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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=1581",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=1579",
"results": [
{
"id": "jvasp-22647",
"created_at": "2022-09-04T14:38:14.275548Z",
"updated_at": "2022-09-04T14:38:14.275575Z",
"structure_string": "Cd2 Br4\n1.0\n3.953345 -0.012291 12.132857\n1.916616 3.457699 12.132857\n-0.020940 -0.012291 12.760671\nCd Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500001 0.499999 Cd\n0.208620 0.208620 0.208619 Br\n0.791382 0.791381 0.791378 Br\n0.624730 0.624729 0.624727 Br\n0.375272 0.375272 0.375270 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cd",
"Br"
],
"chemical_system": "Br-Cd",
"density": 5.139113114456776,
"density_atomic": 0.0341068726659592,
"volume": 175.91762395701488,
"volume_molar": 17.65667822723153,
"formula_full": "Cd2 Br4",
"formula_reduced": "CdBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.3333333333331804e-05,
"spacegroup": 166
},
{
"id": "jvasp-28430",
"created_at": "2022-09-04T14:37:03.758742Z",
"updated_at": "2022-09-04T14:37:03.758762Z",
"structure_string": "Cd2 I2 Br2\n1.0\n-2.084250 -3.610027 -0.000000\n2.084250 -3.610027 -0.000000\n-0.000000 -2.406685 13.102090\nCd I Br\n2 2 2\ndirect\n0.711667 0.711667 0.865003 Cd\n0.212137 0.212137 0.363592 Cd\n0.000168 0.000168 0.999498 I\n0.833989 0.833989 0.498035 I\n0.584583 0.584583 0.246253 Br\n0.417461 0.417461 0.747618 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cd",
"I",
"Br"
],
"chemical_system": "Br-Cd-I",
"density": 5.376970218923871,
"density_atomic": 0.03043129374146042,
"volume": 197.16545904932846,
"volume_molar": 19.789302456751194,
"formula_full": "Cd2 I2 Br2",
"formula_reduced": "CdIBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 160
},
{
"id": "jvasp-92631",
"created_at": "2022-09-04T14:36:31.106617Z",
"updated_at": "2022-09-04T14:36:31.106642Z",
"structure_string": "Cd1 Br2 N2\n1.0\n0.000000 0.000000 -3.901141\n-3.791738 -4.073470 0.000000\n-3.791738 4.073470 0.000000\nCd Br N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.748907 0.748907 Br\n0.500000 0.251094 0.251094 Br\n0.000000 0.301270 0.698731 N\n0.000000 0.698731 0.301270 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cd",
"Br",
"N"
],
"chemical_system": "Br-Cd-N",
"density": 4.136968071818059,
"density_atomic": 0.04149019902036503,
"volume": 120.51038843042915,
"volume_molar": 14.514610443406395,
"formula_full": "Cd1 Br2 N2",
"formula_reduced": "Cd(BrN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.0647388920000003,
"spacegroup": 65
},
{
"id": "jvasp-13005",
"created_at": "2022-09-04T14:36:59.525323Z",
"updated_at": "2022-09-04T14:36:59.525352Z",
"structure_string": "Cd4 P6 Br2\n1.0\n6.106035 0.001422 -0.737294\n-0.813020 6.051667 -0.737294\n-0.010057 -0.011502 7.604485\nCd P Br\n4 6 2\ndirect\n0.643987 0.350825 0.413091 Cd\n0.350825 0.643987 0.913090 Cd\n0.145516 0.852368 0.500297 Cd\n0.852368 0.145516 0.000297 Cd\n0.944879 0.551443 0.956663 P\n0.551443 0.944879 0.456663 P\n0.680515 0.585434 0.739054 P\n0.585434 0.680515 0.239055 P\n0.815799 0.910913 0.674292 P\n0.910914 0.815799 0.174292 P\n0.123240 0.373083 0.456604 Br\n0.373082 0.123241 0.956603 Br\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cd",
"P",
"Br"
],
"chemical_system": "Br-Cd-P",
"density": 4.701316136569576,
"density_atomic": 0.04271924673686628,
"volume": 280.9038294592428,
"volume_molar": 14.097020008554955,
