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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=1277",
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"results": [
{
"id": "jvasp-62894",
"created_at": "2022-09-04T14:35:48.804758Z",
"updated_at": "2022-09-04T14:35:48.804768Z",
"structure_string": "Er4 Mn4 B16\n1.0\n3.399588 0.000000 0.000000\n0.000000 5.872711 -0.000000\n0.000000 0.000000 11.350585\nEr Mn B\n4 4 16\ndirect\n0.000000 0.126130 0.849601 Er\n0.000000 0.873870 0.150399 Er\n0.000000 0.373870 0.349601 Er\n0.000000 0.626130 0.650399 Er\n0.000000 0.127781 0.583834 Mn\n0.000000 0.872219 0.416166 Mn\n0.000000 0.372219 0.083834 Mn\n0.000000 0.627781 0.916165 Mn\n0.500000 0.524850 0.191428 B\n0.500000 0.475150 0.808572 B\n0.500000 0.887467 0.546621 B\n0.500000 0.112533 0.453379 B\n0.500000 0.612533 0.046621 B\n0.500000 0.387467 0.953378 B\n0.500000 0.862414 0.967996 B\n0.500000 0.782057 0.816043 B\n0.500000 0.637585 0.467997 B\n0.500000 0.362415 0.532003 B\n0.500000 0.024850 0.308572 B\n0.500000 0.217942 0.183956 B\n0.500000 0.717942 0.316043 B\n0.500000 0.282058 0.683956 B\n0.500000 0.137585 0.032003 B\n0.500000 0.975150 0.691427 B\n",
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],
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"formula_full": "Er4 Mn4 B16",
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"formula_anonymous": "ABC4",
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"spacegroup": 55
},
{
"id": "jvasp-105517",
"created_at": "2022-09-04T14:38:46.519679Z",
"updated_at": "2022-09-04T14:38:46.519731Z",
"structure_string": "Er1 Mn1 Fe1 O4\n1.0\n3.449801 0.067563 7.779129\n1.701770 3.001611 7.779129\n0.113404 0.067563 8.509002\nEr Mn Fe O\n1 1 1 4\ndirect\n-0.004864 -0.004864 -0.004864 Er\n0.210018 0.210018 0.210019 Mn\n0.785081 0.785079 0.785083 Fe\n0.706892 0.706890 0.706894 O\n0.288015 0.288014 0.288016 O\n0.877579 0.877576 0.877581 O\n0.132079 0.132079 0.132079 O\n",
"nsites": 7,
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"elements": [
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"Mn",
"Fe",
"O"
],
"chemical_system": "Er-Fe-Mn-O",
"density": 6.79187561976344,
"density_atomic": 0.08370708522555531,
"volume": 83.62494024416154,
"volume_molar": 7.194302302813279,
"formula_full": "Er1 Mn1 Fe1 O4",
"formula_reduced": "ErMnFeO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 160
},
{
"id": "jvasp-15395",
"created_at": "2022-09-04T14:36:07.056893Z",
"updated_at": "2022-09-04T14:36:07.056922Z",
"structure_string": "Er1 Mn2 Ge2\n1.0\n3.695790 -0.000000 -1.269826\n-0.436296 3.669946 -1.269826\n0.016809 0.018926 6.062079\nEr Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.249999 0.750001 0.500000 Mn\n0.750000 0.250001 0.500000 Mn\n0.618637 0.618638 0.237274 Ge\n0.381363 0.381364 0.762725 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Er",
"Mn",
"Ge"
],
"chemical_system": "Er-Ge-Mn",
"density": 8.512609300484984,
"density_atomic": 0.0606798060411638,
"volume": 82.39973602763519,
"volume_molar": 9.924456178905247,
"formula_full": "Er1 Mn2 Ge2",
"formula_reduced": "Er(MnGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.349699276551724,
"spacegroup": 139
},
{
"id": "jvasp-86415",
"created_at": "2022-09-04T14:35:54.948392Z",
"updated_at": "2022-09-04T14:35:54.948418Z",
