{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=chemical_system&page=3537","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=chemical_system&page=3535","results":[{"id":"jvasp-30181","created_at":"2022-09-04T14:38:01.162955Z","updated_at":"2022-09-04T14:38:01.162972Z","structure_string":"Y2 I2 O2\n1.0\n1.958436 1.130703 10.690337\n-1.958436 1.130703 10.690337\n0.000000 -2.261405 10.690337\nY I O\n2 2 2\ndirect\n0.289525 0.289525 0.289526 Y\n0.710474 0.710474 0.710477 Y\n0.111592 0.111592 0.111593 I\n0.888406 0.888406 0.888410 I\n0.360152 0.360152 0.360153 O\n0.639847 0.639847 0.639850 O\n","nsites":6,"nelements":3,"elements":["Y","I","O"],"chemical_system":"I-O-Y","density":5.420137311740337,"density_atomic":0.04224261585032968,"volume":142.0366584602306,"volume_molar":14.256079172125894,"formula_full":"Y2 I2 O2","formula_reduced":"YIO","formula_anonymous":"ABC","energy_above_hull":0.5288850750000005,"spacegroup":166},{"id":"jvasp-12519","created_at":"2022-09-04T14:37:05.636208Z","updated_at":"2022-09-04T14:37:05.636230Z","structure_string":"Zn2 I4 O12\n1.0\n0.000000 5.527940 0.006585\n5.022977 0.000000 0.000000\n0.000000 -0.081343 -9.491113\nZn I O\n2 4 12\ndirect\n0.232871 0.925030 0.744718 Zn\n0.767129 0.425030 0.255282 Zn\n0.261928 0.483462 0.068021 I\n0.738073 0.983462 0.931979 I\n0.266347 -0.005240 0.400482 I\n0.733653 0.494760 0.599518 I\n0.463406 0.649121 0.198674 O\n0.536594 0.149121 0.801326 O\n0.346824 0.701154 0.919707 O\n0.653177 0.201154 0.080293 O\n0.094007 0.201415 0.273238 O\n0.855011 0.637238 0.435029 O\n0.144989 0.137238 0.564972 O\n0.016375 0.161919 0.879770 O\n0.553582 0.182904 0.398313 O\n0.446419 0.682905 0.601687 O\n0.905993 0.701416 0.726762 O\n0.983626 0.661919 0.120230 O\n","nsites":18,"nelements":3,"elements":["Zn","I","O"],"chemical_system":"I-O-Zn","density":5.232559998662834,"density_atomic":0.06830229315342129,"volume":263.5343437089033,"volume_molar":8.816893960606867,"formula_full":"Zn2 I4 O12","formula_reduced":"Zn(IO3)2","formula_anonymous":"AB2C6","energy_above_hull":1.5342715500000004,"spacegroup":4},{"id":"jvasp-24557","created_at":"2022-09-04T14:37:15.560320Z","updated_at":"2022-09-04T14:37:15.560340Z","structure_string":"Zr2 I8 O24\n1.0\n8.414298 0.000000 0.000000\n-0.000000 8.414298 0.000000\n-0.000000 0.000000 7.469266\nZr I O\n2 8 24\ndirect\n0.500000 -0.000000 0.057828 Zr\n0.000000 0.500000 0.942172 Zr\n0.252351 0.218297 0.727850 I\n0.281703 0.752351 0.727850 I\n0.781703 0.252351 0.272150 I\n0.752351 0.718297 0.272150 I\n0.247649 0.281703 0.272150 I\n0.218297 0.747649 0.272150 I\n0.747649 0.781703 0.727850 I\n0.718297 0.247649 0.727850 I\n0.751619 0.097597 0.553533 O\n0.251619 0.597597 0.446467 O\n0.097597 0.248381 0.446467 O\n0.902404 0.751619 0.446467 O\n0.571829 0.208038 0.219528 O\n0.428172 0.791963 0.219528 O\n0.291962 0.071828 0.219528 O\n0.708038 0.928172 0.219528 O\n0.597597 0.748381 0.553533 O\n0.748381 0.402404 0.446467 O\n0.402404 0.251619 0.553533 O\n0.088126 0.294153 0.096673 O\n0.791963 0.571829 0.780472 O\n0.928172 0.291962 0.780472 O\n0.205847 0.588126 0.096673 O\n0.071828 0.708038 0.780472 O\n0.911874 0.705847 0.096673 O\n0.794153 0.411874 0.096673 O\n0.294153 0.911874 0.903327 O\n0.411874 0.205847 0.903327 O\n0.588126 0.794153 0.903327 O\n0.705847 0.088126 0.903327 O\n0.248381 0.902404 0.553533 O\n0.208038 0.428172 0.780472 O\n","nsites":34,"nelements":3,"elements":["Zr","I","O"],"chemical_system":"I-O-Zr","density":4.966507494934145,"density_atomic":0.06429322534479816,"volume":528.8271014194946,"volume_molar":9.366680124855861,"formula_full":"Zr2 