HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=47",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=45",
"results": [
{
"id": "jvasp-79901",
"created_at": "2022-09-04T14:37:03.238173Z",
"updated_at": "2022-09-04T14:37:03.238199Z",
"structure_string": "Ta2 Mo1 Os1\n1.0\n-0.000000 3.204998 3.204998\n3.204998 -0.000000 3.204998\n3.204998 3.204998 -0.000000\nTa Mo Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500001 0.500001 0.500001 Ta\n0.250000 0.250000 0.250000 Mo\n0.750000 0.750000 0.750000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mo",
"Os"
],
"chemical_system": "Mo-Os-Ta",
"density": 16.343869642982376,
"density_atomic": 0.06075005943047781,
"volume": 65.84355698577691,
"volume_molar": 9.912979207685748,
"formula_full": "Ta2 Mo1 Os1",
"formula_reduced": "Ta2MoOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 6.237087324999999,
"spacegroup": 225
},
{
"id": "jvasp-65059",
"created_at": "2022-09-04T14:35:51.992633Z",
"updated_at": "2022-09-04T14:35:51.992658Z",
"structure_string": "Ta4 Be1 V1\n1.0\n0.000000 3.787265 3.787265\n3.787265 -0.000000 3.787265\n3.787265 3.787265 0.000000\nTa Be V\n4 1 1\ndirect\n0.127927 0.624024 0.624024 Ta\n0.624024 0.624024 0.127927 Ta\n0.624024 0.624024 0.624024 Ta\n0.624024 0.127927 0.624024 Ta\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 V\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Be",
"V"
],
"chemical_system": "Be-Ta-V",
"density": 11.978899295596731,
"density_atomic": 0.055226074149193644,
"volume": 108.64433317839968,
"volume_molar": 10.904524452944353,
"formula_full": "Ta4 Be1 V1",
"formula_reduced": "Ta4BeV",
"formula_anonymous": "ABC4",
"energy_above_hull": 6.2369595166666665,
"spacegroup": 216
},
{
"id": "jvasp-118521",
"created_at": "2022-09-04T14:38:45.184690Z",
"updated_at": "2022-09-04T14:38:45.184706Z",
"structure_string": "Hf1 C3\n1.0\n3.425102 -0.000396 0.090658\n0.237615 -4.679053 -0.079702\n1.197984 2.149756 -2.878440\nHf C\n1 3\ndirect\n0.571025 0.939810 0.644672 Hf\n0.830765 0.005448 0.177689 C\n0.116054 0.629297 0.604764 C\n0.344616 0.427312 0.147326 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"C"
],
"chemical_system": "C-Hf",
"density": 7.535642073596019,
"density_atomic": 0.0846172908056673,
"volume": 47.27166235074141,
"volume_molar": 7.1169151158839306,
"formula_full": "Hf1 C3",
"formula_reduced": "HfC3",
"formula_anonymous": "AB3",
"energy_above_hull": 6.2188757500000005,
"spacegroup": 1
},
{
"id": "jvasp-109177",
"created_at": "2022-09-04T14:38:00.426527Z",
"updated_at": "2022-09-04T14:38:00.426546Z",
"structure_string": "Hf1 Zr1 Mo4\n1.0\n4.641417 -0.000000 2.679724\n1.547139 4.375970 2.679724\n-0.000000 -0.000000 5.359447\nHf Zr Mo\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Zr\n0.624993 0.624992 0.125021 Mo\n0.624993 0.125022 0.624992 Mo\n0.125022 0.624992 0.624992 Mo\n0.624993 0.624992 0.624992 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Zr",
"Mo"
],
"chemical_system": "Hf-Mo-Zr",
"density": 9.968561790781083,
"density_atomic": 0.055119636557464095,
"volume": 108.85412848730952,
"volume_molar": 10.925581400961729,
"formula_full": "Hf1 Zr1 Mo4",
"formula_reduced": "HfZrMo4",
"formula_anonymous": "ABC4",
"energy_above_hull": 6.212726849999999,
"spacegroup": 216
},
{
"id": "jvasp-108140",
"created_at": "2022-09-04T14:38:28.656729Z",
"updated_at": "2022-09-04T14:38:28.656750Z",
"structure_string": "Cr6 C3 N1\n1.0\n4.825331 -0.003350 0.000000\n-4.023767 2.663293 0.000000\n-0.000000 -0.000000 6.969379\nCr C N\n6 3 1\ndirect\n0.596963 0.403036 -0.000000 Cr\n0.389050 0.610948 0.500000 Cr\n0.863228 0.136772 0.169197 Cr\n0.147885 0.852113 0.315784 Cr\n0.863228 0.136772 0.830803 Cr\n0.147885 0.852113 0.684217 Cr\n0.502074 0.497924 0.257279 C\n0.502074 0.497924 0.742721 C\n0.244269 0.755729 -0.000000 C\n0.743336 0.256663 0.500000 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cr",