"structure_string": "Er1 Mn6 Ge6\n1.0\n5.171921 -0.000000 -0.000000\n-2.585960 4.479014 0.000000\n-0.000000 0.000000 8.114667\nEr Mn Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.000000 0.250576 Mn\n0.500000 0.500000 0.250576 Mn\n-0.000000 0.500000 0.250576 Mn\n0.500000 0.000000 0.749424 Mn\n0.500000 0.500000 0.749424 Mn\n-0.000000 0.500000 0.749424 Mn\n0.000000 0.000000 0.657184 Ge\n0.333333 0.666666 0.000000 Ge\n0.666667 0.333333 0.000000 Ge\n0.333333 0.666666 0.500000 Ge\n0.666667 0.333333 0.500000 Ge\n0.000000 0.000000 0.342817 Ge\n",
"nsites": 13,
"nelements": 3,
"elements": [
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"Mn",
"Ge"
],
"chemical_system": "Er-Ge-Mn",
"density": 8.239460326421277,
"density_atomic": 0.0691573506327089,
"volume": 187.9771258017434,
"volume_molar": 8.707882394140974,
"formula_full": "Er1 Mn6 Ge6",
"formula_reduced": "Er(MnGe)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.9666876267904505,
"spacegroup": 191
},
{
"id": "jvasp-93861",
"created_at": "2022-09-04T14:36:33.404844Z",
"updated_at": "2022-09-04T14:36:33.404871Z",
"structure_string": "Er1 Mn1 Ni4\n1.0\n-3.442892 -3.442892 0.000000\n-3.442892 -0.000000 -3.442892\n0.000000 -3.442892 -3.442892\nEr Mn Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.750000 0.750000 0.750000 Mn\n0.872587 0.375804 0.375804 Ni\n0.375804 0.872587 0.375804 Ni\n0.375804 0.375804 0.872587 Ni\n0.375804 0.375804 0.375804 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
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],
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"density": 9.29687958246116,
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"volume": 81.6206773016004,
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"formula_full": "Er1 Mn1 Ni4",
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"formula_anonymous": "ABC4",
"energy_above_hull": 1.7521461402298857,
"spacegroup": 216
},
{
"id": "jvasp-91269",
"created_at": "2022-09-04T14:36:15.075311Z",
"updated_at": "2022-09-04T14:36:15.075341Z",
"structure_string": "Er4 Mn4 O12\n1.0\n5.229926 0.000000 0.000000\n-0.000000 5.644356 0.000000\n0.000000 0.000000 7.520106\nEr Mn O\n4 4 12\ndirect\n0.979401 0.077183 0.250000 Er\n0.520600 0.577183 0.250000 Er\n0.020599 0.922818 0.750000 Er\n0.479401 0.422818 0.750000 Er\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\n0.884646 0.539036 0.750000 O\n0.384645 0.960965 0.250000 O\n0.693945 0.311329 0.442452 O\n0.693945 0.311329 0.057549 O\n0.193945 0.188672 0.942452 O\n0.806056 0.811329 0.442452 O\n0.306055 0.688672 0.557549 O\n0.306055 0.688672 0.942452 O\n0.806056 0.811329 0.057549 O\n0.193945 0.188672 0.557549 O\n0.115355 0.460965 0.250000 O\n0.615355 0.039036 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Er",
"Mn",
"O"
],
"chemical_system": "Er-Mn-O",
"density": 8.084494813854766,
"density_atomic": 0.09009404617640149,
"volume": 221.99025184017808,
"volume_molar": 6.6842827196470065,
"formula_full": "Er4 Mn4 O12",
"formula_reduced": "ErMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1555935482758617,
"spacegroup": 62
},
{
"id": "jvasp-23205",
"created_at": "2022-09-04T14:37:31.800372Z",
"updated_at": "2022-09-04T14:37:31.800403Z",
