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=updated_at&page=557",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=555",
"results": [
{
"id": "jvasp-93948",
"created_at": "2022-09-04T14:35:59.094116Z",
"updated_at": "2022-09-04T14:35:59.094128Z",
"structure_string": "La1 Al3 Pd2\n1.0\n5.545554 -0.000000 -0.000000\n-2.772778 4.802591 -0.000000\n-0.000000 -0.000000 4.253762\nLa Al Pd\n1 3 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.000000 0.500000 Al\n0.499999 0.500000 0.500000 Al\n-0.000000 0.500000 0.500000 Al\n0.666666 0.333333 0.000000 Pd\n0.333332 0.666667 0.000000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Al",
"Pd"
],
"chemical_system": "Al-La-Pd",
"density": 6.342088722375769,
"density_atomic": 0.05296116402732809,
"volume": 113.29056130458132,
"volume_molar": 11.370861782593298,
"formula_full": "La1 Al3 Pd2",
"formula_reduced": "LaAl3Pd2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.7578591333333335,
"spacegroup": 191
},
{
"id": "jvasp-86221",
"created_at": "2022-09-04T14:35:59.098753Z",
"updated_at": "2022-09-04T14:35:59.098785Z",
"structure_string": "Er4 Ru8\n1.0\n5.232791 0.000000 0.000000\n-2.616396 4.531730 0.000000\n0.000000 0.000000 8.859971\nEr Ru\n4 8\ndirect\n0.333332 0.666667 0.432931 Er\n0.666667 0.333333 0.567069 Er\n0.666667 0.333333 0.932930 Er\n0.333332 0.666667 0.067069 Er\n0.171030 0.342062 0.750000 Ru\n0.171030 0.828970 0.750000 Ru\n0.342061 0.171030 0.250000 Ru\n0.828969 0.657938 0.250000 Ru\n0.657938 0.828970 0.750000 Ru\n0.000000 0.000000 0.000000 Ru\n0.828969 0.171030 0.250000 Ru\n0.000000 0.000000 0.500000 Ru\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Er",
"Ru"
],
"chemical_system": "Er-Ru",
"density": 11.678177930089452,
"density_atomic": 0.05711517736076263,
"volume": 210.10177249740698,
"volume_molar": 10.543853732540681,
"formula_full": "Er4 Ru8",
"formula_reduced": "ErRu2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.9378470000000005,
"spacegroup": 194
},
{
"id": "jvasp-71005",
"created_at": "2022-09-04T14:35:59.101599Z",
"updated_at": "2022-09-04T14:35:59.101629Z",
"structure_string": "Be2 Tl1 Hg1\n1.0\n3.121954 -3.199368 0.000000\n3.121954 3.199368 0.000000\n0.000000 0.000000 3.445811\nBe Tl Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.499999 0.499999 0.000000 Be\n-0.000000 0.500000 0.500000 Tl\n0.500000 -0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Hg"
],
"chemical_system": "Be-Hg-Tl",
"density": 10.204105058452352,
"density_atomic": 0.05810959467905156,
"volume": 68.83544829546015,
"volume_molar": 10.363418972824077,
"formula_full": "Be2 Tl1 Hg1",
"formula_reduced": "Be2TlHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7404001125000002,
"spacegroup": 123
},
{
"id": "jvasp-67863",
"created_at": "2022-09-04T14:35:59.106438Z",
"updated_at": "2022-09-04T14:35:59.106465Z",
"structure_string": "Be1 Tl1 Se1\n1.0\n-1.659682 1.659682 6.227450\n1.659682 -1.659682 6.227450\n1.659682 1.659682 -6.227450\nBe Tl Se\n1 1 1\ndirect\n0.923645 0.923645 0.000000 Be\n0.662734 0.662734 0.000000 Tl\n0.413619 0.413619 0.000000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Se"
],
"chemical_system": "Be-Se-Tl",
"density": 7.075226227722728,
"density_atomic": 0.04372212346637081,
"volume": 68.61514862853063,
"volume_molar": 13.773669443644415,
"formula_full": "Be1 Tl1 Se1",
"formula_reduced": "BeTlSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7540773555555551,
"spacegroup": 107
},
{
"id": "jvasp-93523",
"created_at": "2022-09-04T14:35:59.108931Z",
"updated_at": "2022-09-04T14:35:59.108970Z",
