{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=elements&page=4332","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=elements&page=4330","results":[{"id":"jvasp-103065","created_at":"2022-09-04T14:36:41.180931Z","updated_at":"2022-09-04T14:36:41.180950Z","structure_string":"Na1 Bi3 I2 O4\n1.0\n7.253101 0.030085 0.000000\n-5.022961 5.232422 0.000000\n0.000000 0.000000 5.703589\nNa Bi I O\n1 3 2 4\ndirect\n0.335929 0.664070 0.500000 Na\n0.834344 0.165655 0.000000 Bi\n0.168050 0.831949 0.000000 Bi\n0.666835 0.333164 0.500000 Bi\n0.495736 0.504263 0.000000 I\n0.004845 0.995154 0.500000 I\n0.506993 0.009863 0.757536 O\n0.990135 0.493006 0.242465 O\n0.990135 0.493006 0.757536 O\n0.506993 0.009863 0.242465 O\n","nsites":10,"nelements":4,"elements":["Na","Bi","I","O"],"chemical_system":"Bi-I-Na-O","density":7.394453898579901,"density_atomic":0.046015000771333636,"volume":217.32043534441897,"volume_molar":13.0873425166857,"formula_full":"Na1 Bi3 I2 O4","formula_reduced":"NaBi3(IO2)2","formula_anonymous":"AB2C3D4","energy_above_hull":1.185199845,"spacegroup":38},{"id":"jvasp-26336","created_at":"2022-09-04T14:38:05.782099Z","updated_at":"2022-09-04T14:38:05.782131Z","structure_string":"Na1 C1 N1 O1\n1.0\n3.386484 0.015859 4.318221\n1.502497 3.034968 4.318221\n0.025415 0.015859 5.487683\nNa C N O\n1 1 1 1\ndirect\n0.496079 0.496081 0.496080 Na\n0.998871 0.998875 0.998873 C\n0.076769 0.076770 0.076770 N\n0.918276 0.918279 0.918277 O\n","nsites":4,"nelements":4,"elements":["Na","C","N","O"],"chemical_system":"C-N-Na-O","density":1.9341486710422129,"density_atomic":0.07167100605871778,"volume":55.81057417727508,"volume_molar":8.402478339799293,"formula_full":"Na1 C1 N1 O1","formula_reduced":"NaCNO","formula_anonymous":"ABCD","energy_above_hull":2.9593064375000004,"spacegroup":160},{"id":"jvasp-9991","created_at":"2022-09-04T14:37:16.461394Z","updated_at":"2022-09-04T14:37:16.461417Z","structure_string":"Na4 C4 S4 N4\n1.0\n3.981965 0.000000 0.000000\n-0.000000 5.593534 0.000000\n0.000000 0.000000 13.286804\nNa C S N\n4 4 4 4\ndirect\n0.250000 0.548856 0.895894 Na\n0.750001 0.048856 0.604106 Na\n0.750001 0.451144 0.104106 Na\n0.250000 0.951143 0.395894 Na\n0.250000 0.889766 0.114508 C\n0.750001 0.389767 0.385492 C\n0.250000 0.610232 0.614508 C\n0.750001 0.110233 0.885492 C\n0.250000 0.125746 0.186147 S\n0.750001 0.874253 0.813853 S\n0.750001 0.625746 0.313853 S\n0.250000 0.374254 0.686147 S\n0.750001 0.284982 0.936212 N\n0.250000 0.784982 0.563788 N\n0.250000 0.715017 0.063788 N\n0.750001 0.215018 0.436212 N\n","nsites":16,"nelements":4,"elements":["Na","C","S","N"],"chemical_system":"C-N-Na-S","density":1.819602954424082,"density_atomic":0.0540649410023558,"volume":295.94039507604055,"volume_molar":11.138716973237045,"formula_full":"Na4 C4 S4 