{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=492","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=490","results":[{"id":"jvasp-27170","created_at":"2022-09-04T14:38:04.676690Z","updated_at":"2022-09-04T14:38:04.676722Z","structure_string":"Mn1 H4 Cl2 O2\n1.0\n3.659156 0.105066 -0.420452\n-0.778825 5.528735 -0.843088\n0.126970 -0.053920 5.644931\nMn H Cl O\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.837174 0.601526 0.229129 H\n0.162825 0.770871 0.398473 H\n0.162826 0.398474 0.770871 H\n0.837175 0.229129 0.601526 H\n0.444996 0.753993 0.753993 Cl\n0.555003 0.246007 0.246006 Cl\n-0.000001 0.753960 0.246039 O\n-0.000000 0.246039 0.753960 O\n","nsites":9,"nelements":4,"elements":["Mn","H","Cl","O"],"chemical_system":"Cl-H-Mn-O","density":2.3422387628747305,"density_atomic":0.07842343383998335,"volume":114.76161600324426,"volume_molar":7.679006726851173,"formula_full":"Mn1 H4 Cl2 O2","formula_reduced":"MnH4(ClO)2","formula_anonymous":"AB2C2D4","energy_above_hull":2.4549480418199234,"spacegroup":12},{"id":"jvasp-44645","created_at":"2022-09-04T14:38:03.984593Z","updated_at":"2022-09-04T14:38:03.984620Z","structure_string":"Mn4 Ni1 O8\n1.0\n-0.058765 2.972402 -5.029060\n1.583912 -2.515920 -5.029060\n-5.032244 1.483821 -2.577568\nMn Ni O\n4 1 8\ndirect\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 -0.000000 Mn\n-0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 -0.000000 Ni\n0.465230 0.264308 0.799077 O\n0.986203 0.278741 0.778477 O\n0.500262 0.764682 0.778478 O\n0.975974 0.751477 0.775501 O\n0.024026 0.248524 0.224498 O\n0.499738 0.235319 0.221521 O\n0.013797 0.721260 0.221522 O\n0.534770 0.735693 0.200922 O\n","nsites":13,"nelements":3,"elements":["Mn","Ni","O"],"chemical_system":"Mn-Ni-O","density":4.876818730271545,"density_atomic":0.09393633071047562,"volume":138.39160952611343,"volume_molar":6.41087501976317,"formula_full":"Mn4 Ni1 O8","formula_reduced":"Mn4NiO8","formula_anonymous":"AB4C8","energy_above_hull":3.4021261050397875,"spacegroup":12},{"id":"jvasp-29266","created_at":"2022-09-04T14:38:04.236790Z","updated_at":"2022-09-04T14:38:04.236800Z","structure_string":"Tb5 Br8\n1.0\n3.780344 -0.000000 0.704581\n1.697954 9.808444 1.383615\n-0.011547 -0.186178 10.555731\nTb Br\n5 8\ndirect\n0.155159 0.359738 0.329942 Tb\n0.844838 0.640261 0.670057 Tb\n0.483300 0.648304 0.385095 Tb\n0.516698 0.351696 0.614905 Tb\n0.000000 0.000000 0.000000 Tb\n0.039695 0.159656 0.760953 Br\n0.960303 0.840343 0.239047 Br\n0.709902 0.154528 0.425667 Br\n0.290096 0.845471 0.574333 Br\n0.362288 0.177702 0.097720 Br\n0.329655 0.497538 0.843150 Br\n0.670342 0.502461 0.156850 Br\n0.637709 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O\n","nsites":15,"nelements":4,"elements":["Li","Fe","Ni","O"],"chemical_system":"Fe-Li-Ni-O","density":4.695240459676278,"density_atomic":0.11223514055487248,"volume":133.64798160221847,"volume_molar":5.365646383323,"formula_full":"Li3 Fe2 Ni2 O8","formula_reduced":"Li3Fe2(NiO4)2","formula_anonymous":"A2B2C3D8","energy_above_hull":2.4063735866666667,"spacegroup":12},{"id":"jvasp-11677","created_at":"2022-09-04T14:38:04.293139Z","updated_at":"2022-09-04T14:38:04.293159Z","structure_string":"Ni2 P2 O7\n1.0\n4.428927 0.047736 -0.641062\n-0.951193 5.008662 -1.250269\n0.043765 -0.022173 5.249021\nNi P O\n2 2 7\ndirect\n0.500000 0.313483 0.686518 Ni\n0.500001 0.686518 0.313482 Ni\n0.907999 0.221093 0.221091 P\n0.092001 0.778909 0.778908 P\n0.276341 0.924553 0.614348 O\n0.723660 0.385652 0.075448 O\n0.723660 0.075448 0.385653 O\n0.276341 0.614348 0.924552 O\n-0.000000 0.000000 0.000000 O\n0.219124 0.380562 0.380560 O\n0.780876 0.619440 0.619439 