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{
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"results": [
{
"id": "jvasp-54450",
"created_at": "2022-09-04T14:37:44.316772Z",
"updated_at": "2022-09-04T14:37:44.316799Z",
"structure_string": "Tb3 Mn4 Ge4\n1.0\n4.116251 0.015992 -0.025940\n-0.027687 7.048815 -0.017765\n-2.001048 -3.514833 6.861443\nTb Mn Ge\n3 4 4\ndirect\n0.879561 0.877846 0.751899 Tb\n0.003636 0.501919 0.000062 Tb\n0.127720 0.125973 0.248203 Tb\n0.325645 0.134423 0.644024 Mn\n0.681637 0.490464 0.356099 Mn\n0.325680 0.513324 0.644021 Mn\n0.681643 0.869356 0.356071 Mn\n0.224104 0.722374 0.441003 Ge\n0.503635 0.203033 0.000057 Ge\n0.503626 0.800785 0.000037 Ge\n0.783211 0.281403 0.559113 Ge\n",
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{
"id": "jvasp-18226",
"created_at": "2022-09-04T14:38:10.126135Z",
"updated_at": "2022-09-04T14:38:10.126164Z",
"structure_string": "Tb1 Mn2 Ge2\n1.0\n3.719580 -0.000000 -1.285684\n-0.444400 3.692938 -1.285684\n0.023707 0.026730 6.091938\nTb Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.250000 0.750000 0.500001 Mn\n0.750000 0.250000 0.500001 Mn\n0.620083 0.620083 0.240168 Ge\n0.379918 0.379917 0.759835 Ge\n",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-117407",
"created_at": "2022-09-04T14:38:26.496975Z",
"updated_at": "2022-09-04T14:38:26.496999Z",
"structure_string": "Tb4 Mn4 O12\n1.0\n5.287070 -0.000000 0.000000\n0.000000 5.647264 0.000000\n-0.000000 -0.000000 7.587292\nTb Mn O\n4 4 12\ndirect\n0.518449 0.572173 0.250000 Tb\n0.981551 0.072173 0.250000 Tb\n0.481551 0.427827 0.750000 Tb\n0.018449 0.927826 0.750000 Tb\n-0.000000 0.500000 -0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.303098 0.693500 0.553326 O\n0.196902 0.193500 0.946673 O\n0.303098 0.693500 0.946673 O\n0.196902 0.193500 0.553326 O\n0.696902 0.306499 0.446674 O\n0.104784 0.467521 0.250000 O\n0.895216 0.532479 0.750000 O\n0.604784 0.032479 0.750000 O\n0.803098 0.806499 0.446674 O\n0.395216 0.967520 0.250000 O\n0.803098 0.806499 0.053326 O\n0.696902 0.306499 0.053326 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Mn-O-Tb",
"density": 7.677873422741788,
"density_atomic": 0.08828563521350397,
"volume": 226.53741972443606,
"volume_molar": 6.821201144938771,
"formula_full": "Tb4 Mn4 O12",
"formula_reduced": "TbMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.171231228275862,
"spacegroup": 62
},
{
"id": "jvasp-98484",
"created_at": "2022-09-04T14:36:01.755751Z",
"updated_at": "2022-09-04T14:36:01.755775Z",
"structure_string": "Tb4 Mn4 O12\n1.0\n5.286690 -0.000000 0.000000\n-0.000000 5.647393 0.000000\n0.000000 0.000000 7.587418\nTb Mn O\n4 4 12\ndirect\n0.981541 0.072210 0.250001 Tb\n0.518458 0.572210 0.250001 Tb\n0.018457 0.927789 0.750001 Tb\n0.481541 0.427789 0.750001 Tb\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.395210 0.967506 0.250001 O\n0.895211 0.532494 0.750001 O\n0.696910 0.306513 0.446672 O\n0.696910 0.306513 0.053328 O\n0.196910 0.193487 0.946672 O\n0.803091 0.806513 0.446672 O\n0.303090 0.693486 0.553328 O\n0.303090 0.693486 0.946672 O\n0.803091 0.806513 0.053328 O\n0.196910 0.193487 0.553328 O\n0.104790 0.467506 0.250001 O\n0.604790 0.032494 0.750001 O\n",
"nsites": 20,
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"elements": [
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"Mn",
"O"
],
"chemical_system": "Mn-O-Tb",
"density": 7.678122395671563,
"density_atomic": 0.08828849808086917,
"volume": 226.53007395913227,
"volume_molar": 6.820979958775526,
"formula_full": "Tb4 Mn4 O12",
"formula_reduced": "TbMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.171231228275862,
"spacegroup": 62
},
{
"id": "jvasp-46291",
"created_at": "2022-09-04T14:38:05.787407Z",
"updated_at": "2022-09-04T14:38:05.787432Z",
