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"results": [
{
"id": "jvasp-14261",
"created_at": "2022-09-04T14:36:00.806303Z",
"updated_at": "2022-09-04T14:36:00.806332Z",
"structure_string": "Yb1 Mn2 As2\n1.0\n1.982139 -3.433166 0.000000\n1.982139 3.433166 -0.000000\n-0.000000 -0.000000 6.891302\nYb Mn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.666667 0.333333 0.383710 Mn\n0.333333 0.666667 0.616290 Mn\n0.666667 0.333333 0.733879 As\n0.333333 0.666667 0.266121 As\n",
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{
"id": "jvasp-51611",
"created_at": "2022-09-04T14:38:30.361094Z",
"updated_at": "2022-09-04T14:38:30.361110Z",
"structure_string": "Yb1 Mn4 Cu3 O12\n1.0\n5.879649 0.000003 -2.078777\n-2.939809 5.091834 -2.078742\n-0.000027 -0.000004 6.236253\nYb Mn Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Yb\n-0.000000 0.000001 0.500000 Mn\n0.500000 -0.000000 -0.000000 Mn\n0.500000 0.500000 0.499999 Mn\n1.000000 0.499999 -0.000001 Mn\n0.500000 0.000000 0.500000 Cu\n0.500000 0.499999 -0.000000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.520878 0.821345 0.699529 O\n0.821342 0.300472 0.121817 O\n0.821344 0.699527 0.520869 O\n0.699527 0.520870 0.821343 O\n0.699525 0.878181 0.178656 O\n0.178655 0.300473 0.479130 O\n0.878184 0.178654 0.699533 O\n0.178658 0.699528 0.878182 O\n0.300473 0.479129 0.178656 O\n0.121815 0.821345 0.300466 O\n0.479121 0.178654 0.300469 O\n0.300474 0.121819 0.821343 O\n",
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"volume": 186.70186477648025,
"volume_molar": 5.621724549192249,
"formula_full": "Yb1 Mn4 Cu3 O12",
"formula_reduced": "YbMn4(CuO4)3",
"formula_anonymous": "AB3C4D12",
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"spacegroup": 204
},
{
"id": "jvasp-116805",
"created_at": "2022-09-04T14:38:44.904621Z",
"updated_at": "2022-09-04T14:38:44.904642Z",
"structure_string": "Yb1 Mn4 Cu3 O12\n1.0\n5.871347 -0.000000 -2.075835\n-2.935673 5.084735 -2.075835\n-0.000000 -0.000000 6.227504\nYb Mn Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500001 0.500000 0.500001 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000001 0.500000 0.000001 Mn\n0.000001 0.500000 0.500000 Cu\n0.500001 0.500000 0.000001 Cu\n0.500000 0.000000 0.500000 Cu\n0.178582 0.878069 0.699487 O\n0.300515 0.821419 0.121934 O\n0.699488 0.821419 0.520907 O\n0.121933 0.300514 0.821419 O\n0.479095 0.300514 0.178582 O\n0.300514 0.178581 0.479095 O\n0.821420 0.520906 0.699488 O\n0.699487 0.178581 0.878068 O\n0.878069 0.699487 0.178583 O\n0.178582 0.479095 0.300514 O\n0.821419 0.121932 0.300514 O\n0.520906 0.699487 0.821420 O\n",
"nsites": 20,
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"elements": [
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"O"
],
"chemical_system": "Cu-Mn-O-Yb",
"density": 6.9257638256802005,
"density_atomic": 0.10757464176048957,
"volume": 185.9174213615246,
"volume_molar": 5.598104405876659,
"formula_full": "Yb1 Mn4 Cu3 O12",
"formula_reduced": "YbMn4(CuO4)3",
"formula_anonymous": "AB3C4D12",
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"spacegroup": 204
},
{
"id": "jvasp-103665",
"created_at": "2022-09-04T14:36:41.428283Z",
"updated_at": "2022-09-04T14:36:41.428299Z",
"structure_string": "Yb1 Mn2 Bi1 Sb1\n1.0\n4.359425 -0.000000 0.000000\n-2.179712 3.775373 0.000000\n-0.000000 -0.000000 7.729288\nYb Mn Bi Sb\n1 2 1 1\ndirect\n0.666667 0.333333 0.011181 Yb\n0.000000 0.000000 0.600351 Mn\n0.333334 0.666666 0.385585 Mn\n0.333334 0.666666 0.747463 Bi\n0.000000 0.000000 0.255420 Sb\n",
"nsites": 5,
"nelements": 4,
"elements": [
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"Mn",
"Bi",
"Sb"
],
"chemical_system": "Bi-Mn-Sb-Yb",
"density": 8.010246176315247,
"density_atomic": 0.03930442421678984,
"volume": 127.2121421349846,
"volume_molar": 15.321788526360084,