N4","formula_reduced":"NaCSN","formula_anonymous":"ABCD","energy_above_hull":2.9774555624999994,"spacegroup":62},{"id":"jvasp-49235","created_at":"2022-09-04T14:38:34.392614Z","updated_at":"2022-09-04T14:38:34.392635Z","structure_string":"Na6 Ca6 Al2 As8\n1.0\n4.706874 -8.152545 0.000000\n4.706874 8.152545 -0.000000\n-0.000000 0.000000 7.184064\nNa Ca Al As\n6 6 2 8\ndirect\n0.136343 0.863656 0.827813 Na\n0.863655 0.727310 0.327813 Na\n0.272689 0.136344 0.327813 Na\n0.727310 0.863655 0.827813 Na\n0.136344 0.272689 0.827813 Na\n0.863656 0.136343 0.327813 Na\n0.474894 0.949789 0.499543 Ca\n0.474894 0.525105 0.499543 Ca\n0.525105 0.474894 0.999543 Ca\n0.949789 0.474894 0.999543 Ca\n0.050210 0.525105 0.499543 Ca\n0.525105 0.050210 0.999543 Ca\n0.333332 0.666667 0.120983 Al\n0.666667 0.333332 0.620982 Al\n0.333332 0.666667 0.769693 As\n0.189726 0.810273 0.228858 As\n0.810273 0.620547 0.728858 As\n0.379453 0.189726 0.728858 As\n0.620547 0.810273 0.228858 As\n0.189726 0.379453 0.228858 As\n0.810273 0.189726 0.728858 As\n0.666667 0.333332 0.269693 As\n","nsites":22,"nelements":4,"elements":["Na","Ca","Al","As"],"chemical_system":"Al-As-Ca-Na","density":3.107380595357122,"density_atomic":0.03990218843037255,"volume":551.3482058356014,"volume_molar":15.092256833252023,"formula_full":"Na6 Ca6 Al2 As8","formula_reduced":"Na3Ca3AlAs4","formula_anonymous":"AB3C3D4","energy_above_hull":0.7426116418181821,"spacegroup":186},{"id":"jvasp-61501","created_at":"2022-09-04T14:35:58.656416Z","updated_at":"2022-09-04T14:35:58.656434Z","structure_string":"Na4 Ca4 As4 O16\n1.0\n5.279285 0.000000 0.000000\n-0.000000 6.673113 0.000000\n0.000000 0.000000 11.531267\nNa Ca As O\n4 4 4 16\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.492981 0.750000 0.720299 Ca\n0.992980 0.250000 0.779702 Ca\n0.507018 0.250000 0.279702 Ca\n0.007019 0.750000 0.220299 Ca\n0.931512 0.750000 0.902997 As\n0.431513 0.250000 0.597003 As\n0.068487 0.250000 0.097003 As\n0.568486 0.750000 0.402997 As\n0.792050 0.951622 0.832061 O\n0.292050 0.048377 0.667940 O\n0.792050 0.548377 0.832061 O\n0.292050 0.451623 0.667940 O\n0.207949 0.048377 0.167940 O\n0.707949 0.951622 0.332060 O\n0.255077 0.750000 0.897626 O\n0.188965 0.250000 0.958417 O\n0.744922 0.250000 0.102374 O\n0.244922 0.750000 0.397626 O\n0.811035 0.750000 0.041583 O\n0.311035 0.250000 0.458417 O\n0.707949 0.548377 0.332060 O\n0.688964 0.750000 0.541583 O\n0.755077 0.250000 0.602375 O\n0.207949 0.451623 0.167940 O\n","nsites":28,"nelements":4,"elements":["Na","Ca","As","O"],"chemical_system":"As-Ca-Na-O","density":3.3025684417581993,"density_atomic":0.06892510181472807,"volume":406.23806512850007,"volume_molar":8.737224322406696,"formula_full":"Na4 Ca4 As4 O16","formula_reduced":"NaCaAsO4","formula_anonymous":"ABCD4","energy_above_hull":1.4423764528571432,"spacegroup":62},{"id":"jvasp-99279","created_at":"2022-09-04T14:35:44.746553Z","updated_at":"2022-09-04T14:35:44.746581Z","structure_string":"Na2 