{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=elements&page=3538","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=elements&page=3536","results":[{"id":"jvasp-80184","created_at":"2022-09-04T14:37:15.714123Z","updated_at":"2022-09-04T14:37:15.714151Z","structure_string":"Ti2 Os1 Rh1\n1.0\n-8.342774 0.000001 -4.816701\n-5.551369 0.273823 -0.018148\n-4.760461 2.510848 -1.388041\nTi Os Rh\n2 1 1\ndirect\n0.752007 -0.000000 -0.000000 Ti\n0.247993 -0.000000 -0.000000 Ti\n0.500000 -0.000000 -0.000000 Os\n0.000000 0.000000 0.000000 Rh\n","nsites":4,"nelements":3,"elements":["Ti","Os","Rh"],"chemical_system":"Os-Rh-Ti","density":10.145005511809464,"density_atomic":0.0628433458774272,"volume":63.65033471963444,"volume_molar":9.582781877568843,"formula_full":"Ti2 Os1 Rh1","formula_reduced":"Ti2OsRh","formula_anonymous":"ABC2","energy_above_hull":4.153638666666667,"spacegroup":71},{"id":"jvasp-109608","created_at":"2022-09-04T14:38:00.277136Z","updated_at":"2022-09-04T14:38:00.277166Z","structure_string":"Ti2 Os1 Rh1\n1.0\n3.793147 -0.000000 2.189974\n1.264382 3.576213 2.189974\n-0.000000 -0.000000 4.379949\nTi Os Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.749999 0.749999 Ti\n0.500000 0.500000 0.499999 Os\n0.000000 0.000000 0.000000 Rh\n","nsites":4,"nelements":3,"elements":["Ti","Os","Rh"],"chemical_system":"Os-Rh-Ti","density":10.868281391598622,"density_atomic":0.06732368610252418,"volume":59.41445324173995,"volume_molar":8.945055015004908,"formula_full":"Ti2 Os1 Rh1","formula_reduced":"Ti2OsRh","formula_anonymous":"ABC2","energy_above_hull":3.9366286666666666,"spacegroup":225},{"id":"jvasp-80025","created_at":"2022-09-04T14:36:51.011465Z","updated_at":"2022-09-04T14:36:51.011481Z","structure_string":"Ti2 Os1 Ru1\n1.0\n0.000000 3.087512 3.087512\n3.087512 -0.000000 3.087512\n3.087512 3.087512 0.000000\nTi Os Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.250000 0.250000 0.250000 Os\n0.750001 0.750001 0.750001 Ru\n","nsites":4,"nelements":3,"elements":["Ti","Os","Ru"],"chemical_system":"Os-Ru-Ti","density":10.91797907411797,"density_atomic":0.06795227997725733,"volume":58.86483869766759,"volume_molar":8.86230861130123,"formula_full":"Ti2 Os1 Ru1","formula_reduced":"Ti2OsRu","formula_anonymous":"ABC2","energy_above_hull":4.3324580416666665,"spacegroup":225},{"id":"jvasp-14121","created_at":"2022-09-04T14:38:02.012513Z","updated_at":"2022-09-04T14:38:02.012534Z","structure_string":"Ti2 P2 Cl18\n1.0\n6.822463 -0.065378 0.056659\n-0.889405 8.803935 0.084756\n-1.051659 -1.865178 9.098709\nTi P Cl\n2 2 18\ndirect\n0.381486 0.365314 0.318976 Ti\n0.618513 0.634685 0.681025 Ti\n0.048943 0.189094 0.776978 P\n0.951056 0.810905 0.223023 P\n0.736733 0.942717 0.233229 Cl\n0.263266 0.057282 0.766772 Cl\n0.063830 0.801225 0.421475 Cl\n0.936169 0.198774 0.578525 Cl\n0.714858 0.485282 0.449570 Cl\n0.158546 0.902355 0.121020 Cl\n0.285141 0.514717 0.550431 Cl\n0.515498 0.240456 0.122873 Cl\n0.053212 0.287817 0.242888 Cl\n0.841453 0.097644 0.878980 Cl\n0.585398 0.839044 0.560752 Cl\n0.414601 0.160955 0.439249 Cl\n0.625109 0.413758 0.783006 Cl\n0.374889 0.586241 0.216994 Cl\n0.844553 0.604268 0.113315 Cl\n0.946787 0.712182 0.757113 Cl\n0.484501 0.759543 0.877128 Cl\n0.155446 0.395731 0.886685 Cl\n","nsites":22,"nelements":3,"elements":["Ti","P","Cl"],"chemical_system":"Cl-P-Ti","density":2.4129192434214017,"density_atomic":0.0401691876839611,"volume":547.6834675644745,"volume_molar":14.991940607264363,"formula_full":"Ti2 P2 