O\n","nsites":11,"nelements":3,"elements":["Ni","P","O"],"chemical_system":"Ni-O-P","density":4.1461202344054895,"density_atomic":0.09427576955589016,"volume":116.67897331221246,"volume_molar":6.3877927365311535,"formula_full":"Ni2 P2 O7","formula_reduced":"Ni2P2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.583311845454545,"spacegroup":12},{"id":"jvasp-30503","created_at":"2022-09-04T14:38:04.315892Z","updated_at":"2022-09-04T14:38:04.315925Z","structure_string":"Cu1 H1 O2\n1.0\n1.381958 2.150208 1.100076\n-0.047231 -0.037533 -3.386774\n-3.801188 2.162180 0.549001\nCu H O\n1 1 2\ndirect\n0.500000 -0.000000 -0.000000 Cu\n-0.000000 0.000000 0.500000 H\n0.914441 0.828878 0.237251 O\n0.085561 0.171121 0.762749 O\n","nsites":4,"nelements":3,"elements":["Cu","H","O"],"chemical_system":"Cu-H-O","density":4.268730289733223,"density_atomic":0.10649887172599266,"volume":37.55908335152568,"volume_molar":5.654652168986506,"formula_full":"Cu1 H1 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O\n","nsites":14,"nelements":4,"elements":["Li","Ni","Sn","O"],"chemical_system":"Li-Ni-O-Sn","density":5.257583543554792,"density_atomic":0.0892452171496636,"volume":156.87115172258586,"volume_molar":6.747858263262347,"formula_full":"Li2 Ni2 Sn2 O8","formula_reduced":"LiNiSnO4","formula_anonymous":"ABCD4","energy_above_hull":1.6982683000000005,"spacegroup":12},{"id":"jvasp-5812","created_at":"2022-09-04T14:38:04.461806Z","updated_at":"2022-09-04T14:38:04.461827Z","structure_string":"Ga2 Pd1 Br8\n1.0\n7.116660 -0.009915 0.453188\n0.258448 6.633327 3.246533\n-0.014347 0.141189 7.388346\nGa Pd Br\n2 1 8\ndirect\n0.665727 0.214481 0.214482 Ga\n0.334273 0.785519 0.785518 Ga\n0.000000 0.000000 0.000000 Pd\n0.145648 0.105161 0.655428 Br\n0.145648 0.655428 0.105161 Br\n0.854352 0.894839 0.344573 Br\n0.306650 0.605665 0.605665 Br\n0.854352 0.344572 0.894840 Br\n0.361722 0.160904 0.160904 Br\n0.638278 0.839096 0.839096 Br\n0.693350 0.394335 0.394335 Br\n","nsites":11,"nelements":3,"elements":["Ga","Pd","Br"],"chemical_system":"Br-Ga-Pd","density":4.252724331464184,"density_atomic":0.031828740999352755,"volume":345.59959503970606,"volume_molar":18.920449162982795,"formula_full":"Ga2 Pd1 Br8","formula_reduced":"Ga2PdBr8","formula_anonymous":"AB2C8","energy_above_hull":0.0,"spacegroup":12},{"id":"jvasp-12032","created_at":"2022-09-04T14:38:04.545994Z","updated_at":"2022-09-04T14:38:04.546007Z","structure_string":"Ti6 Cl18\n1.0\n6.019427 0.000000 0.080532\n3.009713 5.183051 0.040265\n-0.144477 0.000000 17.616810\nTi Cl\n6 18\ndirect\n0.328801 0.677642 0.333278 Ti\n0.671198 0.322358 0.666722 Ti\n0.338822 0.322356 0.000000 Ti\n0.993555 0.677642 0.666722 Ti\n0.661178 0.677644 0.000000 Ti\n0.006445 0.322358 0.333278 Ti\n0.999718 0.342260 0.078413 Cl\n0.667308 0.342261 0.411693 Cl\n0.325668 0.342249 0.254864 Cl\n0.011379 -0.000000 0.251006 Cl\n0.000281 0.657740 0.921587 Cl\n0.341978 0.657740 0.078413 Cl\n0.332691 0.657739 0.588307 Cl\n0.009569 0.657739 0.411693 Cl\n0.343707 -0.000000 0.917744 Cl\n0.990431 0.342261 0.588307 Cl\n0.656292 -0.000000 0.082256 Cl\n0.323832 -0.000000 0.415555 Cl\n0.676168 -0.000000 0.584445 Cl\n0.988621 -0.000000 0.748994 Cl\n0.674331 0.657750 0.745137 Cl\n0.658021 0.342260 0.921587 Cl\n0.332081 0.342249 0.745137 Cl\n0.667919 0.657750 0.254864 Cl\n","nsites":24,"nelements":2,"elements":["Ti","Cl"],"chemical_system":"Cl-Ti","density":2.795389889547236,"density_atomic":0.04366120213129267,"volume":549.6871095722494,"volume_molar":13.792888115840121,"formula_full":"Ti6 Cl18","formula_reduced":"TiCl3","formula_anonymous":"AB3","energy_above_hull":0.6141226339583332,"spacegroup":12}]}