Ca8 B6 O18\n1.0\n6.486982 0.000000 -0.000000\n-3.243492 5.612888 -0.000000\n-0.000000 -0.000000 10.727816\nNa Ca B O\n2 8 6 18\ndirect\n0.228620 0.151781 0.250000 Na\n0.076839 0.848219 0.750000 Na\n0.719750 -0.000000 0.000000 Ca\n0.293979 0.700049 0.250000 Ca\n0.593930 0.299951 0.750000 Ca\n0.863694 0.571181 0.027615 Ca\n0.719750 -0.000000 0.500000 Ca\n0.863694 0.571181 0.472385 Ca\n0.292514 0.428819 0.972385 Ca\n0.292514 0.428819 0.527615 Ca\n0.607572 0.756615 0.750000 B\n0.701272 0.658833 0.250000 B\n0.042439 0.341167 0.750000 B\n0.294697 -0.000000 0.000000 B\n0.850957 0.243386 0.250000 B\n0.294697 -0.000000 0.500000 B\n0.938557 0.723784 0.250000 O\n0.663339 0.678999 0.639114 O\n0.504203 0.208108 0.528091 O\n0.576299 0.621653 0.138800 O\n0.609414 0.094781 0.250000 O\n0.296096 0.791893 0.028091 O\n0.214773 0.276217 0.750000 O\n0.984340 0.321002 0.360887 O\n0.082826 -0.000000 0.500000 O\n0.984340 0.321002 0.139113 O\n0.504203 0.208108 0.971909 O\n0.663339 0.678999 0.860887 O\n0.954646 0.378348 0.638800 O\n0.576299 0.621653 0.361200 O\n0.296096 0.791893 0.471909 O\n0.954646 0.378348 0.861200 O\n0.082826 -0.000000 0.000000 O\n0.514633 0.905219 0.750000 O\n","nsites":34,"nelements":4,"elements":["Na","Ca","B","O"],"chemical_system":"B-Ca-Na-O","density":3.0585430951458963,"density_atomic":0.08704393817116853,"volume":390.60732676341365,"volume_molar":6.918506775460565,"formula_full":"Na2 Ca8 B6 O18","formula_reduced":"NaCa4(BO3)3","formula_anonymous":"AB3C4D9","energy_above_hull":2.2303705841176464,"spacegroup":40},{"id":"jvasp-25651","created_at":"2022-09-04T14:37:43.489021Z","updated_at":"2022-09-04T14:37:43.489049Z","structure_string":"Na6 Ca4 Bi2 O12\n1.0\n5.793878 0.010766 -1.075908\n-2.266361 5.332236 -1.075909\n0.000318 0.000481 10.602848\nNa Ca Bi O\n6 4 2 12\ndirect\n0.962190 0.712191 0.424374 Na\n0.287811 0.037812 0.075627 Na\n0.037811 0.287811 0.575626 Na\n0.712190 0.962190 0.924373 Na\n0.875002 0.125000 0.250000 Na\n0.125000 0.875002 0.750000 Na\n0.455516 0.205515 0.411024 Ca\n0.205515 0.455516 0.911024 Ca\n0.794486 0.544485 0.088976 Ca\n0.544486 0.794486 0.588976 Ca\n0.375001 0.625001 0.250000 Bi\n0.625001 0.375001 0.750000 Bi\n0.769638 0.527970 0.593988 O\n0.324349 0.066016 0.593987 O\n0.933985 0.675652 0.906013 O\n0.472032 0.230363 0.906012 O\n0.066016 0.324349 0.093987 O\n0.149002 0.850999 0.250000 O\n0.230364 0.472032 0.406012 O\n0.850999 0.149002 0.750000 O\n0.399002 0.600999 0.750000 O\n0.527970 0.769639 0.093988 O\n0.675652 0.933985 0.406013 O\n0.600999 0.399002 0.250000 O\n","nsites":24,"nelements":4,"elements":["Na","Ca","Bi","O"],"chemical_system":"Bi-Ca-Na-O","density":4.60024082804528,"density_atomic":0.07320811067203162,"volume":327.83252811315816,"volume_molar":8.226056791683732,"formula_full":"Na6 Ca4 Bi2 