Cl18","formula_reduced":"TiPCl9","formula_anonymous":"ABC9","energy_above_hull":0.7497818582575759,"spacegroup":2},{"id":"jvasp-118126","created_at":"2022-09-04T14:38:44.628770Z","updated_at":"2022-09-04T14:38:44.628789Z","structure_string":"Ti2 P2 Cl2\n1.0\n3.461605 0.000000 0.000000\n0.000000 4.897063 0.000000\n0.000000 0.000000 7.221268\nTi P Cl\n2 2 2\ndirect\n0.499999 0.000000 0.119598 Ti\n0.000000 0.500000 0.880402 Ti\n0.000000 0.000000 0.875554 P\n0.499999 0.500000 0.124446 P\n0.499999 0.500000 0.637955 Cl\n0.000000 0.000000 0.362045 Cl\n","nsites":6,"nelements":3,"elements":["Ti","P","Cl"],"chemical_system":"Cl-P-Ti","density":3.1008085808257575,"density_atomic":0.049014501115122226,"volume":122.41275262411774,"volume_molar":12.286447118691607,"formula_full":"Ti2 P2 Cl2","formula_reduced":"TiPCl","formula_anonymous":"ABC","energy_above_hull":1.6678493002777777,"spacegroup":59},{"id":"jvasp-118127","created_at":"2022-09-04T14:38:52.650442Z","updated_at":"2022-09-04T14:38:52.650464Z","structure_string":"Ti1 P1 Cl2\n1.0\n3.462250 -0.000000 -0.000000\n0.000000 3.462250 -0.000000\n0.000000 0.000000 7.544921\nTi P Cl\n1 1 2\ndirect\n0.500000 0.500000 0.791202 Ti\n0.000000 0.000000 0.709521 P\n0.000000 0.000000 0.427271 Cl\n0.500000 0.500000 0.082006 Cl\n","nsites":4,"nelements":3,"elements":["Ti","P","Cl"],"chemical_system":"Cl-P-Ti","density":2.74938141806098,"density_atomic":0.04422709830136676,"volume":90.44228885973257,"volume_molar":13.616404854247236,"formula_full":"Ti1 P1 Cl2","formula_reduced":"TiPCl2","formula_anonymous":"ABC2","energy_above_hull":1.5309629920833334,"spacegroup":99},{"id":"jvasp-118129","created_at":"2022-09-04T14:38:52.874344Z","updated_at":"2022-09-04T14:38:52.874363Z","structure_string":"Ti1 P1 Cl1\n1.0\n2.909182 0.000000 -0.000000\n-0.000000 2.909182 0.000000\n-0.000000 0.000000 8.205271\nTi P Cl\n1 1 1\ndirect\n0.000000 0.000000 0.017027 Ti\n0.000000 0.000000 0.718311 P\n0.000000 0.000000 0.282792 Cl\n","nsites":3,"nelements":3,"elements":["Ti","P","Cl"],"chemical_system":"Cl-P-Ti","density":2.732982887634746,"density_atomic":0.04320027802487254,"volume":69.44399751947779,"volume_molar":13.94005093331287,"formula_full":"Ti1 P1 Cl1","formula_reduced":"TiPCl","formula_anonymous":"ABC","energy_above_hull":2.0578359669444444,"spacegroup":99},{"id":"jvasp-36688","created_at":"2022-09-04T14:37:45.273995Z","updated_at":"2022-09-04T14:37:45.274014Z","structure_string":"Ti4 P4 N12\n1.0\n-2.662768 4.153779 -0.732406\n0.004911 -0.004341 -6.401242\n-4.852982 -4.144623 0.496599\nTi P N\n4 4 12\ndirect\n0.250000 0.717809 0.717809 Ti\n0.750001 0.896924 0.896924 Ti\n0.750000 0.282191 0.282191 Ti\n0.250000 0.103076 0.103076 Ti\n0.205263 0.613124 0.213556 P\n0.705263 0.786444 0.386876 P\n0.794738 0.386876 0.786443 P\n0.294738 0.213556 0.613123 P\n0.368720 0.385857 0.145981 N\n0.361824 0.026218 0.784912 N\n0.093250 0.420092 0.710157 N\n0.631281 0.614143 0.854019 N\n0.131281 0.145981 0.385856 N\n0.138176 0.784912 0.026219 N\n0.406751 0.710157 0.420092 N\n0.861825 0.215088 0.973781 N\n0.638177 0.973782 0.215087 N\n0.906751 0.579908 0.289843 N\n0.868720 0.854019 0.614143 N\n0.593250 0.289843 0.579908 N\n","nsites":20,"nelements":3,"elements":["Ti","P","N"],"chemical_system":"N-P-Ti","density":4.019737413745298,"density_atomic":0.1001458376665314,"volume":199.70874941998684,"volume_molar":6.013371000053645,"formula_full":"Ti4 P4 N12","formula_reduced":"TiPN3","formula_anonymous":"ABC3","energy_above_hull":4.554342716666666,"spacegroup":15},{"id":"jvasp-36677","created_at":"2022-09-04T14:38:03.135646Z","updated_at":"2022-09-04T14:38:03.135666Z","structure_string":"Ti1 