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{
"id": "jvasp-20519",
"created_at": "2022-09-04T14:37:57.653164Z",
"updated_at": "2022-09-04T14:37:57.653180Z",
"structure_string": "Yb4 Cu4\n1.0\n4.238300 0.000000 0.000000\n0.000000 5.537521 0.000000\n0.000000 0.000000 7.189791\nYb Cu\n4 4\ndirect\n0.250000 0.132439 0.180825 Yb\n0.750000 0.867560 0.819175 Yb\n0.750000 0.632439 0.319175 Yb\n0.250000 0.367560 0.680825 Yb\n0.250000 0.621223 0.034450 Cu\n0.750000 0.378777 0.965549 Cu\n0.750000 0.121223 0.465549 Cu\n0.250000 0.878777 0.534450 Cu\n",
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"spacegroup": 62
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{
"id": "jvasp-20250",
"created_at": "2022-09-04T14:37:47.892491Z",
"updated_at": "2022-09-04T14:37:47.892517Z",
"structure_string": "Yb4 Cu4\n1.0\n4.238297 -0.000000 0.000000\n0.000000 5.537440 0.000000\n0.000000 0.000000 7.189615\nYb Cu\n4 4\ndirect\n0.250000 0.132442 0.180825 Yb\n0.750001 0.867558 0.819175 Yb\n0.750001 0.632442 0.319175 Yb\n0.250000 0.367558 0.680825 Yb\n0.250000 0.621225 0.034448 Cu\n0.750001 0.378775 0.965552 Cu\n0.750001 0.121225 0.465552 Cu\n0.250000 0.878775 0.534449 Cu\n",
"nsites": 8,
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{
"id": "jvasp-97686",
"created_at": "2022-09-04T14:36:05.991139Z",
"updated_at": "2022-09-04T14:36:05.991153Z",
"structure_string": "Yb4 Cr4 Sb12\n1.0\n6.066378 0.000000 0.000000\n0.000000 6.186100 0.000000\n0.000000 0.000000 13.058506\nYb Cr Sb\n4 4 12\ndirect\n0.750000 0.995715 0.691039 Yb\n0.750000 0.495715 0.308962 Yb\n0.250000 0.504285 0.691039 Yb\n0.250000 0.004285 0.308962 Yb\n0.500000 0.750000 0.095881 Cr\n0.000000 0.750000 0.095881 Cr\n0.500000 0.250000 0.904119 Cr\n0.000000 0.250000 0.904119 Cr\n0.500000 0.250000 0.502878 Sb\n0.000000 0.250000 0.502878 Sb\n0.500000 0.750000 0.497122 Sb\n0.750000 0.892949 0.935348 Sb\n0.750000 0.392949 0.064652 Sb\n0.250000 0.607051 0.935348 Sb\n0.750000 0.499979 0.781957 Sb\n0.250000 0.500021 0.218043 Sb\n0.750000 -0.000021 0.218043 Sb\n0.250000 0.000021 0.781957 Sb\n0.000000 0.750000 0.497122 Sb\n0.250000 0.107051 0.064652 Sb\n",
"nsites": 20,
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"elements": [
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"Sb"
],
"chemical_system": "Cr-Sb-Yb",
"density": 8.001175929717428,
"density_atomic": 0.040812208671704577,
"volume": 490.049439884055,
"volume_molar": 14.755733531704687,
"formula_full": "Yb4 Cr4 Sb12",
"formula_reduced": "YbCrSb3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.81277328,
"spacegroup": 57
},
{
"id": "jvasp-23827",
"created_at": "2022-09-04T14:37:39.812255Z",
"updated_at": "2022-09-04T14:37:39.812291Z",
"structure_string": "Yb4 Co4 B16\n1.0\n3.317159 0.000000 0.000000\n0.000000 5.888924 0.000000\n0.000000 0.000000 11.399983\nYb Co B\n4 4 16\ndirect\n0.000000 0.373088 0.650713 Yb\n0.000000 0.626912 0.349287 Yb\n0.000000 0.873087 0.849286 Yb\n0.000000 0.126912 0.150713 Yb\n0.000000 0.365267 0.911246 Co\n0.000000 0.634732 0.088754 Co\n0.000000 0.865267 0.588754 Co\n0.000000 0.134733 0.411246 Co\n0.500000 0.639614 0.531407 B\n0.500000 0.360386 0.468593 B\n0.500000 0.218425 0.816853 B\n0.500000 0.781574 0.183147 B\n0.500000 0.718425 0.683147 B\n0.500000 0.281574 0.316853 B\n0.500000 0.388640 0.046085 B\n0.500000 0.475184 0.189845 B\n0.500000 0.888640 0.453915 B\n0.500000 0.111359 0.546085 B\n0.500000 0.860385 0.031407 B\n0.500000 0.524815 0.810154 B\n0.500000 0.975184 0.310155 B\n0.500000 0.024816 0.689845 B\n0.500000 0.611359 0.953914 B\n0.500000 0.139614 0.968593 B\n",
"nsites": 24,
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"elements": [
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"Co",
"B"
],
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"density": 8.208772334174324,
