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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=3864",
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"results": [
{
"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": [
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"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",
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"spacegroup": 166
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{
"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,
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"Br"
],
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"density": 6.4666923390704145,
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"volume": 122.65481180528646,
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"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-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,
"nelements": 2,
"elements": [
"Tb",
"C"
],
"chemical_system": "C-Tb",
"density": 7.975623739292249,
"density_atomic": 0.04368228185239048,
"volume": 68.67773094220414,
"volume_molar": 13.786232093712025,
"formula_full": "Tb2 C1",
"formula_reduced": "Tb2C",
"formula_anonymous": "AB2",
"energy_above_hull": 2.5237556000000003,
"spacegroup": 166
},
{
"id": "jvasp-59789",
"created_at": "2022-09-04T14:37:29.311256Z",
"updated_at": "2022-09-04T14:37:29.311276Z",
"structure_string": "Tb2 Cd2 F12\n1.0\n5.214284 0.000000 0.000000\n-0.000000 5.214284 0.000000\n0.000000 0.000000 7.861876\nTb Cd F\n2 2 12\ndirect\n0.500000 0.500000 0.750000 Tb\n0.500000 0.500000 0.250000 Tb\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.629717 0.282451 0.500000 F\n0.717548 0.629717 0.000000 F\n0.282451 0.370282 0.000000 F\n0.370282 0.717548 0.500000 F\n0.149618 0.281942 0.324937 F\n0.718057 0.149618 0.824937 F\n0.281942 0.850382 0.824937 F\n0.850382 0.718057 0.324937 F\n0.850382 0.718057 0.675064 F\n0.281942 0.850382 0.175064 F\n0.718057 0.149618 0.175064 F\n0.149618 0.281942 0.675064 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tb",
"Cd",
"F"
],
"chemical_system": "Cd-F-Tb",
"density": 5.98677203324957,
"density_atomic": 0.07485217592241868,
"volume": 213.75464110199505,
"volume_molar": 8.045378355121848,
"formula_full": "Tb2 Cd2 F12",
"formula_reduced": "TbCdF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 84
},
{
"id": "jvasp-18655",
"created_at": "2022-09-04T14:37:04.843411Z",
"updated_at": "2022-09-04T14:37:04.843435Z",
"structure_string": "Tb2 Cd6\n1.0\n3.305488 -5.725274 0.000000\n3.305488 5.725274 0.000000\n0.000000 0.000000 4.955355\nTb Cd\n2 6\ndirect\n0.333333 0.666667 0.250000 Tb\n0.666667 0.333333 0.750001 Tb\n0.837313 0.674627 0.250000 Cd\n0.162688 0.837313 0.750001 Cd\n0.674627 0.837313 0.750001 Cd\n0.325373 0.162687 0.250000 Cd\n0.837313 0.162688 0.250000 Cd\n0.162687 0.325373 0.750001 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Cd"
],
"chemical_system": "Cd-Tb",
"density": 8.785424858913661,
"density_atomic": 0.042653370767671055,
"volume": 187.55844745718355,
"volume_molar": 14.118792141427791,
"formula_full": "Tb2 Cd6",
"formula_reduced": "TbCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-50798",
"created_at": "2022-09-04T14:37:07.631004Z",
"updated_at": "2022-09-04T14:37:07.631013Z",
"structure_string": "Tb2 Ce2 O8\n1.0\n-0.201037 0.000000 5.454086\n2.626176 -5.440391 2.827675\n2.626176 5.440391 2.827675\nTb Ce O\n2 2 8\ndirect\n0.250000 0.374997 0.125003 Tb\n0.750001 0.625004 0.874998 Tb\n0.750001 0.125002 0.374998 Ce\n0.250000 0.874999 0.625003 Ce\n0.246537 0.000008 0.000021 O\n0.253464 0.499980 0.499993 O\n0.746589 0.753450 0.253431 O\n0.753413 0.246570 0.746551 O\n0.246588 0.753431 0.253450 O\n0.253413 0.246551 0.746570 O\n0.746538 0.500021 0.500008 O\n0.753464 -0.000008 -0.000021 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Ce",
"O"
],
"chemical_system": "Ce-O-Tb",
"density": 7.440863671153299,
"density_atomic": 0.07405805093774243,
"volume": 162.03505018094398,
"volume_molar": 8.131649002027567,
"formula_full": "Tb2 Ce2 O8",
"formula_reduced": "TbCeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.896301316666667,
"spacegroup": 141
},
{
"id": "jvasp-50373",
"created_at": "2022-09-04T14:36:39.726071Z",
"updated_at": "2022-09-04T14:36:39.726092Z",