"structure_string": "Ca3 Mg3\n1.0\n3.693247 0.000000 0.000000\n-1.846624 3.198446 0.000000\n0.000000 0.000000 16.533238\nCa Mg\n3 3\ndirect\n0.333334 0.666668 0.842938 Ca\n0.000000 0.000000 0.648773 Ca\n0.333334 0.666668 0.175137 Ca\n0.000000 0.000000 0.008810 Mg\n0.333334 0.666668 0.484546 Mg\n0.000000 0.000000 0.339797 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.6422386436466958,
"density_atomic": 0.03072175039053658,
"volume": 195.30137195074076,
"volume_molar": 19.60220587514128,
"formula_full": "Ca3 Mg3",
"formula_reduced": "CaMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.2931865,
"spacegroup": 156
},
{
"id": "jvasp-88753",
"created_at": "2022-09-04T14:35:59.109463Z",
"updated_at": "2022-09-04T14:35:59.109490Z",
"structure_string": "Tl4 Fe4 Br12\n1.0\n3.919334 0.000000 0.000000\n-0.000000 9.256743 0.000000\n0.000000 0.000000 15.148554\nTl Fe Br\n4 4 12\ndirect\n0.749999 0.559957 0.172078 Tl\n0.250000 0.440043 0.827922 Tl\n0.749999 0.059957 0.327922 Tl\n0.250000 0.940043 0.672078 Tl\n0.250000 0.155732 0.054699 Fe\n0.749999 0.844268 0.945301 Fe\n0.749999 0.344268 0.554699 Fe\n0.250000 0.655732 0.445301 Fe\n0.749999 0.725838 0.794603 Br\n0.749999 0.322679 0.997968 Br\n0.749999 0.225838 0.705396 Br\n0.250000 0.774162 0.294603 Br\n0.749999 0.973611 0.101248 Br\n0.250000 0.026388 0.898751 Br\n0.749999 0.473611 0.398752 Br\n0.250000 0.526388 0.601248 Br\n0.250000 0.177321 0.497968 Br\n0.749999 0.822679 0.502031 Br\n0.250000 0.677321 0.002031 Br\n0.250000 0.274162 0.205396 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tl",
"Fe",
"Br"
],
"chemical_system": "Br-Fe-Tl",
"density": 6.042067524721839,
"density_atomic": 0.03639052615669709,
"volume": 549.5935924058994,
"volume_molar": 16.548649871311966,
"formula_full": "Tl4 Fe4 Br12",
"formula_reduced": "TlFeBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.417070083,
"spacegroup": 62
},
{
"id": "jvasp-75848",
"created_at": "2022-09-04T14:35:59.109908Z",
"updated_at": "2022-09-04T14:35:59.109933Z",
"structure_string": "Re1 As1 Pt2\n1.0\n-0.000000 3.161083 3.161083\n3.161083 0.000000 3.161083\n3.161083 3.161083 0.000000\nRe As Pt\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Re\n0.499999 0.499999 0.499999 As\n0.000000 0.000000 0.000000 Pt\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Re",
"As",
"Pt"
],
"chemical_system": "As-Pt-Re",
"density": 17.11946605774572,
"density_atomic": 0.06331728700651268,
"volume": 63.17390066931593,
"volume_molar": 9.511053054721968,
"formula_full": "Re1 As1 Pt2",
"formula_reduced": "ReAsPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6896406374999993,
"spacegroup": 216
},
{
"id": "jvasp-86883",
"created_at": "2022-09-04T14:35:59.114530Z",
"updated_at": "2022-09-04T14:35:59.114557Z",
"structure_string": "Ce6 B2 C3 Br3\n1.0\n3.664744 0.000000 0.000000\n0.000000 7.863797 -3.395573\n0.000000 -0.172856 10.112589\nCe B C Br\n6 2 3 3\ndirect\n0.000000 0.288956 0.484175 Ce\n0.499999 0.939079 0.157961 Ce\n0.499999 0.368685 0.219071 Ce\n0.000000 0.711044 0.515825 Ce\n0.499999 0.060921 0.842039 Ce\n0.499999 0.631315 0.780929 Ce\n0.000000 0.102352 0.064219 B\n0.000000 0.897648 0.935781 B\n0.000000 0.164391 0.229430 C\n0.000000 0.835609 0.770571 C\n0.499999 0.500000 0.500000 C\n0.000000 0.352839 0.814840 Br\n0.499999 -0.000000 0.500000 Br\n0.000000 0.647161 0.185161 Br\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ce",
"B",
"C",
"Br"
],
"chemical_system": "B-Br-C-Ce",
"density": 6.532720678940343,
"density_atomic": 0.04839573243244957,
"volume": 289.28170514912864,
"volume_molar": 12.443536769291926,
"formula_full": "Ce6 B2 C3 Br3",
"formula_reduced": "Ce6B2(CBr)3",
