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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3475",
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"results": [
{
"id": "jvasp-21926",
"created_at": "2022-09-04T14:38:14.580491Z",
"updated_at": "2022-09-04T14:38:14.580518Z",
"structure_string": "Sc2 Si14 Ir6\n1.0\n6.686069 -0.004440 4.418430\n2.373889 6.250455 4.418430\n-0.006439 -0.004440 8.014112\nSc Si Ir\n2 14 6\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.750000 0.750001 0.750000 Si\n0.934145 0.149963 0.327216 Si\n0.149963 0.327217 0.934145 Si\n0.327216 0.934146 0.149962 Si\n0.350037 0.565855 0.172783 Si\n0.565855 0.172784 0.350037 Si\n0.172783 0.350038 0.565854 Si\n0.649963 0.434146 0.827216 Si\n0.827216 0.649963 0.434145 Si\n0.672784 0.065855 0.850037 Si\n0.850037 0.672784 0.065854 Si\n0.065854 0.850038 0.672783 Si\n0.250000 0.250000 0.250000 Si\n0.434145 0.827217 0.649962 Si\n0.750000 0.427162 0.072838 Ir\n0.427162 0.072838 0.750000 Ir\n0.927162 0.250000 0.572838 Ir\n0.250000 0.572839 0.927161 Ir\n0.572838 0.927162 0.250000 Ir\n0.072838 0.750001 0.427161 Ir\n",
"nsites": 22,
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"elements": [
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"density": 8.105014450213286,
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"formula_full": "Sc2 Si14 Ir6",
"formula_reduced": "ScSi7Ir3",
"formula_anonymous": "AB3C7",
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"spacegroup": 167
},
{
"id": "jvasp-21925",
"created_at": "2022-09-04T14:38:30.188316Z",
"updated_at": "2022-09-04T14:38:30.188352Z",
"structure_string": "Sc2 Si14 Rh6\n1.0\n6.665498 -0.012492 4.307368\n2.338629 6.241782 4.307368\n-0.018057 -0.012492 7.936117\nSc Si Rh\n2 14 6\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.750000 0.750000 0.750001 Si\n0.931919 0.148733 0.327676 Si\n0.148732 0.327676 0.931920 Si\n0.327676 0.931919 0.148733 Si\n0.351268 0.568081 0.172325 Si\n0.568081 0.172325 0.351268 Si\n0.172324 0.351268 0.568081 Si\n0.648732 0.431920 0.827676 Si\n0.827676 0.648733 0.431920 Si\n0.672324 0.068081 0.851268 Si\n0.851268 0.672324 0.068081 Si\n0.068081 0.851268 0.672325 Si\n0.250000 0.250000 0.250000 Si\n0.431919 0.827676 0.648733 Si\n0.750000 0.428361 0.071639 Rh\n0.428360 0.071640 0.750000 Rh\n0.928360 0.250000 0.571640 Rh\n0.250000 0.571640 0.928361 Rh\n0.571639 0.928361 0.250000 Rh\n0.071639 0.750000 0.428361 Rh\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Si",
"Rh"
],
"chemical_system": "Rh-Sc-Si",
"density": 5.5189589087763125,
"density_atomic": 0.06643916905728037,
"volume": 331.12996914565196,
"volume_molar": 9.064142200225332,
"formula_full": "Sc2 Si14 Rh6",
"formula_reduced": "ScSi7Rh3",
"formula_anonymous": "AB3C7",
"energy_above_hull": 3.604291313636363,
"spacegroup": 167
},
{
"id": "jvasp-16116",
"created_at": "2022-09-04T14:36:08.344801Z",
"updated_at": "2022-09-04T14:36:08.344821Z",
"structure_string": "Sc2 Si2 Au2\n1.0\n2.125311 -3.681146 0.000000\n2.125311 3.681146 -0.000000\n0.000000 0.000000 6.867643\nSc Si Au\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.333333 0.666667 0.295043 Si\n0.333333 0.666667 0.704957 Si\n0.666667 0.333333 0.784951 Au\n0.666667 0.333333 0.215048 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Au"
],
"chemical_system": "Au-Sc-Si",
"density": 8.344733184859543,
"density_atomic": 0.0558351916211325,
"volume": 107.45911003069112,
"volume_molar": 10.785564775819164,
"formula_full": "Sc2 Si2 Au2",
"formula_reduced": "ScSiAu",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5779071399999995,
"spacegroup": 187
},
{
"id": "jvasp-23791",
"created_at": "2022-09-04T14:37:50.565542Z",
"updated_at": "2022-09-04T14:37:50.565567Z",