O12","formula_reduced":"Na3Ca2BiO6","formula_anonymous":"AB2C3D6","energy_above_hull":1.0783444283333332,"spacegroup":70},{"id":"jvasp-25772","created_at":"2022-09-04T14:37:49.721201Z","updated_at":"2022-09-04T14:37:49.721222Z","structure_string":"Na2 Ca2 C3 O9\n1.0\n4.981905 0.000000 0.000000\n0.000000 5.970168 -2.735072\n0.000000 -0.023104 6.566808\nNa Ca C O\n2 2 3 9\ndirect\n0.000000 0.925701 0.925701 Na\n0.500000 0.615482 0.615482 Na\n0.500000 0.212095 0.780186 Ca\n0.500000 0.780186 0.212094 Ca\n0.000000 0.876630 0.464228 C\n0.000000 0.464229 0.876630 C\n0.500000 0.224895 0.224895 C\n0.500000 0.414422 0.210230 O\n0.500000 0.210230 0.414422 O\n0.000000 0.885012 0.271780 O\n0.500000 0.038409 0.038409 O\n0.000000 0.271780 0.885012 O\n0.226495 0.869460 0.559061 O\n0.773506 0.559061 0.869460 O\n0.773506 0.869460 0.559061 O\n0.226495 0.559061 0.869460 O\n","nsites":16,"nelements":4,"elements":["Na","Ca","C","O"],"chemical_system":"C-Ca-Na-O","density":2.6071437433520326,"density_atomic":0.08205106773867868,"volume":195.00050932862678,"volume_molar":7.339503221554272,"formula_full":"Na2 Ca2 C3 O9","formula_reduced":"Na2Ca2(CO3)3","formula_anonymous":"A2B2C3D9","energy_above_hull":2.78693689625,"spacegroup":38},{"id":"jvasp-103218","created_at":"2022-09-04T14:36:35.869879Z","updated_at":"2022-09-04T14:36:35.869909Z","structure_string":"Na1 Ca1 H6 Ir1\n1.0\n4.397936 0.000000 2.539149\n1.465979 4.146414 2.539149\n0.000000 0.000000 5.078299\nNa Ca H Ir\n1 1 6 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.749999 0.750000 Ca\n0.764830 0.235170 0.235170 H\n0.235171 0.764829 0.235171 H\n0.764831 0.764829 0.235171 H\n0.235171 0.764829 0.764830 H\n0.764830 0.235170 0.764829 H\n0.235171 0.235170 0.764829 H\n0.000000 0.000000 0.000000 Ir\n","nsites":9,"nelements":4,"elements":["Na","Ca","H","Ir"],"chemical_system":"Ca-H-Ir-Na","density":4.686002703697868,"density_atomic":0.09718576878320949,"volume":92.60615121619436,"volume_molar":6.196525309619641,"formula_full":"Na1 Ca1 H6 Ir1","formula_reduced":"NaCaH6Ir","formula_anonymous":"ABCD6","energy_above_hull":2.4230222800000005,"spacegroup":216},{"id":"jvasp-22056","created_at":"2022-09-04T14:37:35.627387Z","updated_at":"2022-09-04T14:37:35.627411Z","structure_string":"Na2 Ca6 Ir2 O12\n1.0\n6.520357 0.003193 -0.051706\n-0.052142 6.520148 -0.051706\n0.003166 0.003193 6.520561\nNa Ca Ir O\n2 6 2 12\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.606248 0.893752 0.249999 Ca\n0.250001 0.606247 0.893752 Ca\n0.893753 0.249999 0.606247 Ca\n0.393753 0.106247 0.750000 Ca\n0.750001 0.393752 0.106247 Ca\n0.106248 0.750000 0.393752 Ca\n0.000000 0.000000 0.000000 Ir\n0.500001 0.500000 0.499999 Ir\n0.929579 0.707263 0.059110 O\n0.207263 0.429579 0.559111 O\n0.440890 0.792737 0.570420 O\n0.570422 0.440889 0.792736 O\n0.792738 0.570421 0.440888 O\n0.292738 0.940889 0.070420 O\n0.070422 0.292737 0.940889 O\n0.940890 