"structure_string": "Tb4 Mn4 O14\n1.0\n-0.000000 4.992667 4.992667\n4.992667 0.000000 4.992667\n4.992667 4.992667 0.000000\nTb Mn O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.922358 0.327643 0.922358 O\n0.625000 0.625000 0.625000 O\n0.327643 0.327643 0.922358 O\n0.922358 0.922358 0.327643 O\n0.327643 0.922358 0.327643 O\n0.077643 0.672357 0.077643 O\n0.077643 0.077643 0.672357 O\n0.375000 0.375000 0.375000 O\n0.672357 0.672357 0.077643 O\n0.077643 0.672357 0.672357 O\n0.922358 0.327643 0.327643 O\n0.672357 0.077643 0.077643 O\n0.672357 0.077643 0.672357 O\n0.327643 0.922358 0.922358 O\n",
"nsites": 22,
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"elements": [
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"Mn",
"O"
],
"chemical_system": "Mn-O-Tb",
"density": 7.2014822013386715,
"density_atomic": 0.08838832086552398,
"volume": 248.9016623980368,
"volume_molar": 6.813276574358985,
"formula_full": "Tb4 Mn4 O14",
"formula_reduced": "Tb2Mn2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.84656961661442,
"spacegroup": 227
},
{
"id": "jvasp-17843",
"created_at": "2022-09-04T14:37:26.951025Z",
"updated_at": "2022-09-04T14:37:26.951035Z",
"structure_string": "Tb2 Mn2 Si2\n1.0\n3.956624 -0.000000 0.000000\n0.000000 3.956624 0.000000\n0.000000 -0.000000 7.026727\nTb Mn Si\n2 2 2\ndirect\n0.000000 0.499999 0.669325 Tb\n0.499999 0.000000 0.330676 Tb\n0.000000 0.000000 0.000000 Mn\n0.499999 0.499999 0.000000 Mn\n0.499999 0.000000 0.798208 Si\n0.000000 0.499999 0.201793 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Mn",
"Si"
],
"chemical_system": "Mn-Si-Tb",
"density": 7.304661464732375,
"density_atomic": 0.054544203923685655,
"volume": 110.00252214506183,
"volume_molar": 11.040844538542993,
"formula_full": "Tb2 Mn2 Si2",
"formula_reduced": "TbMnSi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.432344747126437,
"spacegroup": 129
},
{
"id": "jvasp-14014",
"created_at": "2022-09-04T14:35:40.820748Z",
"updated_at": "2022-09-04T14:35:40.820769Z",
"structure_string": "Tb4 Mn4 Si4\n1.0\n4.157436 -0.000000 0.000000\n-0.000000 7.038494 0.000000\n0.000000 0.000000 7.411178\nTb Mn Si\n4 4 4\ndirect\n0.250000 0.501487 0.186388 Tb\n0.750001 0.498513 0.813613 Tb\n0.250000 0.001487 0.313612 Tb\n0.750001 0.998512 0.686388 Tb\n0.750001 0.860885 0.060272 Mn\n0.250000 0.139114 0.939728 Mn\n0.750001 0.360886 0.439728 Mn\n0.250000 0.639114 0.560272 Mn\n0.250000 0.792634 0.891915 Si\n0.750001 0.207365 0.108085 Si\n0.250000 0.292635 0.608086 Si\n0.750001 0.707365 0.391915 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Tb",
"density": 7.4103747375199704,
"density_atomic": 0.055333569226404464,
"volume": 216.86654534972155,
"volume_molar": 10.88334051859122,
"formula_full": "Tb4 Mn4 Si4",
"formula_reduced": "TbMnSi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.451241413793104,
"spacegroup": 62
},
{
"id": "jvasp-15619",
"created_at": "2022-09-04T14:37:01.115942Z",
"updated_at": "2022-09-04T14:37:01.115964Z",
"structure_string": "Tb1 Mn2 Si2\n1.0\n3.685066 -0.000000 -1.296805\n-0.456356 3.656700 -1.296805\n-0.006834 -0.007739 5.864818\nTb Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.250000 0.750000 0.500001 Mn\n0.750001 0.250000 0.500001 Mn\n0.621155 0.621155 0.242310 Si\n0.378846 0.378845 0.757692 Si\n",
"nsites": 5,
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"elements": [
"Tb",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Tb",
"density": 6.834601056728161,
"density_atomic": 0.0633268002915653,
"volume": 78.95551294206105,
"volume_molar": 9.509624254301867,
"formula_full": "Tb1 Mn2 Si2",
"formula_reduced": "Tb(MnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.3313880165517245,
"spacegroup": 139
},
{
"id": "jvasp-12340",
"created_at": "2022-09-04T14:38:15.818844Z",
"updated_at": "2022-09-04T14:38:15.818873Z",
"structure_string": "Tb1 Mn6 Sn6\n1.0\n2.730517 -4.729394 0.000000\n2.730517 4.729394 -0.000000\n0.000000 0.000000 8.968297\nTb Mn Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000001 0.500000 0.751559 Mn\n0.500000 0.000001 0.751559 Mn\n0.500001 0.500001 0.751559 Mn\n0.000001 0.500000 0.248442 Mn\n0.500000 0.000001 0.248442 Mn\n0.500001 0.500001 0.248442 Mn\n0.333334 0.666667 0.000000 Sn\n0.666667 0.333334 0.000000 Sn\n0.333334 0.666667 0.500000 Sn\n0.666667 0.333334 0.500000 Sn\n0.000000 0.000000 0.666983 Sn\n0.000000 0.000000 0.333017 Sn\n",
