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"results": [
{
"id": "jvasp-112533",
"created_at": "2022-09-04T14:38:41.176564Z",
"updated_at": "2022-09-04T14:38:41.176598Z",
"structure_string": "Yb2 Co1 Te2 S2 O14\n1.0\n5.016057 0.098694 -1.732817\n-1.440607 6.845123 -2.886135\n-0.142580 0.023297 7.925200\nYb Co Te S O\n2 1 2 2 14\ndirect\n0.136908 0.245775 0.512530 Yb\n0.863092 0.754225 0.487469 Yb\n0.500000 0.500000 -0.000001 Co\n0.107327 0.769510 0.142731 Te\n0.892673 0.230489 0.857268 Te\n0.565781 0.249577 0.248446 S\n0.434219 0.750423 0.751553 S\n0.552826 0.324143 0.779782 O\n0.447173 0.675857 0.220216 O\n0.119331 0.447276 0.852375 O\n0.880669 0.552723 0.147624 O\n0.568599 0.706327 0.934231 O\n0.431401 0.293673 0.065768 O\n0.724481 0.427967 0.425183 O\n0.750593 0.115504 0.205387 O\n0.149505 0.913295 0.402470 O\n0.275519 0.572032 0.574816 O\n0.668394 0.837702 0.730331 O\n0.331606 0.162298 0.269668 O\n0.249407 0.884496 0.794612 O\n0.850495 0.086705 0.597529 O\n",
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"formula_reduced": "Yb2CoTe2(SO7)2",
"formula_anonymous": "AB2C2D2E14",
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{
"id": "jvasp-39034",
"created_at": "2022-09-04T14:38:04.305961Z",
"updated_at": "2022-09-04T14:38:04.305969Z",
"structure_string": "Yb2 Co2 O5\n1.0\n3.691140 0.000000 0.000000\n0.000000 3.691140 -0.000000\n0.000000 -0.000000 7.005547\nYb Co O\n2 2 5\ndirect\n0.000000 0.000000 0.999986 Yb\n0.000000 0.000000 0.499844 Yb\n0.500000 0.500000 0.231661 Co\n0.500000 0.500000 0.768331 Co\n0.500000 0.000000 0.211972 O\n0.500000 0.000000 0.788111 O\n0.000000 0.500000 0.211972 O\n0.000000 0.500000 0.788111 O\n0.500000 0.500000 0.500007 O\n",
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"density": 9.463236949902827,
"density_atomic": 0.09429299339315045,
"volume": 95.44717667912927,
"volume_molar": 6.386625923403398,
"formula_full": "Yb2 Co2 O5",
"formula_reduced": "Yb2Co2O5",
"formula_anonymous": "A2B2C5",
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"spacegroup": 123
},
{
"id": "jvasp-56848",
"created_at": "2022-09-04T14:37:49.235806Z",
"updated_at": "2022-09-04T14:37:49.235826Z",
"structure_string": "Yb2 Co12 P7\n1.0\n4.511471 -7.814098 0.000000\n4.511471 7.814098 -0.000000\n-0.000000 0.000000 3.551541\nYb Co P\n2 12 7\ndirect\n0.666667 0.333333 0.500000 Yb\n0.333333 0.666667 0.000000 Yb\n0.865139 0.758335 0.500000 Co\n0.622833 0.563371 0.000000 Co\n0.563205 0.945738 0.500000 Co\n0.436628 0.059461 0.000000 Co\n0.119561 0.847350 0.000000 Co\n0.054262 0.617468 0.500000 Co\n0.152650 0.272211 0.000000 Co\n0.893195 0.134860 0.500000 Co\n0.241665 0.106804 0.500000 Co\n0.940539 0.377167 0.000000 Co\n0.727789 0.880439 0.000000 Co\n0.382532 0.436795 0.500000 Co\n0.111174 0.403007 0.500000 P\n0.405647 0.291965 0.000000 P\n0.291833 0.888826 0.500000 P\n0.708035 0.113682 0.000000 P\n0.596993 0.708166 0.500000 P\n0.886318 0.594353 0.000000 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 21,
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"elements": [