"formula_full": "Yb1 Mn2 Bi1 Sb1",
"formula_reduced": "YbMn2BiSb",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.167861116551724,
"spacegroup": 156
},
{
"id": "jvasp-117170",
"created_at": "2022-09-04T14:38:48.797715Z",
"updated_at": "2022-09-04T14:38:48.797724Z",
"structure_string": "Yb1 Mn28\n1.0\n7.038345 -0.000000 -2.488431\n-3.519172 6.095385 -2.488431\n-0.000000 -0.000000 7.465292\nYb Mn\n1 28\ndirect\n0.000000 0.000000 0.000000 Yb\n0.623662 0.623663 0.822000 Mn\n0.198337 0.000000 0.376337 Mn\n0.000000 0.198338 0.376338 Mn\n0.801663 0.801663 0.178000 Mn\n0.801662 0.178000 0.801662 Mn\n0.000000 0.376338 0.198338 Mn\n0.198338 0.376338 0.000000 Mn\n0.376337 0.000000 0.198337 Mn\n0.178000 0.801663 0.801663 Mn\n0.376337 0.198338 0.000000 Mn\n0.606493 0.286959 0.606493 Mn\n0.286959 0.606494 0.606494 Mn\n0.822000 0.623663 0.623663 Mn\n0.606493 0.606494 0.286959 Mn\n0.000000 0.680466 0.393507 Mn\n0.319535 0.319535 0.713041 Mn\n0.319535 0.713042 0.319535 Mn\n0.000000 0.393507 0.680465 Mn\n0.680465 0.393507 0.000000 Mn\n0.393506 0.000000 0.680465 Mn\n0.713041 0.319535 0.319535 Mn\n0.393507 0.680466 0.000000 Mn\n0.376585 0.376586 0.376585 Mn\n0.000000 0.000000 0.623414 Mn\n0.000000 0.623415 0.000000 Mn\n0.623414 0.000000 -0.000000 Mn\n0.680465 0.000000 0.393506 Mn\n0.623663 0.822001 0.623663 Mn\n",
"nsites": 29,
"nelements": 2,
"elements": [
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"Mn"
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"chemical_system": "Mn-Yb",
"density": 8.872746840113457,
"density_atomic": 0.09054813412463526,
"volume": 320.27164646024465,
"volume_molar": 6.650761849726031,
"formula_full": "Yb1 Mn28",
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"spacegroup": 217
},
{
"id": "jvasp-80023",
"created_at": "2022-09-04T14:37:16.693565Z",
"updated_at": "2022-09-04T14:37:16.693586Z",
"structure_string": "Yb1 Mg1 Tl2\n1.0\n-0.000000 3.699686 3.699686\n3.699686 -0.000000 3.699686\n3.699686 3.699686 -0.000000\nYb Mg Tl\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Yb\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500001 0.500001 Tl\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.03949438879485832,
"volume": 101.28021022876926,
"volume_molar": 15.248092055001006,
"formula_full": "Yb1 Mg1 Tl2",
"formula_reduced": "YbMgTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-56301",
"created_at": "2022-09-04T14:37:57.466474Z",
"updated_at": "2022-09-04T14:37:57.466493Z",
"structure_string": "Yb3 Mg3 Sn3\n1.0\n3.803256 -6.587433 0.000000\n3.803256 6.587433 -0.000000\n0.000000 0.000000 4.664380\nYb Mg Sn\n3 3 3\ndirect\n0.427572 0.427572 0.500000 Yb\n0.000000 0.572428 0.500000 Yb\n0.572428 0.000000 0.500000 Yb\n0.249228 0.000000 0.000000 Mg\n0.750772 0.750772 0.000000 Mg\n0.000000 0.249228 0.000000 Mg\n0.333334 0.666667 0.000000 Sn\n0.666667 0.333334 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n",
"nsites": 9,
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"elements": [
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"Mg",
"Sn"
],
"chemical_system": "Mg-Sn-Yb",
"density": 6.736546735866089,
"density_atomic": 0.03850763255799501,
"volume": 233.71989920298037,
"volume_molar": 15.63882368237066,
"formula_full": "Yb3 Mg3 Sn3",
"formula_reduced": "YbMgSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-41015",
"created_at": "2022-09-04T14:38:29.293347Z",
"updated_at": "2022-09-04T14:38:29.293370Z",
"structure_string": "Yb4 Mg4 Si4\n1.0\n4.413728 -0.000000 0.000000\n-0.000000 7.422661 0.000000\n0.000000 0.000000 8.205373\nYb Mg Si\n4 4 4\ndirect\n0.250000 0.518952 0.180801 Yb\n0.250000 0.018952 0.319199 Yb\n0.750000 0.981048 0.680801 Yb\n0.750000 0.481048 0.819198 Yb\n0.750000 0.854548 0.064634 Mg\n0.750000 0.354548 0.435366 Mg\n0.250000 0.645452 0.564633 Mg\n0.250000 0.145452 0.935366 Mg\n0.750000 0.230381 0.114483 Si\n0.750000 0.730381 0.385517 Si\n0.250000 0.269619 0.614483 Si\n0.250000 0.769619 0.885517 Si\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Mg-Si-Yb",
