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=density_atomic&page=1000",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=998",
"results": [
{
"id": "jvasp-68766",
"created_at": "2022-09-04T14:36:12.442078Z",
"updated_at": "2022-09-04T14:36:12.442098Z",
"structure_string": "Y2 Be1 Bi1\n1.0\n-2.170668 2.170668 5.362452\n2.170668 -2.170668 5.362452\n2.170668 2.170668 -5.362452\nY Be Bi\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.750000 0.500000 Y\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Be",
"Bi"
],
"chemical_system": "Be-Bi-Y",
"density": 6.5030840748124445,
"density_atomic": 0.039577629113339036,
"volume": 101.0671960299881,
"volume_molar": 15.216022017777536,
"formula_full": "Y2 Be1 Bi1",
"formula_reduced": "Y2BeBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.092765325,
"spacegroup": 119
},
{
"id": "jvasp-54874",
"created_at": "2022-09-04T14:38:35.614320Z",
"updated_at": "2022-09-04T14:38:35.614353Z",
"structure_string": "Er16 In4 Rh4\n1.0\n8.227771 -0.000000 4.750306\n2.742591 7.757216 4.750306\n0.000000 0.000000 9.500612\nEr In Rh\n16 4 4\ndirect\n0.189469 0.810531 0.189470 Er\n0.810530 0.189470 0.189470 Er\n0.437708 0.062292 0.437708 Er\n0.189469 0.810531 0.810531 Er\n0.650046 0.650046 0.049863 Er\n0.650046 0.650046 0.650046 Er\n0.650046 0.049862 0.650046 Er\n0.810530 0.189470 0.810531 Er\n0.437708 0.437708 0.062292 Er\n0.062292 0.437708 0.062292 Er\n0.810530 0.810531 0.189470 Er\n0.049862 0.650046 0.650046 Er\n0.437708 0.062292 0.062292 Er\n0.062292 0.437708 0.437708 Er\n0.062292 0.062292 0.437708 Er\n0.189469 0.189470 0.810530 Er\n0.751107 0.416298 0.416298 In\n0.416297 0.751108 0.416298 In\n0.416297 0.416298 0.751107 In\n0.416297 0.416298 0.416298 In\n0.857588 0.857589 0.427236 Rh\n0.427235 0.857589 0.857589 Rh\n0.857588 0.427236 0.857589 Rh\n0.857588 0.857589 0.857589 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Er",
"In",
"Rh"
],
"chemical_system": "Er-In-Rh",
"density": 9.713489528219089,
"density_atomic": 0.03957961627471913,
"volume": 606.3727306858615,
"volume_molar": 15.215258071732622,
"formula_full": "Er16 In4 Rh4",
"formula_reduced": "Er4InRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3552221616666662,
"spacegroup": 216
},
{
"id": "jvasp-51256",
"created_at": "2022-09-04T14:37:04.429313Z",
"updated_at": "2022-09-04T14:37:04.429342Z",
"structure_string": "Ca1 Hf1 Zn1\n1.0\n0.000026 3.358944 3.358952\n3.358926 0.000020 3.358958\n3.358926 3.358949 0.000020\nCa Hf Zn\n1 1 1\ndirect\n0.499998 0.500001 0.500000 Ca\n0.250000 0.249999 0.250001 Hf\n-0.000000 0.000001 -0.000000 Zn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Hf",
"Zn"
],
"chemical_system": "Ca-Hf-Zn",
"density": 6.221553315090016,
"density_atomic": 0.03958109616863111,
"volume": 75.79375738405056,
"volume_molar": 15.214689189868064,
"formula_full": "Ca1 Hf1 Zn1",
"formula_reduced": "CaHfZn",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3014112733333336,
"spacegroup": 216
},
{
"id": "jvasp-118679",
"created_at": "2022-09-04T14:38:28.197142Z",
"updated_at": "2022-09-04T14:38:28.197166Z",
"structure_string": "Mg2 Cd1\n1.0\n3.120186 0.000000 0.000000\n0.000000 3.070983 0.000000\n0.000000 0.000000 7.909885\nMg Cd\n2 1\ndirect\n-0.033325 0.000000 0.683213 Mg\n-0.033325 0.000000 0.316788 Mg\n0.466649 0.000000 0.000000 Cd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 3.527796713158755,
"density_atomic": 0.039581585731021066,
"volume": 75.79281993365986,
"volume_molar": 15.214501007927783,
"formula_full": "Mg2 Cd1",
