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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=904",
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"results": [
{
"id": "jvasp-56597",
"created_at": "2022-09-04T14:37:09.233467Z",
"updated_at": "2022-09-04T14:37:09.233488Z",
"structure_string": "Tb8 Bi6\n1.0\n7.674113 -0.000000 -2.713209\n-3.837056 6.645976 -2.713209\n0.000000 0.000000 8.139626\nTb Bi\n8 6\ndirect\n0.353440 0.500000 -0.000000 Tb\n0.853440 0.500000 -0.000000 Tb\n0.646559 0.646560 0.646560 Tb\n0.500000 0.000000 0.353440 Tb\n0.146560 0.146560 0.146560 Tb\n-0.000000 0.853441 0.500000 Tb\n0.500000 -0.000000 0.853440 Tb\n-0.000000 0.353440 0.500000 Tb\n0.875000 0.125000 0.750000 Bi\n0.749999 0.875001 0.125000 Bi\n0.250000 0.625000 0.375000 Bi\n0.625000 0.375000 0.250000 Bi\n0.125000 0.750000 0.875000 Bi\n0.375000 0.250000 0.625000 Bi\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Bi-Tb",
"density": 10.101087243125779,
"density_atomic": 0.03372380946097951,
"volume": 415.13696773191793,
"volume_molar": 17.857237531151345,
"formula_full": "Tb8 Bi6",
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"formula_anonymous": "A3B4",
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"spacegroup": 220
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{
"id": "jvasp-106610",
"created_at": "2022-09-04T14:36:43.331647Z",
"updated_at": "2022-09-04T14:36:43.331673Z",
"structure_string": "Tb3 Bi1\n1.0\n4.361877 0.018414 -4.483217\n-0.706698 4.304288 -4.483217\n-0.015570 -0.018414 6.254995\nTb Bi\n3 1\ndirect\n0.750000 0.250000 0.500000 Tb\n0.250000 0.750001 0.500000 Tb\n0.500000 0.500000 -0.000001 Tb\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "Bi-Tb",
"density": 9.74936784816165,
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"volume": 116.79991904425357,
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"formula_full": "Tb3 Bi1",
"formula_reduced": "Tb3Bi",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-18320",
"created_at": "2022-09-04T14:38:06.897436Z",
"updated_at": "2022-09-04T14:38:06.897461Z",
"structure_string": "Tb1 Bi1\n1.0\n3.877815 -0.000000 2.238858\n1.292605 3.656039 2.238858\n-0.000000 -0.000000 4.477715\nTb Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500001 0.500000 0.500000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tb",
"Bi"
],
"chemical_system": "Bi-Tb",
"density": 9.623461627837091,
"density_atomic": 0.031504721272402676,
"volume": 63.48254862206791,
"volume_molar": 19.11504218028185,
"formula_full": "Tb1 Bi1",
"formula_reduced": "TbBi",
"formula_anonymous": "AB",
"energy_above_hull": 0.3104263499999999,
"spacegroup": 225
},
{
"id": "jvasp-18473",
"created_at": "2022-09-04T14:36:37.006551Z",
"updated_at": "2022-09-04T14:36:37.006566Z",
"structure_string": "Tb2 Br2\n1.0\n3.771713 0.023202 9.292370\n1.832836 3.296523 9.292370\n0.039170 0.023202 10.028580\nTb Br\n2 2\ndirect\n0.880526 0.880523 0.880525 Tb\n0.119475 0.119475 0.119475 Tb\n0.612690 0.612688 0.612690 Br\n0.387311 0.387310 0.387311 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Br"
],
"chemical_system": "Br-Tb",
"density": 6.4666923390704145,
"density_atomic": 0.03261184735540558,
"volume": 122.65481180528646,
"volume_molar": 18.466113539568617,
"formula_full": "Tb2 Br2",
"formula_reduced": "TbBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"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 0.822297 0.902279 Br\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Tb",
