energy_above_hull":2.4497318079166663,"spacegroup":6},{"id":"jvasp-52842","created_at":"2022-09-04T14:36:40.897821Z","updated_at":"2022-09-04T14:36:40.897831Z","structure_string":"Al6 C3 N2\n1.0\n-3.479176 0.002774 0.018118\n-0.003972 -4.189334 -0.046077\n0.048214 1.846690 9.031321\nAl C N\n6 3 2\ndirect\n0.138236 0.724368 0.749213 Al\n0.138749 0.922733 0.394296 Al\n0.638266 0.488912 0.513820 Al\n0.138072 0.373498 0.143613 Al\n0.638197 0.241253 0.834497 Al\n0.638117 0.839243 0.063791 Al\n0.138100 0.898595 0.183212 C\n0.138288 0.297343 0.577008 C\n0.638228 0.737049 0.837269 C\n0.638090 0.334894 0.052123 N\n0.138228 0.168802 0.715970 N\n","nsites":11,"nelements":3,"elements":["Al","C","N"],"chemical_system":"Al-C-N","density":2.8564410942883556,"density_atomic":0.08375020188014895,"volume":131.3429669786539,"volume_molar":7.1905984998316885,"formula_full":"Al6 C3 N2","formula_reduced":"Al6C3N2","formula_anonymous":"A2B3C6","energy_above_hull":4.214477572727273,"spacegroup":6},{"id":"jvasp-47581","created_at":"2022-09-04T14:36:40.943658Z","updated_at":"2022-09-04T14:36:40.943675Z","structure_string":"Li4 Mn3 Ni1 P4 O16\n1.0\n0.000000 4.731199 -0.001772\n6.060749 0.000000 0.000000\n0.000000 -0.014548 -10.326680\nLi Mn Ni P O\n4 3 1 4 16\ndirect\n0.998430 0.250802 0.005243 Li\n0.998430 0.749198 0.005243 Li\n0.501829 0.747113 0.494139 Li\n0.501829 0.252887 0.494139 Li\n0.029999 0.000000 0.718006 Mn\n0.471539 0.000000 0.221665 Mn\n0.524666 0.500000 0.779367 Mn\n0.973932 0.500000 0.278477 Ni\n0.915570 0.000000 0.407475 P\n0.587699 0.000000 0.909279 P\n0.412063 0.500000 0.097181 P\n0.084473 0.500000 0.586097 P\n0.782003 0.795209 0.337184 O\n0.760882 0.500000 0.591403 O\n0.737066 0.500000 0.101474 O\n0.721860 0.203742 0.838922 O\n0.721860 0.796259 0.838922 O\n0.712267 0.000000 0.048604 O\n0.292174 0.500000 0.956878 O\n0.221007 0.297633 0.657708 O\n0.274000 0.296476 0.166174 O\n0.263704 0.000000 0.906265 O\n0.239821 0.000000 0.406190 O\n0.221007 0.702367 0.657708 O\n0.782003 0.204792 0.337184 O\n0.207853 0.500000 0.446623 O\n0.274000 0.703524 0.166174 O\n0.788029 0.000000 0.546274 O\n","nsites":28,"nelements":5,"elements":["Li","Mn","Ni","P","O"],"chemical_system":"Li-Mn-Ni-O-P","density":3.5393867970462574,"density_atomic":0.09455828108795436,"volume":296.113673787656,"volume_molar":6.368707944678524,"formula_full":"Li4 Mn3 Ni1 P4 O16","formula_reduced":"Li4Mn3Ni(PO4)4","formula_anonymous":"AB3C4D4E16","energy_above_hull":2.99409114729064,"spacegroup":6},{"id":"jvasp-103717","created_at":"2022-09-04T14:36:41.796012Z","updated_at":"2022-09-04T14:36:41.796032Z","structure_string":"Hf3 Sc1 Si4\n1.0\n3.747948 -0.000000 0.000000\n0.000000 5.276759 0.024625\n0.000000 0.000288 7.020840\nHf Sc Si\n3 1 4\ndirect\n-0.000000 0.877926 0.822818 Hf\n0.500000 0.374016 0.679157 Hf\n0.500000 0.123865 0.174682 Hf\n-0.000000 0.625074 0.324055 Sc\n-0.000000 0.142460 0.456968 Si\n-0.000000 0.359240 0.956250 Si\n0.500000 0.856826 0.542325 Si\n0.500000 0.640595 0.043749 Si\n","nsites":8,"nelements":3,"elements":["Hf","Sc","Si"],"chemical_system":"Hf-Sc-Si","density":8.284895826669215,"density_atomic":0.0576156118124368,"volume":138.8512548654935,"volume_molar":10.45227251878296,"formula_full":"Hf3 Sc1 Si4","formula_reduced":"Hf3ScSi4","formula_anonymous":"AB3C4","energy_above_hull":4.503881081249999,"spacegroup":6},{"id":"jvasp-103072","created_at":"2022-09-04T14:36:41.821442Z","updated_at":"2022-09-04T14:36:41.821459Z","structure_string":"Mn3 Fe1 As4\n1.0\n3.474840 0.000000 0.000000\n0.000000 5.445733 0.016245\n0.000000 -0.001630 6.025655\nMn Fe As\n3 1 4\ndirect\n0.000000 0.006983 0.804551 Mn\n0.500000 0.497603 0.301672 Mn\n0.500000 0.998853 0.194869 Mn\n0.000000 0.502160 0.696492 Fe\n0.000000 0.699926 0.078692 As\n0.000000 0.199626 0.421325 As\n0.500000 0.305515 0.911709 As\n0.500000 0.789331 0.590686 As\n","nsites":8,"nelements":3,"elements":["Mn","Fe","As"],"chemical_system":"As-Fe-Mn","density":7.577835272079928,"density_atomic":0.07016074913425153,"volume":114.02386802757937,"volume_molar":8.583347290771831,"formula_full":"Mn3 Fe1 As4","formula_reduced":"Mn3FeAs4","formula_anonymous":"AB3C4","energy_above_hull":3.676246778017241,"spacegroup":6}]}