"C",
"N"
],
"chemical_system": "C-Cr-N",
"density": 6.718800893312778,
"density_atomic": 0.11176752351398848,
"volume": 89.47142860106791,
"volume_molar": 5.388095370339208,
"formula_full": "Cr6 C3 N1",
"formula_reduced": "Cr6C3N",
"formula_anonymous": "AB3C6",
"energy_above_hull": 6.209264765,
"spacegroup": 38
},
{
"id": "jvasp-58240",
"created_at": "2022-09-04T14:37:50.012709Z",
"updated_at": "2022-09-04T14:37:50.012723Z",
"structure_string": "Ta10 Si6\n1.0\n3.771504 -6.532437 0.000000\n3.771504 6.532437 0.000000\n0.000000 -0.000000 5.282043\nTa Si\n10 6\ndirect\n-0.000000 0.243839 0.250000 Ta\n-0.000001 0.756160 0.750000 Ta\n0.756160 -0.000001 0.750000 Ta\n0.756160 0.756160 0.250000 Ta\n0.243839 -0.000000 0.250000 Ta\n0.243839 0.243839 0.750000 Ta\n0.333332 0.666667 0.500000 Ta\n0.666667 0.333332 0.000000 Ta\n0.666667 0.333332 0.500000 Ta\n0.333332 0.666667 0.000000 Ta\n0.395561 0.395561 0.250000 Si\n0.395562 -0.000000 0.750000 Si\n-0.000000 0.395562 0.750000 Si\n-0.000000 0.604438 0.250000 Si\n0.604438 -0.000000 0.250000 Si\n0.604437 0.604437 0.750000 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ta",
"Si"
],
"chemical_system": "Si-Ta",
"density": 12.61978202411762,
"density_atomic": 0.061474959591656435,
"volume": 260.26857286737555,
"volume_molar": 9.796087382572829,
"formula_full": "Ta10 Si6",
"formula_reduced": "Ta5Si3",
"formula_anonymous": "A3B5",
"energy_above_hull": 6.206845225,
"spacegroup": 193
},
{
"id": "jvasp-102776",
"created_at": "2022-09-04T14:36:51.514232Z",
"updated_at": "2022-09-04T14:36:51.514250Z",
"structure_string": "Cr6 C3 N1\n1.0\n4.815312 0.004652 0.103602\n4.001284 2.678988 0.103602\n0.070834 0.021561 6.906578\nCr C N\n6 3 1\ndirect\n0.598187 0.598188 0.241202 Cr\n0.401811 0.401811 0.758797 Cr\n0.858987 0.858988 0.437723 Cr\n0.141011 0.141011 0.562277 Cr\n0.851784 0.851785 0.080315 Cr\n0.148214 0.148215 0.919685 Cr\n0.499999 0.500000 0.500000 C\n0.247155 0.247155 0.261925 C\n0.752843 0.752845 0.738074 C\n0.499999 0.500000 -0.000000 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cr",
"C",
"N"
],
"chemical_system": "C-Cr-N",
"density": 6.758492266005466,
"density_atomic": 0.11242779109762052,
"volume": 88.94597948043867,
"volume_molar": 5.356452084672734,
"formula_full": "Cr6 C3 N1",
"formula_reduced": "Cr6C3N",
"formula_anonymous": "AB3C6",
"energy_above_hull": 6.202997765,
"spacegroup": 12
},
{
"id": "jvasp-120452",
"created_at": "2022-09-04T14:38:52.611477Z",
"updated_at": "2022-09-04T14:38:52.611506Z",
"structure_string": "Ta16 Co8 N4\n1.0\n7.092198 -0.000000 4.094683\n2.364066 6.686589 4.094683\n0.000000 0.000000 8.189365\nTa Co N\n16 8 4\ndirect\n0.125000 0.625000 0.625000 Ta\n0.436635 0.063365 0.063365 Ta\n0.063366 0.436635 0.436635 Ta\n0.436635 0.063365 0.436635 Ta\n0.063365 0.063365 0.436635 Ta\n0.436635 0.436635 0.063365 Ta\n0.813366 0.186635 0.186634 Ta\n0.186635 0.813366 0.813365 Ta\n0.063366 0.436635 0.063365 Ta\n0.813366 0.186635 0.813365 Ta\n0.186635 0.186635 0.813366 Ta\n0.813366 0.813366 0.186634 Ta\n0.625000 0.625000 0.625000 Ta\n0.625000 0.625000 0.124999 Ta\n0.625000 0.125000 0.625000 Ta\n0.186635 0.813366 0.186634 Ta\n0.833722 0.833721 0.833721 Co\n0.833722 0.833721 0.498835 Co\n0.833721 0.498836 0.833721 Co\n0.498836 0.833721 0.833721 Co\n0.416279 0.416279 0.751164 Co\n0.416279 0.751164 0.416279 Co\n0.751164 0.416279 0.416279 Co\n0.416279 0.416279 0.416279 Co\n0.125000 0.125000 0.625000 N\n0.625000 0.125000 0.125000 N\n0.125000 0.625000 0.125000 N\n0.125000 0.125000 0.125000 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ta",