"Br"
],
"chemical_system": "Br-Tb",
"density": 6.070364303319456,
"density_atomic": 0.033143825920937446,
"volume": 392.2299142836044,
"volume_molar": 18.16972118537385,
"formula_full": "Tb5 Br8",
"formula_reduced": "Tb5Br8",
"formula_anonymous": "A5B8",
"energy_above_hull": 0.6655038461538463,
"spacegroup": 12
},
{
"id": "jvasp-52093",
"created_at": "2022-09-04T14:38:10.336742Z",
"updated_at": "2022-09-04T14:38:10.336760Z",
"structure_string": "Tb6 Br7\n1.0\n3.693938 -0.000000 0.676528\n1.164653 9.735233 4.063801\n-0.042924 0.193167 10.657349\nTb Br\n6 7\ndirect\n0.128087 0.299780 0.444047 Tb\n0.871914 0.700220 0.555953 Tb\n0.319408 0.002073 0.359114 Tb\n0.680594 -0.002073 0.640887 Tb\n0.774363 0.300463 0.150812 Tb\n0.225638 0.699537 0.849188 Tb\n0.500000 0.500000 0.500000 Br\n0.048244 0.169793 0.733720 Br\n0.951757 0.830207 0.266280 Br\n0.163297 0.515325 0.158082 Br\n0.836704 0.484675 0.841918 Br\n0.397660 0.152450 0.052228 Br\n0.602340 0.847550 0.947772 Br\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Tb",
"Br"
],
"chemical_system": "Br-Tb",
"density": 6.59736574311006,
"density_atomic": 0.03413974756699022,
"volume": 380.7878184948773,
"volume_molar": 17.63967571284217,
"formula_full": "Tb6 Br7",
"formula_reduced": "Tb6Br7",
"formula_anonymous": "A6B7",
"energy_above_hull": 0.8280646153846155,
"spacegroup": 12
},
{
"id": "jvasp-5413",
"created_at": "2022-09-04T14:38:04.392120Z",
"updated_at": "2022-09-04T14:38:04.392146Z",
"structure_string": "Tb2 Br2\n1.0\n3.771713 0.023202 9.292370\n1.832836 3.296523 9.292370\n0.039170 0.023202 10.028580\nTb Br\n2 2\ndirect\n0.880526 0.880523 0.880525 Tb\n0.119475 0.119475 0.119475 Tb\n0.612690 0.612688 0.612690 Br\n0.387311 0.387310 0.387311 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Br"
],
"chemical_system": "Br-Tb",
"density": 6.4666923390704145,
"density_atomic": 0.03261184735540558,
"volume": 122.65481180528646,
"volume_molar": 18.466113539568617,
"formula_full": "Tb2 Br2",
"formula_reduced": "TbBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-33838",
"created_at": "2022-09-04T14:37:59.115331Z",
"updated_at": "2022-09-04T14:37:59.115340Z",
"structure_string": "Tb2 Br6\n1.0\n9.575185 0.000000 -0.000000\n-4.787594 8.292356 0.000000\n-0.000000 -0.000000 3.763713\nTb Br\n2 6\ndirect\n0.333333 0.666667 0.750001 Tb\n0.666666 0.333333 0.250000 Tb\n0.205932 0.411864 0.250000 Br\n0.588136 0.794069 0.250000 Br\n0.205933 0.794069 0.250000 Br\n0.794067 0.588136 0.750001 Br\n0.411865 0.205933 0.750001 Br\n0.794068 0.205933 0.750001 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Br"
],
"chemical_system": "Br-Tb",
"density": 4.430119782826829,
"density_atomic": 0.026770000277257934,
"volume": 298.84198420409746,
"volume_molar": 22.495856173434646,
"formula_full": "Tb2 Br6",
"formula_reduced": "TbBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-34153",
"created_at": "2022-09-04T14:37:20.129604Z",
"updated_at": "2022-09-04T14:37:20.129624Z",
"structure_string": "Tb6 Br7\n1.0\n3.693849 -0.000000 0.676512\n1.164623 9.735090 4.063714\n-0.042966 0.193085 10.657321\nTb Br\n6 7\ndirect\n0.128085 0.299782 0.444046 Tb\n0.871913 0.700217 0.555954 Tb\n0.319407 0.002075 0.359112 Tb\n0.680592 -0.002075 0.640888 Tb\n0.774362 0.300459 0.150816 Tb\n0.225636 0.699541 0.849183 Tb\n0.499999 0.500000 0.500000 Br\n0.048249 0.169783 0.733718 Br\n0.951750 0.830216 0.266282 Br\n0.163300 0.515318 0.158083 Br\n0.836699 0.484682 0.841917 Br\n0.397660 0.152451 0.052228 Br\n0.602339 0.847549 0.947771 Br\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Tb",