"nsites": 13,
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"elements": [
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"Mn",
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],
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"density": 8.608635981232249,
"density_atomic": 0.05612456572823187,
"volume": 231.62762742698104,
"volume_molar": 10.729955202077818,
"formula_full": "Tb1 Mn6 Sn6",
"formula_reduced": "Tb(MnSn)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.7694616960212204,
"spacegroup": 191
},
{
"id": "jvasp-111673",
"created_at": "2022-09-04T14:38:40.878886Z",
"updated_at": "2022-09-04T14:38:40.878907Z",
"structure_string": "Tb4 Mo4 C8\n1.0\n3.409430 -0.000000 0.000000\n-0.000000 5.727858 0.000000\n0.000000 0.000000 10.813026\nTb Mo C\n4 4 8\ndirect\n0.250000 0.087690 0.862550 Tb\n0.250000 0.587690 0.637450 Tb\n0.750000 0.912311 0.137450 Tb\n0.750000 0.412311 0.362550 Tb\n0.250000 0.402053 0.110036 Mo\n0.250000 0.902053 0.389965 Mo\n0.750000 0.597947 0.889965 Mo\n0.750000 0.097947 0.610036 Mo\n0.250000 0.158027 0.247417 C\n0.250000 0.658027 0.252583 C\n0.750000 0.841974 0.752583 C\n0.750000 0.341974 0.747418 C\n0.250000 0.720865 0.982575 C\n0.250000 0.220865 0.517426 C\n0.750000 0.279136 0.017426 C\n0.750000 0.779136 0.482574 C\n",
"nsites": 16,
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"elements": [
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],
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"density_atomic": 0.07577024898506912,
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"formula_full": "Tb4 Mo4 C8",
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"spacegroup": 62
},
{
"id": "jvasp-59586",
"created_at": "2022-09-04T14:37:57.856340Z",
"updated_at": "2022-09-04T14:37:57.856367Z",
"structure_string": "Tb4 Mo4 O14\n1.0\n6.326584 -0.000000 3.652655\n2.108862 5.964760 3.652655\n-0.000000 0.000000 7.305310\nTb Mo O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Tb\n-0.000000 0.500000 0.500000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 -0.000000 Tb\n0.000000 0.000000 0.000000 Mo\n0.000000 0.000000 0.500000 Mo\n0.500000 0.000000 -0.000000 Mo\n-0.000000 0.500000 -0.000000 Mo\n0.086664 0.663336 0.086664 O\n0.663336 0.086664 0.663336 O\n0.663336 0.086664 0.086664 O\n0.624999 0.625000 0.625000 O\n0.913335 0.336664 0.336664 O\n0.336664 0.913336 0.336663 O\n0.336664 0.336664 0.913336 O\n0.913335 0.913336 0.336663 O\n0.913335 0.336664 0.913336 O\n0.086664 0.663336 0.663336 O\n0.336664 0.913336 0.913335 O\n0.375000 0.375000 0.375000 O\n0.663335 0.663336 0.086663 O\n0.086664 0.086664 0.663336 O\n",
"nsites": 22,
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"elements": [
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],
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"density_atomic": 0.07980347048286722,
"volume": 275.677233920837,
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"formula_full": "Tb4 Mo4 O14",
"formula_reduced": "Tb2Mo2O7",
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"spacegroup": 227
},
{
"id": "jvasp-107795",
"created_at": "2022-09-04T14:36:38.332248Z",
"updated_at": "2022-09-04T14:36:38.332269Z",
"structure_string": "Na3 Tb1 Cl6\n1.0\n6.434189 -0.000000 3.714781\n2.144730 6.066212 3.714781\n-0.000000 -0.000000 7.429562\nTb Na Cl\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.751053 0.248947 0.248946 Cl\n0.248947 0.248947 0.751053 Cl\n0.248947 0.751053 0.751053 Cl\n0.248947 0.751053 0.248947 Cl\n0.751053 0.248947 0.751053 Cl\n0.751054 0.751053 0.248946 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.03448461574171486,
"volume": 289.9843824532846,
"volume_molar": 17.46326769335354,
"formula_full": "Na3 Tb1 Cl6",
"formula_reduced": "Na3TbCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}