P1 N3\n1.0\n2.839972 0.000000 0.000000\n0.000000 4.523944 -2.202246\n0.000000 0.016979 5.031468\nTi P N\n1 1 3\ndirect\n0.000000 0.578372 0.421627 Ti\n0.500000 0.925496 0.074502 P\n0.500000 0.772902 0.718678 N\n0.000000 0.813856 0.186142 N\n0.500000 0.281321 0.227097 N\n","nsites":5,"nelements":3,"elements":["Ti","P","N"],"chemical_system":"N-P-Ti","density":3.0995307437256474,"density_atomic":0.07722024370103302,"volume":64.74986040393851,"volume_molar":7.798655470857364,"formula_full":"Ti1 P1 N3","formula_reduced":"TiPN3","formula_anonymous":"ABC3","energy_above_hull":4.569234716666666,"spacegroup":38},{"id":"jvasp-40494","created_at":"2022-09-04T14:38:13.197613Z","updated_at":"2022-09-04T14:38:13.197640Z","structure_string":"Ti3 P1 O7\n1.0\n4.033909 2.328979 2.359400\n-4.033909 2.328979 2.359400\n-0.000000 -4.657957 2.359400\nTi P O\n3 1 7\ndirect\n0.180681 0.535125 0.535115 Ti\n0.535125 0.535115 0.180681 Ti\n0.535114 0.180681 0.535125 Ti\n0.991280 0.991280 0.991281 P\n0.141798 0.826289 0.826259 O\n0.393087 0.793616 0.393072 O\n0.219228 0.219228 0.219228 O\n0.826289 0.826259 0.141798 O\n0.393072 0.393087 0.793616 O\n0.793616 0.393072 0.393087 O\n0.826259 0.141798 0.826289 O\n","nsites":11,"nelements":3,"elements":["Ti","P","O"],"chemical_system":"O-P-Ti","density":3.5779662537038766,"density_atomic":0.08270813965866768,"volume":132.9977925437139,"volume_molar":7.281194795159306,"formula_full":"Ti3 P1 O7","formula_reduced":"Ti3PO7","formula_anonymous":"AB3C7","energy_above_hull":3.1920759090909088,"spacegroup":160},{"id":"jvasp-14286","created_at":"2022-09-04T14:36:55.308900Z","updated_at":"2022-09-04T14:36:55.308920Z","structure_string":"Ti3 P1 O2\n1.0\n1.589871 -2.753738 -0.000000\n1.589871 2.753738 0.000000\n0.000000 -0.000000 7.981887\nTi P O\n3 1 2\ndirect\n0.666667 0.333332 0.709365 Ti\n0.333332 0.666667 0.290635 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 P\n0.666667 0.333332 0.141985 O\n0.333332 0.666667 0.858016 O\n","nsites":6,"nelements":3,"elements":["Ti","P","O"],"chemical_system":"O-P-Ti","density":4.9079910213157865,"density_atomic":0.08584819616769922,"volume":69.89081038207682,"volume_molar":7.014871632522268,"formula_full":"Ti3 P1 O2","formula_reduced":"Ti3PO2","formula_anonymous":"AB2C3","energy_above_hull":3.237366250000001,"spacegroup":164},{"id":"jvasp-21363","created_at":"2022-09-04T14:36:49.701074Z","updated_at":"2022-09-04T14:36:49.701084Z","structure_string":"Ti2 P4 O14\n1.0\n6.375687 -0.275954 0.147365\n-0.364824 -6.467639 0.180537\n-3.027838 0.365166 -6.256163\nTi P O\n2 4 14\ndirect\n0.096190 0.342312 0.202153 Ti\n0.903811 0.657687 0.797847 Ti\n0.321213 0.630194 0.659053 P\n0.678788 0.369805 0.340947 P\n0.223834 0.856610 0.283842 P\n0.776167 0.143389 0.716158 P\n0.942400 0.330566 0.875009 O\n0.082437 0.057720 0.219888 O\n0.229098 0.438328 0.497941 O\n0.785413 0.182627 0.492344 O\n0.589872 0.649803 0.776680 O\n0.057601 0.669433 0.124991 O\n0.917563 0.942279 0.780111 O\n0.214588 0.817372 0.507656 O\n0.780949 0.363302 0.182375 O\n0.459604 0.861645 0.297055 O\n0.540397 0.138354 0.702945 O\n0.410129 0.350196 0.223319 O\n0.219052 0.636697 0.817625 O\n0.770902 0.561671 0.502059 O\n","nsites":20,"nelements":3,"elements":["Ti","P","O"],"chemical_system":"O-P-Ti","density":2.883937980000305,"density_atomic":0.07829879219090691,"volume":255.43178177303562,"volume_molar":7.691230722074114,"formula_full":"Ti2 P4 O14","formula_reduced":"TiP2O7","formula_anonymous":"AB2C7","energy_above_hull":2.9446973833333328,"spacegroup":2}]}