"density_atomic": 0.10777171640080485,
"volume": 222.69293652838923,
"volume_molar": 5.587867541798773,
"formula_full": "Yb4 Co4 B16",
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"formula_anonymous": "ABC4",
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},
{
"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-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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"elements": [
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"chemical_system": "Cd-Sb-Yb",
"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-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,
"nelements": 3,
"elements": [
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"Cd",
"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-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",
"nsites": 14,
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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",
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"formula_anonymous": "AB2C4",
"energy_above_hull": 0.4991115928571427,
"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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"elements": [
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"chemical_system": "Cd-Pd-Yb",
"density": 10.411596122440073,
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"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-120492",
"created_at": "2022-09-04T14:38:39.416058Z",
"updated_at": "2022-09-04T14:38:39.416085Z",
"structure_string": "Yb4 Cd1 S7\n1.0\n6.565555 -0.050928 4.075577\n5.324056 3.842335 4.075577\n1.057169 0.337114 11.573440\nYb Cd S\n4 1 7\ndirect\n0.312006 0.312004 0.813863 Yb\n0.695771 0.695770 0.182309 Yb\n0.005702 0.005702 -0.004588 Yb\n0.915620 0.915619 0.414260 Yb\n0.075446 0.075445 0.595062 Cd\n0.302311 0.302311 0.366797 S\n0.682270 0.682269 0.641335 S\n0.666770 0.666768 0.835137 S\n0.341952 0.341952 0.157049 S\n0.895846 0.895844 0.873630 S\n0.107160 0.107160 0.126007 S\n0.499154 0.499153 0.499140 S\n",
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"volume": 276.6218009014955,
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"formula_anonymous": "AB4C7",
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"spacegroup": 8
},
{
"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",
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"density_atomic": 0.06358101216253847,
"volume": 346.01525285189246,
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"formula_full": "Yb4 C6 N12",
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"formula_anonymous": "A2B3C6",
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},
{
"id": "jvasp-50067",
"created_at": "2022-09-04T14:37:00.380748Z",
"updated_at": "2022-09-04T14:37:00.380769Z",
"structure_string": "Yb4 C4 O12\n1.0\n4.895195 -0.000417 -0.003193\n0.000116 5.560272 -0.000360\n0.005195 0.000355 7.765055\nYb C O\n4 4 12\ndirect\n0.249979 0.761897 0.914980 Yb\n0.750009 0.738103 0.414978 Yb\n0.249990 0.261897 0.585022 Yb\n0.750020 0.238103 0.085020 Yb\n0.250028 0.910534 0.264789 C\n0.749999 0.589468 0.764788 C\n0.250000 0.410532 0.235212 C\n0.749971 0.089466 0.735211 C\n0.749982 0.103315 0.569842 O\n0.249999 0.396681 0.069844 O\n0.478206 0.410031 0.319798 O\n0.021795 0.410029 0.319808 O\n0.978204 0.589971 0.680191 O\n0.021823 0.910040 0.180201 O\n0.750000 0.603319 0.930156 O\n0.250017 0.896684 0.430158 O\n0.978176 0.089960 0.819799 O\n0.478235 0.910025 0.180196 O\n0.521793 0.589969 0.680202 O\n0.521764 0.089975 0.819804 O\n",
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],
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"formula_full": "Yb4 C4 O12",
"formula_reduced": "YbCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.14328224,
"spacegroup": 62
}
]
}