"structure_string": "Er6 Mn6 O18\n1.0\n2.908666 -5.037958 0.000000\n2.908666 5.037958 -0.000000\n-0.000000 0.000000 11.882419\nEr Mn O\n6 6 18\ndirect\n0.666668 0.333334 0.772422 Er\n0.333334 0.666668 0.272422 Er\n0.666668 0.333334 0.272422 Er\n0.333334 0.666668 0.772422 Er\n0.000000 0.000000 0.220830 Er\n0.000000 0.000000 0.720830 Er\n0.000000 0.663860 0.002197 Mn\n0.663860 0.663860 0.502197 Mn\n0.336141 0.000000 0.502197 Mn\n0.336141 0.336141 0.002197 Mn\n0.000000 0.336141 0.502197 Mn\n0.663860 0.000000 0.002197 Mn\n0.633344 0.000000 0.162566 O\n0.700960 0.000000 0.840874 O\n0.299041 0.000000 0.340874 O\n0.700961 0.700961 0.340874 O\n0.000000 0.700960 0.840874 O\n0.000000 0.366657 0.662566 O\n0.366657 0.366657 0.162566 O\n0.366657 0.000000 0.662566 O\n0.666668 0.333334 0.486737 O\n0.000000 0.633344 0.162566 O\n0.000000 0.000000 0.521942 O\n0.000000 0.000000 0.021942 O\n0.333334 0.666668 0.986737 O\n0.299041 0.299041 0.840874 O\n0.333334 0.666668 0.486737 O\n0.666668 0.333334 0.986737 O\n0.633344 0.633344 0.662566 O\n0.000000 0.299041 0.340874 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Er",
"Mn",
"O"
],
"chemical_system": "Er-Mn-O",
"density": 7.73027234127435,
"density_atomic": 0.08614657183988667,
"volume": 348.2436893224081,
"volume_molar": 6.990575052937503,
"formula_full": "Er6 Mn6 O18",
"formula_reduced": "ErMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2156955482758613,
"spacegroup": 185
},
{
"id": "jvasp-59605",
"created_at": "2022-09-04T14:36:41.415071Z",
"updated_at": "2022-09-04T14:36:41.415100Z",
"structure_string": "Er4 Mn4 Si4\n1.0\n4.091643 -0.000000 0.000000\n0.000000 6.895521 0.000000\n0.000000 0.000000 7.418129\nEr Mn Si\n4 4 4\ndirect\n0.250000 0.005082 0.812136 Er\n0.749999 0.994918 0.187865 Er\n0.250000 0.505082 0.687865 Er\n0.749999 0.494918 0.312136 Er\n0.749999 0.857178 0.561445 Mn\n0.250000 0.142822 0.438556 Mn\n0.749999 0.357178 0.938556 Mn\n0.250000 0.642822 0.061444 Mn\n0.250000 0.290148 0.108782 Si\n0.749999 0.709852 0.891218 Si\n0.250000 0.790148 0.391218 Si\n0.749999 0.209852 0.608782 Si\n",
"nsites": 12,
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"elements": [
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"Mn",
"Si"
],
"chemical_system": "Er-Mn-Si",
"density": 7.942924791300499,
"density_atomic": 0.0573352941842214,
"volume": 209.29516750090008,
"volume_molar": 10.503374658984981,
"formula_full": "Er4 Mn4 Si4",
"formula_reduced": "ErMnSi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4221952804597704,
"spacegroup": 62
},
{
"id": "jvasp-15435",
"created_at": "2022-09-04T14:35:58.546174Z",
"updated_at": "2022-09-04T14:35:58.546201Z",
"structure_string": "Er1 Mn2 Si2\n1.0\n3.659225 0.000000 -1.283147\n-0.449949 3.631456 -1.283147\n-0.009648 -0.010917 5.831671\nEr Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.249999 0.750000 0.499999 Mn\n0.749999 0.250000 0.499999 Mn\n0.619635 0.619636 0.239272 Si\n0.380363 0.380364 0.760727 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Mn",
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],
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"density": 7.151618769686506,
"density_atomic": 0.06460736272144557,
"volume": 77.39056029198225,
"volume_molar": 9.321136951471678,
"formula_full": "Er1 Mn2 Si2",
"formula_reduced": "Er(MnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.317046336551724,
"spacegroup": 139
},
{
"id": "jvasp-112878",
"created_at": "2022-09-04T14:38:42.877680Z",
"updated_at": "2022-09-04T14:38:42.877709Z",