0.070421 0.292736 O\n0.559112 0.207263 0.429578 O\n0.429579 0.559111 0.207262 O\n0.059112 0.929579 0.707262 O\n0.707264 0.059110 0.929578 O\n","nsites":22,"nelements":4,"elements":["Na","Ca","Ir","O"],"chemical_system":"Ca-Ir-Na-O","density":5.1686578996104755,"density_atomic":0.07936039452021719,"volume":277.2163638172875,"volume_molar":7.58834529037762,"formula_full":"Na2 Ca6 Ir2 O12","formula_reduced":"NaCa3IrO6","formula_anonymous":"ABC3D6","energy_above_hull":1.6639547599999998,"spacegroup":167},{"id":"jvasp-107784","created_at":"2022-09-04T14:35:52.785105Z","updated_at":"2022-09-04T14:35:52.785126Z","structure_string":"Na1 Ca1 La1 F6\n1.0\n3.760563 -0.000000 0.000000\n0.000000 5.262989 -3.038588\n-0.000000 0.000000 6.077176\nNa Ca La F\n1 1 1 6\ndirect\n0.979805 0.000000 -0.000000 Na\n0.743462 0.333333 0.666667 Ca\n0.260130 0.666667 0.333333 La\n0.248700 0.086721 0.384054 F\n0.248700 0.615946 0.702667 F\n0.248700 0.297333 0.913280 F\n0.756834 0.919996 0.611997 F\n0.756834 0.388003 0.307999 F\n0.756834 0.692001 0.080004 F\n","nsites":9,"nelements":4,"elements":["Na","Ca","La","F"],"chemical_system":"Ca-F-La-Na","density":4.362134840302207,"density_atomic":0.07482648840713706,"volume":120.27826230505782,"volume_molar":8.048140288547335,"formula_full":"Na1 Ca1 La1 F6","formula_reduced":"NaCaLaF6","formula_anonymous":"ABCD6","energy_above_hull":0.0,"spacegroup":143},{"id":"jvasp-35204","created_at":"2022-09-04T14:38:04.929752Z","updated_at":"2022-09-04T14:38:04.929771Z","structure_string":"Na2 Ca2 P6 O18\n1.0\n6.781225 0.009538 0.023793\n0.894433 6.898208 -0.014634\n1.193652 0.703371 7.512943\nNa Ca P O\n2 2 6 18\ndirect\n0.460263 0.374036 0.344763 Na\n0.539735 0.625965 0.655237 Na\n0.013890 0.723687 0.637746 Ca\n0.986108 0.276313 0.362254 Ca\n0.385431 0.883813 0.277669 P\n0.194054 0.661859 0.047843 P\n0.614567 0.116188 0.722331 P\n0.164903 0.199961 0.726902 P\n0.835095 0.800040 0.273098 P\n0.805944 0.338141 0.952157 P\n0.243517 0.651953 0.850992 O\n0.340910 0.729255 0.428422 O\n0.659089 0.270745 0.571578 O\n0.312941 0.828776 0.099947 O\n0.687058 0.171224 0.900053 O\n0.216894 0.481763 0.172318 O\n0.783104 0.518238 0.827682 O\n0.756482 0.348047 0.149008 O\n0.624084 0.863018 0.208415 O\n0.039034 0.244019 0.918478 O\n0.832558 0.619279 0.403452 O\n0.167440 0.380722 0.596548 O\n0.681078 0.906948 0.697244 O\n0.375915 0.136982 0.791585 O\n0.918410 0.962032 0.340297 O\n0.081589 0.037969 0.659703 O\n0.960964 0.755981 0.081522 O\n0.318920 0.093052 0.302756 O\n","nsites":28,"nelements":4,"elements":["Na","Ca","P","O"],"chemical_system":"Ca-Na-O-P","density":2.8362137751596026,"density_atomic":0.07971137626545452,"volume":351.26730100298994,"volume_molar":7.554932610804623,"formula_full":"Na2 Ca2 P6 O18","formula_reduced":"NaCa(PO3)3","formula_anonymous":"ABC3D9","energy_above_hull":2.421729101428572,"spacegroup":2}]}