"formula_reduced": "Mg2Cd",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3288507843137255,
"spacegroup": 47
},
{
"id": "jvasp-118654",
"created_at": "2022-09-04T14:38:28.077612Z",
"updated_at": "2022-09-04T14:38:28.077633Z",
"structure_string": "Na1 Al1 Se2\n1.0\n4.046921 -0.000000 -0.000000\n-2.023461 3.504737 -0.000000\n0.000000 -0.000000 7.124916\nNa Al Se\n1 1 2\ndirect\n0.000000 0.000000 0.193640 Na\n0.333334 0.666668 0.683493 Al\n0.333334 0.666668 0.996189 Se\n0.666667 0.333334 0.525779 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Al",
"Se"
],
"chemical_system": "Al-Na-Se",
"density": 3.4160602376000697,
"density_atomic": 0.03958221401820334,
"volume": 101.0554891689599,
"volume_molar": 15.214259508653297,
"formula_full": "Na1 Al1 Se2",
"formula_reduced": "NaAlSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7081446333333333,
"spacegroup": 156
},
{
"id": "jvasp-4388",
"created_at": "2022-09-04T14:37:14.057868Z",
"updated_at": "2022-09-04T14:37:14.057884Z",
"structure_string": "C2 S4\n1.0\n4.093651 0.000234 0.000000\n-0.562289 4.054850 0.000000\n0.000000 0.000000 9.131795\nC S\n2 4\ndirect\n0.000000 0.000000 0.000000 C\n0.500000 0.499999 0.500000 C\n0.200732 0.200732 0.122300 S\n0.299268 0.299268 0.622299 S\n0.700732 0.700731 0.377700 S\n0.799268 0.799267 0.877700 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"C",
"S"
],
"chemical_system": "C-S",
"density": 1.6682101324832386,
"density_atomic": 0.039582757599591525,
"volume": 151.5811520939086,
"volume_molar": 15.21405057454144,
"formula_full": "C2 S4",
"formula_reduced": "CS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.990743333333333,
"spacegroup": 64
},
{
"id": "jvasp-110841",
"created_at": "2022-09-04T14:38:37.181570Z",
"updated_at": "2022-09-04T14:38:37.181588Z",
"structure_string": "Nd2 Hg6\n1.0\n6.779482 0.000000 0.000000\n-3.389742 5.871204 0.000000\n0.000000 -0.000000 5.077426\nNd Hg\n2 6\ndirect\n0.333333 0.666666 0.750001 Nd\n0.666666 0.333333 0.250000 Nd\n0.835755 0.164245 0.750001 Hg\n0.328489 0.164245 0.750001 Hg\n0.835755 0.671511 0.750001 Hg\n0.164245 0.835754 0.250000 Hg\n0.671511 0.835754 0.250000 Hg\n0.164245 0.328489 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"Hg"
],
"chemical_system": "Hg-Nd",
"density": 12.259072723319992,
"density_atomic": 0.039584275616168195,
"volume": 202.10045214853952,
"volume_molar": 15.213467131226867,
"formula_full": "Nd2 Hg6",
"formula_reduced": "NdHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-18118",
"created_at": "2022-09-04T14:38:15.517813Z",
"updated_at": "2022-09-04T14:38:15.517836Z",
"structure_string": "Y3 Mg3 In3\n1.0\n3.759968 -6.512454 0.000000\n3.759968 6.512454 -0.000000\n-0.000000 -0.000000 4.642481\nY Mg In\n3 3 3\ndirect\n0.000000 0.567806 0.000000 Y\n0.567806 0.000000 0.000000 Y\n0.432194 0.432194 0.000000 Y\n0.242591 0.000000 0.500000 Mg\n0.757409 0.757409 0.500000 Mg\n0.000000 0.242591 0.500000 Mg\n0.333333 0.666667 0.500000 In\n0.666667 0.333333 0.500000 In\n0.000000 0.000000 0.000000 In\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Y",
"Mg",
"In"
],
"chemical_system": "In-Mg-Y",
"density": 4.996330987940071,
"density_atomic": 0.03958526542144507,
"volume": 227.35732359455918,
"volume_molar": 15.213086727814495,
"formula_full": "Y3 Mg3 In3",
"formula_reduced": "YMgIn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3154581566666666,
"spacegroup": 189
},
{
"id": "jvasp-111745",
"created_at": "2022-09-04T14:38:52.713995Z",
"updated_at": "2022-09-04T14:38:52.714024Z",