I8 O24","formula_reduced":"Zr(IO3)4","formula_anonymous":"AB4C12","energy_above_hull":2.2991889176470584,"spacegroup":85},{"id":"jvasp-3816","created_at":"2022-09-04T14:36:03.177458Z","updated_at":"2022-09-04T14:36:03.177490Z","structure_string":"P2 I6\n1.0\n3.544325 -6.138951 0.000000\n3.544325 6.138951 0.000000\n0.000000 0.000000 7.275373\nP I\n2 6\ndirect\n0.666668 0.333334 0.646689 P\n0.333334 0.666668 0.146689 P\n0.336458 0.313334 0.499770 I\n0.663543 0.686667 -0.000230 I\n0.313335 0.976877 -0.000230 I\n0.976877 0.663544 0.499770 I\n0.686667 0.023124 0.499770 I\n0.023124 0.336458 -0.000230 I\n","nsites":8,"nelements":2,"elements":["P","I"],"chemical_system":"I-P","density":4.318505362733167,"density_atomic":0.0252683580591929,"volume":316.60149746411855,"volume_molar":23.83273478194631,"formula_full":"P2 I6","formula_reduced":"PI3","formula_anonymous":"AB3","energy_above_hull":0.49326608125,"spacegroup":173},{"id":"jvasp-4074","created_at":"2022-09-04T14:36:31.005122Z","updated_at":"2022-09-04T14:36:31.005149Z","structure_string":"P2 I4\n1.0\n4.511747 0.071917 -0.209732\n1.963571 7.129666 -0.061373\n1.106809 0.924034 6.850801\nP I\n2 4\ndirect\n0.400694 0.038540 0.852858 P\n0.599307 0.961460 0.147142 P\n0.571933 0.339135 0.772104 I\n0.428068 0.660866 0.227897 I\n0.832116 0.799704 0.695664 I\n0.167885 0.200296 0.304337 I\n","nsites":6,"nelements":2,"elements":["P","I"],"chemical_system":"I-P","density":4.280939170948968,"density_atomic":0.02715798898631303,"volume":220.9294658387208,"volume_molar":22.174472355206472,"formula_full":"P2 I4","formula_reduced":"PI2","formula_anonymous":"AB2","energy_above_hull":0.6737926833333334,"spacegroup":2},{"id":"jvasp-91992","created_at":"2022-09-04T14:37:41.349590Z","updated_at":"2022-09-04T14:37:41.349617Z","structure_string":"Pa2 I6\n1.0\n10.580056 0.000213 -0.000926\n-5.289844 9.164032 0.000565\n-0.000793 0.000246 3.902017\nPa I\n2 6\ndirect\n0.666662 0.333314 0.250005 Pa\n0.333339 0.666685 0.749997 Pa\n0.798618 0.201747 0.750190 I\n0.403149 0.201381 0.749853 I\n0.798213 0.596797 0.749972 I\n0.201402 0.798265 0.249809 I\n0.596846 0.798599 0.250147 I\n0.201776 0.403208 0.250035 I\n","nsites":8,"nelements":2,"elements":["Pa","I"],"chemical_system":"I-Pa","density":5.370117738001445,"density_atomic":0.0211456591488277,"volume":378.3282395547132,"volume_molar":28.47932390101853,"formula_full":"Pa2 I6","formula_reduced":"PaI3","formula_anonymous":"AB3","energy_above_hull":0.7469129812499999,"spacegroup":194},{"id":"jvasp-161","created_at":"2022-09-04T14:36:09.642135Z","updated_at":"2022-09-04T14:36:09.642161Z","structure_string":"Pb1 I2\n1.0\n4.400231 0.024530 6.163910\n1.992219 3.923482 6.163910\n0.039717 0.024530 7.573259\nPb I\n1 2\ndirect\n0.000000 0.000000 0.000000 Pb\n0.755806 0.755805 0.755805 I\n0.244195 0.244195 0.244195 I\n","nsites":3,"nelements":2,"elements":["Pb","I"],"chemical_system":"I-Pb","density":5.931633606655951,"density_atomic":0.023245405519710577,"volume":129.05776143402605,"volume_molar":25.90680018420681,"formula_full":"Pb1 I2","formula_reduced":"PbI2","formula_anonymous":"AB2","energy_above_hull":0.00057,"spacegroup":166},{"id":"jvasp-5173","created_at":"2022-09-04T14:35:49.916157Z","updated_at":"2022-09-04T14:35:49.916175Z","structure_string":"Pb1 I2\n1.0\n2.294241 -3.973743 0.000000\n2.294241 3.973743 0.000000\n0.000000 -0.000000 7.030431\nPb I\n1 2\ndirect\n0.000000 0.000000 0.000000 Pb\n0.333333 0.666667 0.269404 I\n0.666667 0.333333 0.730596 