"formula_full": "Cd4 P6 Br2",
"formula_reduced": "Cd2P3Br",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.8766250175000001,
"spacegroup": 15
},
{
"id": "jvasp-58854",
"created_at": "2022-09-04T14:38:01.188386Z",
"updated_at": "2022-09-04T14:38:01.188407Z",
"structure_string": "Rb8 Cd2 Br12\n1.0\n9.239878 0.078945 0.056649\n0.056784 9.240041 0.056649\n0.078756 0.078945 9.239716\nRb Cd Br\n8 2 12\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.749999 0.750001 Rb\n0.871212 0.628788 0.250000 Rb\n0.250000 0.871211 0.628789 Rb\n0.628789 0.249999 0.871212 Rb\n0.128789 0.371211 0.750000 Rb\n0.750000 0.128788 0.371212 Rb\n0.371211 0.750000 0.128789 Rb\n0.000000 0.000000 0.000000 Cd\n0.500000 0.499999 0.500000 Cd\n0.706833 0.930847 0.059804 Br\n0.430847 0.206833 0.559804 Br\n0.440196 0.569152 0.793167 Br\n0.793167 0.440195 0.569153 Br\n0.569153 0.793166 0.440197 Br\n0.069153 0.940196 0.293167 Br\n0.293167 0.069152 0.940197 Br\n0.940196 0.293166 0.069153 Br\n0.559804 0.430847 0.206834 Br\n0.206834 0.559803 0.430847 Br\n0.059804 0.706833 0.930848 Br\n0.930847 0.059803 0.706834 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Rb",
"Cd",
"Br"
],
"chemical_system": "Br-Cd-Rb",
"density": 3.9315019667350546,
"density_atomic": 0.027892782628074018,
"volume": 788.7345014425722,
"volume_molar": 21.5903190452527,
"formula_full": "Rb8 Cd2 Br12",
"formula_reduced": "Rb4CdBr6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-117771",
"created_at": "2022-09-04T14:38:26.029164Z",
"updated_at": "2022-09-04T14:38:26.029182Z",
"structure_string": "Rb1 Cd1 Br1\n1.0\n6.068825 -0.000000 0.000000\n-3.034412 5.255756 0.000000\n-0.000000 -0.000000 4.231276\nRb Cd Br\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Rb\n0.333333 0.666667 0.000000 Cd\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Cd",
"Br"
],
"chemical_system": "Br-Cd-Rb",
"density": 3.4177735529408895,
"density_atomic": 0.022228496611807664,
"volume": 134.96189384244795,
"volume_molar": 27.09198406517996,
"formula_full": "Rb1 Cd1 Br1",
"formula_reduced": "RbCdBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-117770",
"created_at": "2022-09-04T14:38:51.662731Z",
"updated_at": "2022-09-04T14:38:51.662760Z",
"structure_string": "Rb2 Cd1 Br1\n1.0\n-2.568018 9.416116 2.605722\n2.568018 -9.416116 2.605722\n2.568018 9.416116 -2.605722\nRb Cd Br\n2 1 1\ndirect\n0.163281 -0.000000 0.163281 Rb\n0.836720 -0.000000 0.836720 Rb\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Cd",
"Br"
],
"chemical_system": "Br-Cd-Rb",
"density": 2.39330199681109,
"density_atomic": 0.015870918325768726,
"volume": 252.03330506120892,
"volume_molar": 37.944500982165515,
"formula_full": "Rb2 Cd1 Br1",
"formula_reduced": "Rb2CdBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-117769",
"created_at": "2022-09-04T14:38:53.684281Z",
"updated_at": "2022-09-04T14:38:53.684309Z",
"structure_string": "Rb1 Cd1 Br1\n1.0\n5.757319 0.000000 0.000000\n0.000000 5.757319 0.000000\n0.000000 -0.000000 9.441790\nRb Cd Br\n1 1 1\ndirect\n0.000000 0.000000 -0.030845 Rb\n0.000000 0.000000 0.593778 Cd\n0.000000 0.000000 0.296403 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Cd",
"Br"
],
"chemical_system": "Br-Cd-Rb",
"density": 1.47387117420582,
"density_atomic": 0.009585755139887605,
"volume": 312.9643889521651,
"volume_molar": 62.8238534379109,
"formula_full": "Rb1 Cd1 Br1",
"formula_reduced": "RbCdBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0996366666666666,