"structure_string": "Ho16 Mg4 Ni4\n1.0\n8.226737 0.000000 4.749708\n2.742246 7.756242 4.749708\n0.000000 0.000000 9.499417\nHo Mg Ni\n16 4 4\ndirect\n0.345958 0.345957 0.345958 Ho\n0.934176 0.934175 0.565825 Ho\n0.565825 0.565826 0.934174 Ho\n0.934176 0.565826 0.934174 Ho\n0.565827 0.934175 0.565825 Ho\n0.934176 0.565826 0.565825 Ho\n0.812779 0.812778 0.187222 Ho\n0.187222 0.187222 0.812778 Ho\n0.565826 0.934175 0.934174 Ho\n0.187223 0.812778 0.187222 Ho\n0.187223 0.812778 0.812778 Ho\n0.812778 0.187222 0.187222 Ho\n0.962128 0.345957 0.345958 Ho\n0.345958 0.962127 0.345958 Ho\n0.345958 0.345957 0.962128 Ho\n0.812778 0.187222 0.812778 Ho\n0.579726 0.579726 0.579726 Mg\n0.579726 0.579726 0.260823 Mg\n0.579726 0.260823 0.579726 Mg\n0.260823 0.579726 0.579726 Mg\n0.141967 0.574098 0.141967 Ni\n0.141967 0.141967 0.141967 Ni\n0.141967 0.141967 0.574098 Ni\n0.574099 0.141967 0.141967 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ho",
"Mg",
"Ni"
],
"chemical_system": "Ho-Mg-Ni",
"density": 8.138757404185887,
"density_atomic": 0.03959454208869547,
"volume": 606.1441485101093,
"volume_molar": 15.209522429909258,
"formula_full": "Ho16 Mg4 Ni4",
"formula_reduced": "Ho4MgNi",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0312289527777778,
"spacegroup": 216
},
{
"id": "jvasp-68683",
"created_at": "2022-09-04T14:35:44.176726Z",
"updated_at": "2022-09-04T14:35:44.176745Z",
"structure_string": "Na2 Be1 Cl1\n1.0\n-1.980956 1.980956 6.435692\n1.980956 -1.980956 6.435692\n1.980956 1.980956 -6.435692\nNa Be Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.750001 0.500001 Na\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Cl"
],
"chemical_system": "Be-Cl-Na",
"density": 1.4867139531059272,
"density_atomic": 0.03959634412321288,
"volume": 101.0194271358261,
"volume_molar": 15.20883024266271,
"formula_full": "Na2 Be1 Cl1",
"formula_reduced": "Na2BeCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.074827041875,
"spacegroup": 119
},
{
"id": "jvasp-7810",
"created_at": "2022-09-04T14:37:04.671184Z",
"updated_at": "2022-09-04T14:37:04.671203Z",
"structure_string": "Na4 Se4\n1.0\n2.329189 -4.034274 -0.000000\n2.329189 4.034274 -0.000000\n0.000000 -0.000000 10.750501\nNa Se\n4 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.333333 0.666667 0.250000 Na\n0.666667 0.333333 0.750000 Na\n0.333333 0.666667 0.634405 Se\n0.666667 0.333333 0.134405 Se\n0.666667 0.333333 0.365595 Se\n0.333333 0.666667 0.865595 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Se"
],
"chemical_system": "Na-Se",
"density": 3.3517106146089777,
"density_atomic": 0.03959689807536698,
"volume": 202.03602779119603,
"volume_molar": 15.208617474373181,
"formula_full": "Na4 Se4",
"formula_reduced": "NaSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0703008416666667,
"spacegroup": 194
},
{
"id": "jvasp-107994",
"created_at": "2022-09-04T14:36:11.370290Z",
"updated_at": "2022-09-04T14:36:11.370299Z",
"structure_string": "Yb1 Y1 Hg2\n1.0\n4.527240 -0.000000 2.613803\n1.509080 4.268323 2.613803\n-0.000000 -0.000000 5.227607\nYb Y Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Y\n0.250000 0.250000 0.250000 Hg\n0.750000 0.749999 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Y",
"Hg"
],
"chemical_system": "Hg-Y-Yb",
"density": 10.900623251279077,
"density_atomic": 0.03959736307285683,
"volume": 101.01682762663347,
"volume_molar": 15.208438877406087,
"formula_full": "Yb1 Y1 Hg2",
"formula_reduced": "YbYHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}