"Co",
"N"
],
"chemical_system": "Co-N-Ta",
"density": 14.634468343974865,
"density_atomic": 0.07209785133213095,
"volume": 388.36108819683494,
"volume_molar": 8.352732638671837,
"formula_full": "Ta16 Co8 N4",
"formula_reduced": "Ta4Co2N",
"formula_anonymous": "AB2C4",
"energy_above_hull": 6.202730264285713,
"spacegroup": 227
},
{
"id": "jvasp-65167",
"created_at": "2022-09-04T14:36:14.238866Z",
"updated_at": "2022-09-04T14:36:14.238885Z",
"structure_string": "Be1 Re4 Si1\n1.0\n0.000000 3.635862 3.635862\n3.635862 0.000000 3.635862\n3.635862 3.635862 0.000000\nBe Re Si\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.124116 0.625294 0.625294 Re\n0.625294 0.625294 0.625294 Re\n0.625294 0.124116 0.625294 Re\n0.625294 0.625294 0.124116 Re\n0.250000 0.250000 0.250000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Re",
"Si"
],
"chemical_system": "Be-Re-Si",
"density": 13.507109045881968,
"density_atomic": 0.062416452485631845,
"volume": 96.12850075677065,
"volume_molar": 9.648322710083988,
"formula_full": "Be1 Re4 Si1",
"formula_reduced": "BeRe4Si",
"formula_anonymous": "ABC4",
"energy_above_hull": 6.192887783333334,
"spacegroup": 216
},
{
"id": "jvasp-20269",
"created_at": "2022-09-04T14:37:55.812869Z",
"updated_at": "2022-09-04T14:37:55.812882Z",
"structure_string": "Ta10 Si6\n1.0\n5.925271 -0.000000 -2.850745\n-1.371538 5.764354 -2.850739\n-0.007571 -0.009573 7.567472\nTa Si\n10 6\ndirect\n0.184882 0.013382 0.698265 Ta\n0.013383 0.513382 0.698265 Ta\n0.684886 0.184884 0.698258 Ta\n0.986617 0.486618 0.301735 Ta\n0.513372 0.684884 0.698257 Ta\n0.815118 0.986618 0.301735 Ta\n0.486627 0.315116 0.301743 Ta\n0.315114 0.815116 0.301742 Ta\n0.500000 0.500000 -0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n0.630766 0.130767 0.999994 Si\n0.869227 0.630767 0.999994 Si\n0.130773 0.369233 0.000006 Si\n0.369233 0.869233 0.000006 Si\n0.750003 0.750000 0.500000 Si\n0.249997 0.250000 0.500000 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ta",
"Si"
],
"chemical_system": "Si-Ta",
"density": 12.723537496292503,
"density_atomic": 0.061980385394350516,
"volume": 258.1461844452873,
"volume_molar": 9.716204121165266,
"formula_full": "Ta10 Si6",
"formula_reduced": "Ta5Si3",
"formula_anonymous": "A3B5",
"energy_above_hull": 6.192755225,
"spacegroup": 140
},
{
"id": "jvasp-123533",
"created_at": "2022-09-04T14:38:51.494913Z",
"updated_at": "2022-09-04T14:38:51.494933Z",
"structure_string": "U3 Ta1\n1.0\n2.869988 0.000000 0.000000\n0.000000 5.665655 0.000000\n0.000000 0.000000 5.039193\nU Ta\n3 1\ndirect\n0.500000 0.389491 0.250000 U\n0.500000 0.606743 0.749999 U\n0.000000 0.891463 0.250000 U\n0.000000 0.112301 0.749999 Ta\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"Ta"
],
"chemical_system": "Ta-U",
"density": 18.13834793786708,
"density_atomic": 0.04881674216975339,
"volume": 81.93910167316287,
"volume_molar": 12.336220100593458,
"formula_full": "U3 Ta1",
"formula_reduced": "U3Ta",
"formula_anonymous": "AB3",
"energy_above_hull": 6.1863693,
"spacegroup": 25
},
{
"id": "jvasp-103047",
"created_at": "2022-09-04T14:36:35.917901Z",
"updated_at": "2022-09-04T14:36:35.917927Z",
"structure_string": "Ta3 N1\n1.0\n2.998357 -0.000000 -0.000000\n-1.499179 2.596654 0.000000\n-0.000000 0.000000 7.659017\nTa N\n3 1\ndirect\n0.000000 0.000000 0.500000 Ta\n0.333333 0.666666 0.176531 Ta\n0.666667 0.333333 0.823469 Ta\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"N"
],
"chemical_system": "N-Ta",
"density": 15.506619407608998,
"density_atomic": 0.0670794560826813,
"volume": 59.63077570381086,
"volume_molar": 8.977623122908428,
"formula_full": "Ta3 N1",
"formula_reduced": "Ta3N",
"formula_anonymous": "AB3",
"energy_above_hull": 6.1861852125,
"spacegroup": 164
}
]
}