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{
"id": "jvasp-110891",
"created_at": "2022-09-04T14:38:37.180745Z",
"updated_at": "2022-09-04T14:38:37.180777Z",
"structure_string": "Yb3 Cd1\n1.0\n4.785988 -0.000000 2.763192\n1.595329 4.512273 2.763192\n-0.000000 -0.000000 5.526383\nYb Cd\n3 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750001 0.749999 0.749999 Yb\n0.500000 0.500000 0.499999 Yb\n0.000000 0.000000 0.000000 Cd\n",
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{
"id": "jvasp-41510",
"created_at": "2022-09-04T14:37:52.489688Z",
"updated_at": "2022-09-04T14:37:52.489713Z",
"structure_string": "Yb1 Cd3\n1.0\n-0.000000 3.577005 3.577005\n3.577005 0.000000 3.577005\n3.577005 3.577005 -0.000000\nYb Cd\n1 3\ndirect\n0.750000 0.750000 0.750000 Yb\n0.000000 0.000000 0.000000 Cd\n0.499998 0.499998 0.499998 Cd\n0.250001 0.250001 0.250001 Cd\n",
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{
"id": "jvasp-20216",
"created_at": "2022-09-04T14:37:41.534739Z",
"updated_at": "2022-09-04T14:37:41.534765Z",
"structure_string": "Yb1 Cd1\n1.0\n3.734531 -0.000000 0.000000\n0.000000 3.734531 -0.000000\n0.000000 -0.000000 3.734531\nYb Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
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"density": 9.100650995569545,
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"volume": 52.084464872984846,
"volume_molar": 15.682998943719513,
"formula_full": "Yb1 Cd1",
"formula_reduced": "YbCd",
"formula_anonymous": "AB",
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"spacegroup": 221
},
{
"id": "jvasp-20474",
"created_at": "2022-09-04T14:37:44.271561Z",
"updated_at": "2022-09-04T14:37:44.271583Z",
"structure_string": "Yb1 Cd1\n1.0\n3.734531 -0.000000 0.000000\n0.000000 3.734531 -0.000000\n0.000000 -0.000000 3.734531\nYb Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Cd-Yb",
"density": 9.100650995569545,
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"volume": 52.084464872984846,
"volume_molar": 15.682998943719513,
"formula_full": "Yb1 Cd1",
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"formula_anonymous": "AB",
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"spacegroup": 221
},
{
"id": "jvasp-100153",
"created_at": "2022-09-04T14:36:51.404953Z",
"updated_at": "2022-09-04T14:36:51.404988Z",
"structure_string": "Ca2 Yb6\n1.0\n7.586232 -0.000000 0.000000\n-3.793116 6.569870 0.000000\n0.000000 -0.000000 6.230843\nYb Ca\n6 2\ndirect\n0.166456 0.332912 0.250000 Yb\n0.667088 0.833544 0.250000 Yb\n0.166455 0.833544 0.250000 Yb\n0.833543 0.667088 0.750000 Yb\n0.332912 0.166456 0.750000 Yb\n0.833544 0.166456 0.750000 Yb\n0.333333 0.666667 0.750000 Ca\n0.666667 0.333333 0.250000 Ca\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Ca"
],
"chemical_system": "Ca-Yb",
"density": 5.980190215174191,
"density_atomic": 0.02576085555370311,
"volume": 310.54869211632234,
"volume_molar": 23.377099209479944,
"formula_full": "Ca2 Yb6",
"formula_reduced": "CaYb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.00296,
"spacegroup": 194
},
{
"id": "jvasp-107647",
"created_at": "2022-09-04T14:36:56.624309Z",
"updated_at": "2022-09-04T14:36:56.624340Z",
"structure_string": "Ca1 Yb3\n1.0\n5.178031 -0.000000 2.989538\n1.726010 4.881895 2.989538\n-0.000000 -0.000000 5.979076\nYb Ca\n3 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.749999 0.750001 Yb\n0.500000 0.500000 0.500001 Yb\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"density": 6.143665368685208,
"density_atomic": 0.026465057203598975,
"volume": 151.14269238972366,
"volume_molar": 22.755064210407415,
"formula_full": "Ca1 Yb3",
"formula_reduced": "CaYb3",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-107901",
"created_at": "2022-09-04T14:36:07.680906Z",
"updated_at": "2022-09-04T14:36:07.680934Z",
"structure_string": "Ca1 Yb3\n1.0\n5.360824 -0.000000 0.000000\n0.000000 5.360824 0.000000\n-0.000000 -0.000000 5.360824\nYb Ca\n3 1\ndirect\n-0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 -0.000000 Yb\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
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"elements": [
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"density": 6.027261846355981,
"density_atomic": 0.0259636259419216,
"volume": 154.06168648969356,
"volume_molar": 23.19452904409812,
"formula_full": "Ca1 Yb3",