"structure_string": "Er1 Mo6 S8\n1.0\n6.474389 0.011718 0.066223\n0.065669 6.474067 0.066223\n0.011816 0.011718 6.474716\nEr Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Er\n0.776486 0.579263 0.440033 Mo\n0.440033 0.776487 0.579262 Mo\n0.579263 0.440034 0.776486 Mo\n0.223514 0.420738 0.559967 Mo\n0.559967 0.223514 0.420737 Mo\n0.420738 0.559968 0.223514 Mo\n0.763039 0.763040 0.763038 S\n0.236962 0.236962 0.236961 S\n0.244066 0.633456 0.872987 S\n0.872988 0.244066 0.633456 S\n0.633456 0.872988 0.244065 S\n0.755934 0.366545 0.127012 S\n0.127013 0.755935 0.366544 S\n0.366545 0.127013 0.755934 S\n",
"nsites": 15,
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"elements": [
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"Mo",
"S"
],
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"density": 6.115388049130156,
"density_atomic": 0.05527370549280703,
"volume": 271.37677610472497,
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"formula_full": "Er1 Mo6 S8",
"formula_reduced": "Er(Mo3S4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 4.27720636,
"spacegroup": 148
},
{
"id": "jvasp-57352",
"created_at": "2022-09-04T14:37:43.102508Z",
"updated_at": "2022-09-04T14:37:43.102529Z",
"structure_string": "Er2 Mo2 Cl2 O8\n1.0\n6.045192 0.006688 1.519974\n1.764959 5.781808 1.519974\n0.013349 0.009894 6.813846\nEr Mo Cl O\n2 2 2 8\ndirect\n0.221791 0.221790 0.890903 Er\n0.778209 0.778210 0.109097 Er\n0.637471 0.637470 0.730273 Mo\n0.362529 0.362529 0.269727 Mo\n0.009031 0.009030 0.236977 Cl\n0.990969 0.990969 0.763023 Cl\n0.509221 0.892334 0.845601 O\n0.490779 0.107666 0.154399 O\n0.107666 0.490779 0.154399 O\n0.543706 0.543706 0.199277 O\n0.294987 0.294987 0.537900 O\n0.892334 0.509221 0.845601 O\n0.705013 0.705013 0.462100 O\n0.456294 0.456294 0.800722 O\n",
"nsites": 14,
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"elements": [
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"O"
],
"chemical_system": "Cl-Er-Mo-O",
"density": 5.062653572074915,
"density_atomic": 0.05884911691197665,
"volume": 237.89651798752476,
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"formula_full": "Er2 Mo2 Cl2 O8",
"formula_reduced": "ErMoClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4016891382142864,
"spacegroup": 12
},
{
"id": "jvasp-119714",
"created_at": "2022-09-04T14:38:52.265074Z",
"updated_at": "2022-09-04T14:38:52.265103Z",
"structure_string": "Er2 Mo2 Cl2 O8\n1.0\n6.039721 0.016186 1.521731\n1.752282 5.779965 1.521731\n0.006226 0.004631 6.805161\nEr Mo Cl O\n2 2 2 8\ndirect\n0.778350 0.778350 0.108869 Er\n0.221650 0.221649 0.891130 Er\n0.362579 0.362579 0.269733 Mo\n0.637421 0.637421 0.730267 Mo\n0.990983 0.990983 0.762185 Cl\n0.009017 0.009017 0.237815 Cl\n0.490864 0.107802 0.154176 O\n0.509136 0.892197 0.845823 O\n0.892198 0.509136 0.845823 O\n0.456353 0.456352 0.800219 O\n0.705212 0.705212 0.462170 O\n0.107802 0.490864 0.154177 O\n0.294788 0.294788 0.537830 O\n0.543648 0.543647 0.199781 O\n",
"nsites": 14,
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"elements": [
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"O"
],
"chemical_system": "Cl-Er-Mo-O",
"density": 5.07567742689766,
"density_atomic": 0.059000508340245804,
"volume": 237.2860911513576,
"volume_molar": 10.206930295026185,
"formula_full": "Er2 Mo2 Cl2 O8",
"formula_reduced": "ErMoClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.400416281071429,
"spacegroup": 12
}
]
}