I\n","nsites":3,"nelements":2,"elements":["Pb","I"],"chemical_system":"I-Pb","density":5.97183344087873,"density_atomic":0.023402944152455033,"volume":128.1889996599121,"volume_molar":25.732406661186097,"formula_full":"Pb1 I2","formula_reduced":"PbI2","formula_anonymous":"AB2","energy_above_hull":0.0,"spacegroup":164},{"id":"jvasp-29946","created_at":"2022-09-04T14:38:13.946194Z","updated_at":"2022-09-04T14:38:13.946223Z","structure_string":"Pb3 I6\n1.0\n4.846493 0.171701 20.755236\n2.536486 4.133307 20.755236\n0.294463 0.171701 21.311537\nPb I\n3 6\ndirect\n0.000000 0.000000 0.000000 Pb\n0.555463 0.555464 0.555464 Pb\n0.444536 0.444537 0.444537 Pb\n0.081334 0.081334 0.081334 I\n0.303451 0.303452 0.303452 I\n0.807757 0.807758 0.807758 I\n0.192242 0.192242 0.192242 I\n0.918665 0.918667 0.918667 I\n0.696548 0.696549 0.696549 I\n","nsites":9,"nelements":2,"elements":["Pb","I"],"chemical_system":"I-Pb","density":5.962205806969824,"density_atomic":0.023365214537099707,"volume":385.18798899576285,"volume_molar":25.773958764375717,"formula_full":"Pb3 I6","formula_reduced":"PbI2","formula_anonymous":"AB2","energy_above_hull":0.0003233333333333,"spacegroup":166},{"id":"jvasp-29527","created_at":"2022-09-04T14:37:50.646619Z","updated_at":"2022-09-04T14:37:50.646639Z","structure_string":"Pb3 I6\n1.0\n4.585485 -0.000000 -0.000000\n-2.292742 3.971146 -0.000000\n-0.000000 -0.000000 21.147016\nPb I\n3 6\ndirect\n0.666667 0.333333 0.666613 Pb\n0.000000 0.000000 0.333094 Pb\n0.000000 0.000000 0.000272 Pb\n0.333333 0.666668 0.422738 I\n0.333333 0.666668 0.089963 I\n0.000000 0.000000 0.576974 I\n0.666667 0.333333 0.910636 I\n0.666667 0.333333 0.243428 I\n0.333333 0.666668 0.756283 I\n","nsites":9,"nelements":2,"elements":["Pb","I"],"chemical_system":"I-Pb","density":5.963887936522761,"density_atomic":0.02337180661378341,"volume":385.0793457572207,"volume_molar":25.766689154652134,"formula_full":"Pb3 I6","formula_reduced":"PbI2","formula_anonymous":"AB2","energy_above_hull":0.0001466666666666,"spacegroup":156},{"id":"jvasp-29322","created_at":"2022-09-04T14:36:58.873782Z","updated_at":"2022-09-04T14:36:58.873811Z","structure_string":"Pb2 I4\n1.0\n4.536984 0.007465 13.629727\n2.215097 3.959499 13.629727\n0.012707 0.007465 14.365011\nPb I\n2 4\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500001 0.499999 Pb\n0.121877 0.121877 0.121877 I\n0.878122 0.878125 0.878122 I\n0.288544 0.288545 0.288544 I\n0.711455 0.711458 0.711455 I\n","nsites":6,"nelements":2,"elements":["Pb","I"],"chemical_system":"I-Pb","density":5.959758235413386,"density_atomic":0.023355622779223078,"volume":256.89745277687643,"volume_molar":25.78454369179671,"formula_full":"Pb2 I4","formula_reduced":"PbI2","formula_anonymous":"AB2","energy_above_hull":0.0002133333333333,"spacegroup":166},{"id":"jvasp-29539","created_at":"2022-09-04T14:38:03.267397Z","updated_at":"2022-09-04T14:38:03.267422Z","structure_string":"Pb2 I4\n1.0\n4.583858 0.000000 -0.000000\n-2.291930 3.969738 -0.000000\n0.000000 0.000000 14.124450\nPb I\n2 4\ndirect\n0.666667 0.333333 0.499987 Pb\n0.333333 0.666667 -0.000013 Pb\n0.666667 0.333333 0.865690 I\n0.000000 0.000000 0.134324 I\n0.000000 0.000000 0.634324 I\n0.333333 0.666667 0.365690 I\n","nsites":6,"nelements":2,"elements":["Pb","I"],"chemical_system":"I-Pb","density":5.956949178154224,"density_atomic":0.02334461439950049,"volume":257.01859526659746,"volume_molar":25.796702643881993,"formula_full":"Pb2 I4","formula_reduced":"PbI2","formula_anonymous":"AB2","energy_above_hull":0.00014,"spacegroup":186}]}