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"Co",
"P"
],
"chemical_system": "Co-P-Yb",
"density": 8.422506219787342,
"density_atomic": 0.08386397489344374,
"volume": 250.40549326075077,
"volume_molar": 7.1808434642546315,
"formula_full": "Yb2 Co12 P7",
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"formula_anonymous": "A2B7C12",
"energy_above_hull": 3.506883842857143,
"spacegroup": 174
},
{
"id": "jvasp-16899",
"created_at": "2022-09-04T14:37:44.550425Z",
"updated_at": "2022-09-04T14:37:44.550456Z",
"structure_string": "Yb2 C1 N2 O2\n1.0\n1.851564 -3.207003 0.000000\n1.851564 3.207003 -0.000000\n0.000000 0.000000 8.311644\nYb C N O\n2 1 2 2\ndirect\n0.666666 0.333332 0.173883 Yb\n0.333332 0.666666 0.826117 Yb\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.351694 N\n0.000000 0.000000 0.648306 N\n0.333332 0.666666 0.099369 O\n0.666666 0.333332 0.900630 O\n",
"nsites": 7,
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"elements": [
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"C",
"N",
"O"
],
"chemical_system": "C-N-O-Yb",
"density": 7.033593317781203,
"density_atomic": 0.07091580162691556,
"volume": 98.70860710038427,
"volume_molar": 8.49195894545785,
"formula_full": "Yb2 C1 N2 O2",
"formula_reduced": "Yb2C(NO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 2.975319271428571,
"spacegroup": 164
},
{
"id": "jvasp-97893",
"created_at": "2022-09-04T14:35:50.592006Z",
"updated_at": "2022-09-04T14:35:50.592031Z",
"structure_string": "Yb4 C6 N12\n1.0\n6.147548 0.167306 9.253861\n2.917609 5.413677 9.253861\n0.271754 0.167306 11.106414\nYb C N\n4 6 12\ndirect\n0.165249 0.165249 0.165249 Yb\n0.665248 0.665250 0.665248 Yb\n0.834750 0.834753 0.834750 Yb\n0.334751 0.334752 0.334751 Yb\n0.057844 0.750001 0.442155 C\n0.750000 0.442156 0.057844 C\n0.557845 0.942156 0.249999 C\n0.942154 0.250001 0.557844 C\n0.249999 0.557846 0.942154 C\n0.442154 0.057846 0.749999 C\n0.335036 0.570010 0.959126 N\n0.929991 0.164965 0.540872 N\n0.164962 0.540874 0.929991 N\n0.959126 0.335038 0.570007 N\n0.570008 0.959128 0.335036 N\n0.835037 0.459128 0.070007 N\n0.540873 0.929993 0.164962 N\n0.040872 0.664964 0.429991 N\n0.664963 0.429993 0.040872 N\n0.459126 0.070009 0.835036 N\n0.429991 0.040874 0.664963 N\n0.070008 0.835038 0.459127 N\n",
"nsites": 22,
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"elements": [
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"C",
"N"
],
"chemical_system": "C-N-Yb",
"density": 4.474161753018279,
"density_atomic": 0.06358101216253847,
"volume": 346.01525285189246,
"volume_molar": 9.47160253536858,
"formula_full": "Yb4 C6 N12",
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"formula_anonymous": "A2B3C6",
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"spacegroup": 167
},
{
"id": "jvasp-39842",
"created_at": "2022-09-04T14:37:53.009745Z",
"updated_at": "2022-09-04T14:37:53.009768Z",
"structure_string": "Yb2 Cd1 Sn1\n1.0\n-0.000000 3.754417 3.754417\n3.754417 -0.000000 3.754417\n3.754417 3.754417 0.000000\nYb Cd Sn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500001 0.500001 0.500001 Yb\n0.250000 0.250000 0.250000 Cd\n0.750001 0.750001 0.750001 Sn\n",