"structure_string": "Sc4 Si4 Ni4\n1.0\n4.019530 0.000000 0.000000\n0.000000 6.440208 0.000000\n0.000000 0.000000 6.957428\nSc Si Ni\n4 4 4\ndirect\n0.750000 0.006969 0.203135 Sc\n0.250000 0.993032 0.796865 Sc\n0.750000 0.506969 0.296865 Sc\n0.250000 0.493031 0.703135 Sc\n0.250000 0.300571 0.092539 Si\n0.750000 0.699429 0.907461 Si\n0.250000 0.800571 0.407461 Si\n0.750000 0.199429 0.592540 Si\n0.250000 0.687183 0.080230 Ni\n0.750000 0.312818 0.919770 Ni\n0.250000 0.187182 0.419770 Ni\n0.750000 0.812818 0.580230 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Ni"
],
"chemical_system": "Ni-Sc-Si",
"density": 4.858315960131464,
"density_atomic": 0.0666280889638579,
"volume": 180.1042201061679,
"volume_molar": 9.038441374578044,
"formula_full": "Sc4 Si4 Ni4",
"formula_reduced": "ScSiNi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.711122083333333,
"spacegroup": 62
},
{
"id": "jvasp-15241",
"created_at": "2022-09-04T14:36:40.189044Z",
"updated_at": "2022-09-04T14:36:40.189059Z",
"structure_string": "Sc1 Si2 Ni2\n1.0\n3.592747 0.000000 -1.326617\n-0.489851 3.559196 -1.326617\n-0.005289 -0.006066 5.513929\nSc Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.621206 0.621205 0.242409 Si\n0.378795 0.378795 0.757590 Si\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Ni"
],
"chemical_system": "Ni-Sc-Si",
"density": 5.150440942257978,
"density_atomic": 0.07097193136571511,
"volume": 70.45038656529198,
"volume_molar": 8.485242889852026,
"formula_full": "Sc1 Si2 Ni2",
"formula_reduced": "Sc(SiNi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.17991545,
"spacegroup": 139
},
{
"id": "jvasp-112468",
"created_at": "2022-09-04T14:38:41.002228Z",
"updated_at": "2022-09-04T14:38:41.002259Z",
"structure_string": "Sc4 Si4 Pd4\n1.0\n4.013530 -0.000000 0.000000\n0.000000 6.578213 0.000000\n-0.000000 -0.000000 7.561010\nSc Si Pd\n4 4 4\ndirect\n0.250000 0.018680 0.313591 Sc\n0.250000 0.518680 0.186409 Sc\n0.750000 0.981319 0.686409 Sc\n0.750000 0.481319 0.813591 Sc\n0.250000 0.273613 0.615119 Si\n0.250000 0.773613 0.884881 Si\n0.750000 0.726387 0.384881 Si\n0.750000 0.226387 0.115119 Si\n0.250000 0.160225 0.931585 Pd\n0.250000 0.660224 0.568415 Pd\n0.750000 0.839775 0.068415 Pd\n0.750000 0.339775 0.431585 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Pd"
],
"chemical_system": "Pd-Sc-Si",
"density": 5.97125903726665,
"density_atomic": 0.06011280427672459,
"volume": 199.62469135126253,
"volume_molar": 10.018066587407146,
"formula_full": "Sc4 Si4 Pd4",
"formula_reduced": "ScSiPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.872543183333333,
"spacegroup": 62
},
{
"id": "jvasp-41908",
"created_at": "2022-09-04T14:37:43.652176Z",
"updated_at": "2022-09-04T14:37:43.652198Z",
"structure_string": "Sc1 Si1 Pd2\n1.0\n-0.000000 3.159693 3.159693\n3.159693 0.000000 3.159693\n3.159693 3.159693 -0.000000\nSc Si Pd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Sc\n0.749998 0.749998 0.749998 Si\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Pd"
],
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"density_atomic": 0.06340088666517267,
"volume": 63.09060031170317,
"volume_molar": 9.49851189274941,
"formula_full": "Sc1 Si1 Pd2",
"formula_reduced": "ScSiPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0695738125,
"spacegroup": 225
},
{
"id": "jvasp-17266",
"created_at": "2022-09-04T14:37:45.597193Z",
"updated_at": "2022-09-04T14:37:45.597222Z",
"structure_string": "Sc2 Si2 Pt4\n1.0\n3.702689 0.000000 0.000000\n-1.851345 4.989816 -0.000000\n0.000000 0.000000 7.016519\nSc Si Pt\n2 2 4\ndirect\n0.952837 0.905672 0.250000 Sc\n0.047165 0.094329 0.750000 Sc\n0.233705 0.467408 0.250000 Si\n0.766297 0.532593 0.750000 Si\n0.363327 0.726653 0.547439 Pt\n0.636675 0.273348 0.452562 Pt\n0.636675 0.273348 0.047438 Pt\n0.363327 0.726653 0.952562 Pt\n",
"nsites": 8,
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"elements": [
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"Si",