"density": 5.5700390878993575,
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"volume": 268.82120297245206,
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"formula_full": "Yb4 Mg4 Si4",
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"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-3141",
"created_at": "2022-09-04T14:36:20.605993Z",
"updated_at": "2022-09-04T14:36:20.606019Z",
"structure_string": "Yb1 Mg2 Sb2\n1.0\n2.324795 -4.026665 0.000000\n2.324795 4.026665 0.000000\n0.000000 0.000000 7.505258\nYb Mg Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.333334 0.666668 0.367891 Mg\n0.666668 0.333334 0.632109 Mg\n0.333334 0.666668 0.758703 Sb\n0.666668 0.333334 0.241298 Sb\n",
"nsites": 5,
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"volume_molar": 16.92414285559963,
"formula_full": "Yb1 Mg2 Sb2",
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"spacegroup": 164
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{
"id": "jvasp-38950",
"created_at": "2022-09-04T14:38:05.192100Z",
"updated_at": "2022-09-04T14:38:05.192123Z",
"structure_string": "Yb1 Mg1 O3\n1.0\n3.859373 0.000000 -0.000000\n0.000000 3.859373 -0.000000\n0.000000 0.000000 3.859373\nYb Mg O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"spacegroup": 221
},
{
"id": "jvasp-51740",
"created_at": "2022-09-04T14:38:16.082579Z",
"updated_at": "2022-09-04T14:38:16.082618Z",
"structure_string": "Yb4 Mg4 Ni4 H16\n1.0\n6.589115 -0.000000 0.000000\n0.000000 6.589115 -0.000000\n-0.000000 -0.000000 6.589115\nYb Mg Ni H\n4 4 4 16\ndirect\n0.155932 0.655932 0.844067 Yb\n0.655932 0.844067 0.155932 Yb\n0.844067 0.155932 0.655932 Yb\n0.344068 0.344068 0.344068 Yb\n0.841074 0.341075 0.158925 Mg\n0.341075 0.158925 0.841074 Mg\n0.158925 0.841074 0.341075 Mg\n0.658925 0.658925 0.658925 Mg\n0.044045 0.044045 0.044045 Ni\n0.544044 0.455955 0.955955 Ni\n0.955955 0.544044 0.455955 Ni\n0.455955 0.955955 0.544044 Ni\n0.234788 0.057219 0.562642 H\n0.557219 0.937357 0.765211 H\n0.062642 0.265212 0.942780 H\n0.734788 0.442780 0.437357 H\n0.942780 0.062642 0.265212 H\n0.437357 0.734788 0.442780 H\n0.765211 0.557219 0.937357 H\n0.095028 0.404972 0.595028 H\n0.937357 0.765211 0.557219 H\n0.265212 0.942780 0.062642 H\n0.904971 0.904971 0.904971 H\n0.404972 0.595028 0.095028 H\n0.562642 0.234788 0.057219 H\n0.595028 0.095028 0.404972 H\n0.442780 0.437357 0.734788 H\n0.057219 0.562642 0.234788 H\n",
"nsites": 28,
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"density_atomic": 0.09787612552143544,
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"volume_molar": 6.152818910553541,
"formula_full": "Yb4 Mg4 Ni4 H16",
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"formula_anonymous": "ABCD4",
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"spacegroup": 198
},
{
"id": "jvasp-79386",
"created_at": "2022-09-04T14:36:43.664202Z",
"updated_at": "2022-09-04T14:36:43.664222Z",
"structure_string": "Yb1 Mg1 In2\n1.0\n0.000000 3.664362 3.664362\n3.664362 -0.000000 3.664362\n3.664362 3.664362 -0.000000\nYb Mg In\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Yb\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 In\n0.499999 0.499999 0.499999 In\n",
"nsites": 4,
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"elements": [
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"In"
],
"chemical_system": "In-Mg-Yb",
"density": 7.204976015555304,
"density_atomic": 0.040647597671177337,
"volume": 98.40679964307819,
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"formula_full": "Yb1 Mg1 In2",
"formula_reduced": "YbMgIn2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
}
]
}