"nsites": 4,
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"elements": [
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"Sn"
],
"chemical_system": "Cd-Sn-Yb",
"density": 9.05562966627576,
"density_atomic": 0.037792225959130586,
"volume": 105.84187351985287,
"volume_molar": 15.934866515966764,
"formula_full": "Yb2 Cd1 Sn1",
"formula_reduced": "Yb2CdSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-58392",
"created_at": "2022-09-04T14:37:34.393679Z",
"updated_at": "2022-09-04T14:37:34.393705Z",
"structure_string": "Yb4 Cd2 Se8\n1.0\n7.204595 0.000000 4.159575\n2.401531 6.792558 4.159575\n0.000000 0.000000 8.319150\nYb Cd Se\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n-0.000000 0.500000 0.500000 Yb\n0.500000 -0.000000 0.500000 Yb\n0.874999 0.875000 0.874999 Cd\n0.125000 0.125000 0.125000 Cd\n0.745108 0.745109 0.745108 Se\n0.254891 0.254892 0.735326 Se\n0.254891 0.735327 0.254891 Se\n0.735326 0.254892 0.254891 Se\n0.745108 0.264673 0.745108 Se\n0.264673 0.745109 0.745108 Se\n0.254891 0.254892 0.254891 Se\n0.745108 0.745109 0.264673 Se\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Cd-Se-Yb",
"density": 6.316606992447194,
"density_atomic": 0.03438793941232371,
"volume": 407.1194796563698,
"volume_molar": 17.51236294734725,
"formula_full": "Yb4 Cd2 Se8",
"formula_reduced": "Yb2CdSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.1858878023809522,
"spacegroup": 227
},
{
"id": "jvasp-86209",
"created_at": "2022-09-04T14:37:51.422923Z",
"updated_at": "2022-09-04T14:37:51.422959Z",
"structure_string": "Yb4 Cd2 Sb4\n1.0\n4.476371 0.000000 -1.186914\n-0.000000 7.146907 -0.000000\n-0.011433 -0.000000 8.991512\nYb Cd Sb\n4 2 4\ndirect\n0.479573 0.718578 0.959146 Yb\n0.520428 0.218578 0.040854 Yb\n0.697414 0.533759 0.394830 Yb\n0.302586 0.033759 0.605170 Yb\n0.901956 0.396168 0.803912 Cd\n0.098044 0.896168 0.196089 Cd\n0.319940 0.514639 0.639879 Sb\n0.680060 0.014638 0.360121 Sb\n0.069381 0.494367 0.138761 Sb\n0.930620 0.994367 0.861239 Sb\n",
"nsites": 10,
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"elements": [
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"Sb"
],
"chemical_system": "Cd-Sb-Yb",
"density": 8.107603921052412,
"density_atomic": 0.03477519017207599,
"volume": 287.56133181494044,
"volume_molar": 17.317348173226378,
"formula_full": "Yb4 Cd2 Sb4",
"formula_reduced": "Yb2CdSb2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.000000000004e-06,
"spacegroup": 36
},
{
"id": "jvasp-86811",
"created_at": "2022-09-04T14:35:55.637585Z",
"updated_at": "2022-09-04T14:35:55.637617Z",
"structure_string": "Yb4 Cd2 Sb4\n1.0\n4.476422 -0.000000 -1.186928\n0.000000 7.146663 0.000000\n-0.011350 0.000000 8.991926\nYb Cd Sb\n4 2 4\ndirect\n0.479539 0.718562 0.959080 Yb\n0.520460 0.218563 0.040921 Yb\n0.697429 0.533748 0.394858 Yb\n0.302571 0.033748 0.605142 Yb\n0.901971 0.396199 0.803944 Cd\n0.098029 0.896199 0.196057 Cd\n0.319931 0.514608 0.639863 Sb\n0.680068 0.014608 0.360137 Sb\n0.069373 0.494392 0.138747 Sb\n0.930626 0.994392 0.861253 Sb\n",