"Pt"
],
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"density": 11.86678286107016,
"density_atomic": 0.0617115584710237,
"volume": 129.63535840301867,
"volume_molar": 9.75852969720034,
"formula_full": "Sc2 Si2 Pt4",
"formula_reduced": "ScSiPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.4636916625,
"spacegroup": 63
},
{
"id": "jvasp-23443",
"created_at": "2022-09-04T14:37:37.152296Z",
"updated_at": "2022-09-04T14:37:37.152317Z",
"structure_string": "Sc4 Si4 Rh4\n1.0\n4.081111 -0.000000 0.000000\n-0.000000 6.538810 0.000000\n0.000000 0.000000 7.256296\nSc Si Rh\n4 4 4\ndirect\n0.750000 0.492405 0.810149 Sc\n0.250000 0.007595 0.310149 Sc\n0.750000 0.992405 0.689852 Sc\n0.250000 0.507595 0.189852 Sc\n0.250000 0.785462 0.887490 Si\n0.250000 0.285462 0.612511 Si\n0.750000 0.214538 0.112511 Si\n0.750000 0.714538 0.387490 Si\n0.250000 0.657100 0.565054 Rh\n0.250000 0.157100 0.934947 Rh\n0.750000 0.842900 0.065054 Rh\n0.750000 0.342900 0.434946 Rh\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Si",
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],
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"density": 6.035296660786611,
"density_atomic": 0.061971089379804195,
"volume": 193.63868087674265,
"volume_molar": 9.717661606837202,
"formula_full": "Sc4 Si4 Rh4",
"formula_reduced": "ScSiRh",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-39136",
"created_at": "2022-09-04T14:37:55.941346Z",
"updated_at": "2022-09-04T14:37:55.941371Z",
"structure_string": "Sc1 Si1 Rh2\n1.0\n0.000000 3.084787 3.084787\n3.084787 -0.000000 3.084787\n3.084787 3.084787 0.000000\nSc Si Rh\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Sc\n0.750001 0.750001 0.750001 Si\n0.000000 0.000000 0.000000 Rh\n0.500001 0.500001 0.500001 Rh\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.88711114881299,
"density_atomic": 0.06813251957000276,
"volume": 58.70911607621086,
"volume_molar": 8.838864022653016,
"formula_full": "Sc1 Si1 Rh2",
"formula_reduced": "ScSiRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6521074625,
"spacegroup": 225
},
{
"id": "jvasp-90062",
"created_at": "2022-09-04T14:36:19.259069Z",
"updated_at": "2022-09-04T14:36:19.259079Z",
"structure_string": "Sc3 Si3 Ru3\n1.0\n0.000000 0.000000 -3.399136\n-3.454955 -5.984158 0.000000\n-3.454985 5.984175 0.000000\nSc Si Ru\n3 3 3\ndirect\n0.500001 0.598088 -0.000000 Sc\n0.500001 0.401891 0.401901 Sc\n0.500001 -0.000011 0.598099 Sc\n0.000000 0.333322 0.666665 Si\n0.000000 0.666657 0.333334 Si\n0.500001 -0.000014 0.000000 Si\n0.000000 0.252403 -0.000000 Ru\n0.000000 0.747572 0.747584 Ru\n0.000000 0.999987 0.252414 Ru\n",
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"elements": [
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"Ru"
],
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"density_atomic": 0.0640318461367117,
"volume": 140.55506038018143,
"volume_molar": 9.404915090441687,
"formula_full": "Sc3 Si3 Ru3",
"formula_reduced": "ScSiRu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.732778116666667,
"spacegroup": 189
},
{
"id": "jvasp-80887",
"created_at": "2022-09-04T14:37:09.706058Z",
"updated_at": "2022-09-04T14:37:09.706080Z",
"structure_string": "Sc1 Si1 Ru2\n1.0\n-5.338945 -0.407037 -8.690192\n-3.527976 0.093246 -0.879593\n-2.967754 2.266403 -2.891510\nSc Si Ru\n1 1 2\ndirect\n0.521036 -0.073016 0.030894 Sc\n0.026955 0.174151 -0.227998 Si\n0.754985 -0.190036 0.180039 Ru\n0.197025 0.088900 0.017064 Ru\n",
"nsites": 4,
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"volume": 60.9662884404335,
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"formula_full": "Sc1 Si1 Ru2",
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"formula_anonymous": "ABC2",
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"spacegroup": 38
}
]
}