"Br"
],
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"density": 6.597613746302057,
"density_atomic": 0.03414103092260522,
"volume": 380.77350474477123,
"volume_molar": 17.639012640396462,
"formula_full": "Tb6 Br7",
"formula_reduced": "Tb6Br7",
"formula_anonymous": "A6B7",
"energy_above_hull": 0.8280646153846155,
"spacegroup": 12
},
{
"id": "jvasp-58351",
"created_at": "2022-09-04T14:37:49.330416Z",
"updated_at": "2022-09-04T14:37:49.330427Z",
"structure_string": "Tb8 C12\n1.0\n6.755537 0.000000 -2.388443\n-3.377768 5.850466 -2.388443\n-0.000000 -0.000000 7.165328\nTb C\n8 12\ndirect\n0.101929 0.101929 0.101929 Tb\n0.000000 0.898071 0.500001 Tb\n0.500000 0.000000 0.898071 Tb\n0.000000 0.398071 0.500000 Tb\n0.500000 0.000000 0.398071 Tb\n0.398071 0.500000 0.000001 Tb\n0.601930 0.601930 0.601930 Tb\n0.898071 0.500000 0.000001 Tb\n0.794533 0.044532 0.750001 C\n0.044532 0.750001 0.794533 C\n0.750000 0.794533 0.044533 C\n0.705468 0.455468 0.250001 C\n0.250000 0.705468 0.455469 C\n0.955468 0.205468 0.750001 C\n0.205468 0.750001 0.955469 C\n0.544532 0.294532 0.250001 C\n0.294532 0.250000 0.544533 C\n0.750000 0.955468 0.205469 C\n0.250000 0.544533 0.294533 C\n0.455468 0.250000 0.705468 C\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Tb",
"C"
],
"chemical_system": "C-Tb",
"density": 8.300077193039465,
"density_atomic": 0.07062258068578471,
"volume": 283.1955417911499,
"volume_molar": 8.527217076353836,
"formula_full": "Tb8 C12",
"formula_reduced": "Tb2C3",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.38465336,
"spacegroup": 220
},
{
"id": "jvasp-20586",
"created_at": "2022-09-04T14:38:15.415858Z",
"updated_at": "2022-09-04T14:38:15.415877Z",
"structure_string": "Tb1 C2\n1.0\n3.282018 0.000000 -1.675146\n-0.854997 3.168693 -1.675146\n0.006237 0.008144 4.064929\nTb C\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.603726 0.603726 0.207453 C\n0.396274 0.396272 0.792545 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tb",
"C"
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"density": 7.171017122071265,
"density_atomic": 0.07081548240087407,
"volume": 42.36361736572695,
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"formula_full": "Tb1 C2",
"formula_reduced": "TbC2",
"formula_anonymous": "AB2",
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"spacegroup": 139
},
{
"id": "jvasp-18938",
"created_at": "2022-09-04T14:36:14.141690Z",
"updated_at": "2022-09-04T14:36:14.141711Z",
"structure_string": "Tb2 C1\n1.0\n3.481791 0.024339 5.490115\n1.612387 3.086044 5.490115\n0.039862 0.024339 6.500973\nTb C\n2 1\ndirect\n0.740246 0.740246 0.740247 Tb\n0.259754 0.259754 0.259754 Tb\n0.000000 0.000000 0.000000 C\n",
"nsites": 3,
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"elements": [
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],
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"density": 7.975623739292249,
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"volume": 68.67773094220414,
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"formula_full": "Tb2 C1",
"formula_reduced": "Tb2C",
"formula_anonymous": "AB2",
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"spacegroup": 166
}
]
}