"formula_reduced": "CaYb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-7691",
"created_at": "2022-09-04T14:37:05.566867Z",
"updated_at": "2022-09-04T14:37:05.566894Z",
"structure_string": "Yb1 C2\n1.0\n3.363753 0.000000 -1.718629\n-0.878093 3.247120 -1.718629\n0.007764 0.010141 4.166327\nYb C\n1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.598072 0.598072 0.196142 C\n0.401927 0.401928 0.803857 C\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "C-Yb",
"density": 7.172280466869893,
"density_atomic": 0.06575485999279729,
"volume": 45.62400407100885,
"volume_molar": 9.158472485014277,
"formula_full": "Yb1 C2",
"formula_reduced": "YbC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.256896899999999,
"spacegroup": 139
},
{
"id": "jvasp-22426",
"created_at": "2022-09-04T14:37:45.708305Z",
"updated_at": "2022-09-04T14:37:45.708321Z",
"structure_string": "Yb8 C12\n1.0\n6.769109 0.000000 -2.393242\n-3.384555 5.862220 -2.393242\n0.000000 0.000000 7.179724\nYb C\n8 12\ndirect\n0.113474 0.113474 0.113474 Yb\n0.000001 0.886526 0.500000 Yb\n0.500000 -0.000000 0.886526 Yb\n0.000000 0.386526 0.500000 Yb\n0.500000 -0.000000 0.386526 Yb\n0.386527 0.500000 0.000000 Yb\n0.613474 0.613474 0.613474 Yb\n0.886527 0.500000 0.000001 Yb\n0.797477 0.047477 0.750000 C\n0.047477 0.750000 0.797477 C\n0.750001 0.797477 0.047477 C\n0.702524 0.452523 0.250000 C\n0.250001 0.702523 0.452523 C\n0.952524 0.202523 0.750000 C\n0.202524 0.750000 0.952523 C\n0.547477 0.297477 0.250000 C\n0.297477 0.250000 0.547477 C\n0.750001 0.952523 0.202524 C\n0.250000 0.547477 0.297477 C\n0.452524 0.250000 0.702523 C\n",
"nsites": 20,
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"elements": [
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"chemical_system": "C-Yb",
"density": 8.90837538640405,
"density_atomic": 0.07019862828000475,
"volume": 284.9058520093157,
"volume_molar": 8.57871572073914,
"formula_full": "Yb8 C12",
"formula_reduced": "Yb2C3",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.45809828,
"spacegroup": 220
},
{
"id": "jvasp-54910",
"created_at": "2022-09-04T14:38:35.744273Z",
"updated_at": "2022-09-04T14:38:35.744302Z",
"structure_string": "Yb4 Br8\n1.0\n6.503057 -0.000000 0.000000\n0.000000 7.179854 0.000000\n0.000000 0.000000 8.036257\nYb Br\n4 8\ndirect\n0.000000 0.250000 0.645001 Yb\n0.500000 0.250000 0.145001 Yb\n0.500000 0.750000 0.854999 Yb\n0.000000 0.750000 0.354999 Yb\n0.754494 0.922158 0.609840 Br\n0.254494 0.077842 0.890161 Br\n0.745507 0.922158 0.109840 Br\n0.245506 0.577842 0.609840 Br\n0.245506 0.077842 0.390160 Br\n0.754494 0.422158 0.390160 Br\n0.745507 0.422158 0.890161 Br\n0.254494 0.577842 0.109840 Br\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Yb",
"Br"
],
"chemical_system": "Br-Yb",
"density": 5.892072061082543,
"density_atomic": 0.03198116317252727,
"volume": 375.22087408966854,
"volume_molar": 18.83027433215184,
"formula_full": "Yb4 Br8",
"formula_reduced": "YbBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 60
},
{
"id": "jvasp-30044",
"created_at": "2022-09-04T14:38:09.427117Z",
"updated_at": "2022-09-04T14:38:09.427142Z",
"structure_string": "Yb2 Br6\n1.0\n5.824728 -0.410536 3.326304\n1.736357 5.575039 3.326303\n-0.601044 -0.410535 6.680606\nYb Br\n2 6\ndirect\n0.196377 0.196377 0.196377 Yb\n0.803625 0.803622 0.803622 Yb\n0.124997 0.749698 0.371889 Br\n0.371890 0.124995 0.749698 Br\n0.749699 0.371889 0.124996 Br\n0.250303 0.628110 0.875004 Br\n0.628112 0.875003 0.250301 Br\n0.875005 0.250301 0.628110 Br\n",
"nsites": 8,
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"density": 5.729454212558568,
"density_atomic": 0.0334375894076117,
"volume": 239.25169672006587,
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"formula_full": "Yb2 Br6",
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"spacegroup": 148
},
{
"id": "jvasp-3513",
"created_at": "2022-09-04T14:36:33.366724Z",
"updated_at": "2022-09-04T14:36:33.366755Z",
"structure_string": "Yb2 Br4\n1.0\n4.248315 0.000000 0.000000\n0.000000 6.456613 0.000000\n0.000000 0.000000 6.848727\nYb Br\n2 4\ndirect\n0.000000 0.500000 0.500000 Yb\n0.499999 0.000000 0.000000 Yb\n0.499999 0.254443 0.343264 Br\n0.499999 0.745556 0.656736 Br\n0.000000 0.245556 0.843265 Br\n0.000000 0.754443 0.156736 Br\n",
"nsites": 6,
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"spacegroup": 58
}
]
}