"spacegroup": 99
},
{
"id": "jvasp-55943",
"created_at": "2022-09-04T14:38:08.082366Z",
"updated_at": "2022-09-04T14:38:08.082379Z",
"structure_string": "Rb4 Cd4 Br12\n1.0\n4.243091 0.000000 0.000000\n0.000000 9.431519 0.000000\n0.000000 0.000000 15.661753\nRb Cd Br\n4 4 12\ndirect\n0.750000 0.572585 0.826779 Rb\n0.250000 0.427415 0.173220 Rb\n0.750000 0.072585 0.673220 Rb\n0.250000 0.927415 0.326779 Rb\n0.750000 0.834753 0.057617 Cd\n0.250000 0.165247 0.942382 Cd\n0.750000 0.334753 0.442382 Cd\n0.250000 0.665247 0.557617 Cd\n0.250000 0.028450 0.103381 Br\n0.750000 0.971550 0.896619 Br\n0.250000 0.666127 0.995351 Br\n0.750000 0.333873 0.004649 Br\n0.250000 0.166127 0.504649 Br\n0.250000 0.288372 0.788028 Br\n0.250000 0.788372 0.711972 Br\n0.750000 0.211628 0.288028 Br\n0.750000 0.471550 0.603381 Br\n0.750000 0.711628 0.211972 Br\n0.750000 0.833873 0.495351 Br\n0.250000 0.528450 0.396619 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Cd",
"Br"
],
"chemical_system": "Br-Cd-Rb",
"density": 4.637382417301257,
"density_atomic": 0.03190991410764142,
"volume": 626.7644573574903,
"volume_molar": 18.87231892785912,
"formula_full": "Rb4 Cd4 Br12",
"formula_reduced": "RbCdBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-117772",
"created_at": "2022-09-04T14:38:53.986260Z",
"updated_at": "2022-09-04T14:38:53.986285Z",
"structure_string": "Cd1 S1 Br1\n1.0\n5.001663 -0.000000 -0.000000\n-2.500831 4.331567 0.000000\n0.000000 0.000000 3.913254\nCd S Br\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Cd\n0.666667 0.333334 0.000000 S\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cd",
"S",
"Br"
],
"chemical_system": "Br-Cd-S",
"density": 4.3947658412863575,
"density_atomic": 0.03538537103923565,
"volume": 84.78079816299143,
"volume_molar": 17.018730009422793,
"formula_full": "Cd1 S1 Br1",
"formula_reduced": "CdSBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0563612849999998,
"spacegroup": 187
},
{
"id": "jvasp-117773",
"created_at": "2022-09-04T14:38:51.686576Z",
"updated_at": "2022-09-04T14:38:51.686591Z",
"structure_string": "Cd1 S1 Br1\n1.0\n3.457774 0.000000 -0.000000\n-0.000000 3.457774 -0.000000\n-0.000000 0.000000 8.300729\nCd S Br\n1 1 1\ndirect\n0.000000 0.000000 0.657688 Cd\n0.000000 0.000000 -0.062132 S\n0.000000 0.000000 0.364672 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cd",
"S",
"Br"
],
"chemical_system": "Br-Cd-S",
"density": 3.75425525211956,
"density_atomic": 0.030228166839798128,
"volume": 99.24518466168539,
"volume_molar": 19.92228239282874,
"formula_full": "Cd1 S1 Br1",
"formula_reduced": "CdSBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0147279516666665,
"spacegroup": 99
},
{
"id": "jvasp-117774",
"created_at": "2022-09-04T14:38:51.464673Z",
"updated_at": "2022-09-04T14:38:51.464694Z",
"structure_string": "Cd1 Sb1 Br1\n1.0\n5.485917 -0.000000 0.000000\n-2.742959 4.750944 -0.000000\n0.000000 -0.000000 3.335609\nCd Sb Br\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Cd\n0.666667 0.333333 0.000000 Sb\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cd",
"Sb",
"Br"
],
"chemical_system": "Br-Cd-Sb",
"density": 5.9989906491940985,
"density_atomic": 0.03450777628259678,
"volume": 86.93692619981955,
"volume_molar": 17.45154689390151,
"formula_full": "Cd1 Sb1 Br1",
"formula_reduced": "CdSbBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0144166666666666,
"spacegroup": 187
}
]
}