"nsites": 10,
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],
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"density": 8.107395088701784,
"density_atomic": 0.03477429444692983,
"volume": 287.5687388930729,
"volume_molar": 17.317794237897715,
"formula_full": "Yb4 Cd2 Sb4",
"formula_reduced": "Yb2CdSb2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 36
},
{
"id": "jvasp-57706",
"created_at": "2022-09-04T14:38:05.079248Z",
"updated_at": "2022-09-04T14:38:05.079276Z",
"structure_string": "Yb4 Cd2 S8\n1.0\n6.898718 0.000000 3.982976\n2.299572 6.504174 3.982976\n-0.000000 0.000000 7.965953\nYb Cd S\n4 2 8\ndirect\n0.500000 0.500000 0.000001 Yb\n0.500000 0.500000 0.500000 Yb\n-0.000000 0.500000 0.500000 Yb\n0.500000 -0.000000 0.500000 Yb\n0.125000 0.125000 0.125000 Cd\n0.875000 0.875000 0.875001 Cd\n0.745006 0.745005 0.745006 S\n0.254994 0.254994 0.735018 S\n0.254994 0.735018 0.254995 S\n0.735018 0.254994 0.254995 S\n0.745006 0.264982 0.745006 S\n0.264982 0.745005 0.745006 S\n0.254994 0.254994 0.254995 S\n0.745006 0.745005 0.264983 S\n",
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"elements": [
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"density": 5.451733882191321,
"density_atomic": 0.03916785175512984,
"volume": 357.4359933632666,
"volume_molar": 15.375213319457268,
"formula_full": "Yb4 Cd2 S8",
"formula_reduced": "Yb2CdS4",
"formula_anonymous": "AB2C4",
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"spacegroup": 227
},
{
"id": "jvasp-14060",
"created_at": "2022-09-04T14:36:54.279300Z",
"updated_at": "2022-09-04T14:36:54.279317Z",
"structure_string": "Yb4 Cd2 Pd4\n1.0\n7.503841 0.000000 0.000000\n0.000000 7.503841 -0.000000\n0.000000 -0.000000 3.803043\nYb Cd Pd\n4 2 4\ndirect\n0.334710 0.834710 0.500000 Yb\n0.834710 0.665290 0.500000 Yb\n0.165290 0.334710 0.500000 Yb\n0.665290 0.165290 0.500000 Yb\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.365535 0.134465 0.000000 Pd\n0.865535 0.365535 0.000000 Pd\n0.134465 0.634465 0.000000 Pd\n0.634465 0.865535 0.000000 Pd\n",
"nsites": 10,
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],
"chemical_system": "Cd-Pd-Yb",
"density": 10.411596122440073,
"density_atomic": 0.04669834806322971,
"volume": 214.14033717980706,
"volume_molar": 12.895832528906597,
"formula_full": "Yb4 Cd2 Pd4",
"formula_reduced": "Yb2CdPd2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-39651",
"created_at": "2022-09-04T14:37:41.719519Z",
"updated_at": "2022-09-04T14:37:41.719529Z",
"structure_string": "Yb2 Cd1 Pb1\n1.0\n0.000000 3.787645 3.787645\n3.787645 0.000000 3.787645\n3.787645 3.787645 0.000000\nYb Cd Pb\n2 1 1\ndirect\n0.500002 0.500002 0.500002 Yb\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Pb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-Pb-Yb",
"density": 10.171476130738647,
"density_atomic": 0.03680630263437925,
"volume": 108.6770393574867,
"volume_molar": 16.36171070977112,
"formula_full": "Yb2 Cd1 Pb1",
"formula_reduced": "Yb2CdPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}