"structure_string": "Tb2 Ce2 O8\n1.0\n3.811332 -0.005020 -0.007836\n0.007194 5.581576 0.000008\n0.589770 0.000229 7.602907\nTb Ce O\n2 2 8\ndirect\n0.773434 0.245067 0.125908 Tb\n0.229334 0.745059 0.873071 Tb\n0.268162 0.745058 0.374519 Ce\n0.734611 0.245058 0.624461 Ce\n0.274285 0.993425 0.120044 O\n0.274285 0.496707 0.120070 O\n0.766649 0.498071 0.373960 O\n0.766656 0.991995 0.373957 O\n0.236124 0.492043 0.625025 O\n0.236117 0.998118 0.625019 O\n0.728477 0.996702 0.878937 O\n0.728490 0.493419 0.878908 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Ce",
"O"
],
"chemical_system": "Ce-O-Tb",
"density": 7.453307144953971,
"density_atomic": 0.07418189938562426,
"volume": 161.76452880533125,
"volume_molar": 8.118073020339828,
"formula_full": "Tb2 Ce2 O8",
"formula_reduced": "TbCeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.894521316666667,
"spacegroup": 11
},
{
"id": "jvasp-12135",
"created_at": "2022-09-04T14:36:53.099626Z",
"updated_at": "2022-09-04T14:36:53.099648Z",
"structure_string": "Tb2 Cl2\n1.0\n3.696790 0.023273 8.733753\n1.791088 3.234007 8.733753\n0.039210 0.023273 9.483836\nTb Cl\n2 2\ndirect\n0.116418 0.116418 0.116418 Tb\n0.883583 0.883581 0.883582 Tb\n0.613494 0.613493 0.613493 Cl\n0.386507 0.386507 0.386507 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Cl"
],
"chemical_system": "Cl-Tb",
"density": 5.789580880081604,
"density_atomic": 0.03587402713656632,
"volume": 111.5012815475854,
"volume_molar": 16.786910309998753,
"formula_full": "Tb2 Cl2",
"formula_reduced": "TbCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-8667",
"created_at": "2022-09-04T14:37:02.292476Z",
"updated_at": "2022-09-04T14:37:02.292496Z",
"structure_string": "Tb2 Cl2\n1.0\n3.702941 0.026784 8.750755\n1.796914 3.237837 8.750755\n0.045123 0.026784 9.501865\nTb Cl\n2 2\ndirect\n0.216823 0.216823 0.216824 Tb\n0.783176 0.783175 0.783180 Tb\n0.386745 0.386745 0.386747 Cl\n0.613253 0.613253 0.613257 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Cl"
],
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"density": 5.776652226644078,
"density_atomic": 0.035793917216027385,
"volume": 111.75083117778811,
"volume_molar": 16.824480884990916,
"formula_full": "Tb2 Cl2",
"formula_reduced": "TbCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.0001550000000001,
"spacegroup": 166
},
{
"id": "jvasp-57570",
"created_at": "2022-09-04T14:37:19.907133Z",
"updated_at": "2022-09-04T14:37:19.907147Z",
"structure_string": "Tb2 Cl4 F2\n1.0\n5.089161 0.014164 1.514418\n1.796966 4.761373 1.514418\n0.022143 0.015357 6.847898\nTb Cl F\n2 4 2\ndirect\n0.234863 0.765137 0.750001 Tb\n0.765137 0.234862 0.250000 Tb\n0.331322 0.287185 0.603406 Cl\n0.668678 0.712815 0.396595 Cl\n0.287185 0.331322 0.103405 Cl\n0.712815 0.668677 0.896595 Cl\n0.000000 0.000000 0.000000 F\n-0.000000 0.000000 0.500000 F\n",
"nsites": 8,
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"elements": [
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"Cl",
"F"
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"chemical_system": "Cl-F-Tb",
"density": 4.99252524899473,
"density_atomic": 0.048331342085967836,
"volume": 165.52406067620169,
"volume_molar": 12.460114906985842,
"formula_full": "Tb2 Cl4 F2",
"formula_reduced": "TbCl2F",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-57020",
"created_at": "2022-09-04T14:36:52.210698Z",
"updated_at": "2022-09-04T14:36:52.210719Z",
"structure_string": "Tb2 Cl6\n1.0\n3.663393 -6.345182 -0.000000\n3.663393 6.345182 0.000000\n0.000000 -0.000000 4.068153\nTb Cl\n2 6\ndirect\n0.666667 0.333333 0.250000 Tb\n0.333333 0.666667 0.749999 Tb\n0.699406 0.611896 0.749999 Cl\n0.611896 0.912488 0.250000 Cl\n0.388103 0.087511 0.749999 Cl\n0.912488 0.300593 0.749999 Cl\n0.300593 0.388103 0.250000 Cl\n0.087511 0.699406 0.250000 Cl\n",
"nsites": 8,
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"elements": [
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"density": 4.65839010837516,
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"volume": 189.12758128204024,
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"formula_full": "Tb2 Cl6",
"formula_reduced": "TbCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0013299999999999,
"spacegroup": 176
}
]
}