"formula_anonymous": "A2B3C3D6",
"energy_above_hull": 3.4562064629761906,
"spacegroup": 10
},
{
"id": "jvasp-74294",
"created_at": "2022-09-04T14:35:59.118863Z",
"updated_at": "2022-09-04T14:35:59.118898Z",
"structure_string": "Hf1 Be1 Tl1\n1.0\n1.572119 -2.722988 0.000000\n1.572119 2.722988 -0.000000\n0.000000 -0.000000 6.851584\nHf Be Tl\n1 1 1\ndirect\n0.333333 0.666668 0.306739 Hf\n0.000000 0.000000 -0.001127 Be\n0.666668 0.333333 0.694388 Tl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Tl"
],
"chemical_system": "Be-Hf-Tl",
"density": 11.093182198729368,
"density_atomic": 0.05114098972936244,
"volume": 58.66135981872794,
"volume_molar": 11.77556553337959,
"formula_full": "Hf1 Be1 Tl1",
"formula_reduced": "HfBeTl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1463672333333337,
"spacegroup": 156
},
{
"id": "jvasp-105634",
"created_at": "2022-09-04T14:35:59.121037Z",
"updated_at": "2022-09-04T14:35:59.121046Z",
"structure_string": "K2 Ir1 Au1 F6\n1.0\n5.399761 -0.000000 3.117553\n1.799921 5.090943 3.117553\n-0.000000 0.000000 6.235107\nK Ir Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Au\n0.768485 0.231515 0.231514 F\n0.231515 0.231515 0.768486 F\n0.231515 0.768485 0.768485 F\n0.231515 0.768485 0.231514 F\n0.768485 0.231515 0.768485 F\n0.768485 0.768485 0.231514 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ir",
"Au",
"F"
],
"chemical_system": "Au-F-Ir-K",
"density": 5.632296006177915,
"density_atomic": 0.05834226920203655,
"volume": 171.40231493859912,
"volume_molar": 10.322088671500946,
"formula_full": "K2 Ir1 Au1 F6",
"formula_reduced": "K2IrAuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0959876365,
"spacegroup": 225
},
{
"id": "jvasp-106011",
"created_at": "2022-09-04T14:35:59.121026Z",
"updated_at": "2022-09-04T14:35:59.121047Z",
"structure_string": "Ni6 Sb1 Te2\n1.0\n3.748217 -0.020634 -9.235952\n-0.161905 3.744776 -9.235952\n0.019871 0.020634 9.967525\nNi Sb Te\n6 1 2\ndirect\n0.905656 0.405657 0.500001 Ni\n0.405655 0.905657 0.500000 Ni\n0.092835 0.592836 0.499999 Ni\n0.592836 0.092836 0.500000 Ni\n0.998762 0.998765 0.000002 Ni\n0.689490 0.689492 0.000001 Ni\n0.499754 0.499756 0.000001 Sb\n0.821448 0.821450 0.000002 Te\n0.183761 0.183761 0.000000 Te\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ni",
"Sb",
"Te"
],
"chemical_system": "Ni-Sb-Te",
"density": 8.567955398889243,
"density_atomic": 0.06369001623025435,
"volume": 141.30943172416363,
"volume_molar": 9.4553920950947,
"formula_full": "Ni6 Sb1 Te2",
"formula_reduced": "Ni6SbTe2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.2556828925925925,
"spacegroup": 107
},
{
"id": "jvasp-86255",
"created_at": "2022-09-04T14:35:59.124072Z",
"updated_at": "2022-09-04T14:35:59.124100Z",
"structure_string": "Bi8 Pd8\n1.0\n5.746225 0.027192 -0.000000\n-1.050068 5.649532 -0.000000\n0.000000 0.000000 10.837616\nBi Pd\n8 8\ndirect\n0.849385 0.394490 0.279321 Bi\n0.122406 0.122406 0.993467 Bi\n0.394490 0.849385 0.279321 Bi\n0.605510 0.150615 0.779321 Bi\n0.365424 0.365423 0.497509 Bi\n0.634577 0.634576 0.997509 Bi\n0.150615 0.605510 0.779321 Bi\n0.877594 0.877594 0.493467 Bi\n0.087414 0.087414 0.722306 Pd\n0.327573 0.327573 0.228787 Pd\n0.623726 0.132769 0.055645 Pd\n0.672427 0.672426 0.728787 Pd\n0.867231 0.376274 0.555645 Pd\n0.376274 0.867230 0.555645 Pd\n0.132769 0.623726 0.055645 Pd\n0.912586 0.912585 0.222306 Pd\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Bi",
"Pd"
],
"chemical_system": "Bi-Pd",
"density": 11.898457033625409,
"density_atomic": 0.04543696400389246,
"volume": 352.13620343624467,
"volume_molar": 13.253836148656632,
"formula_full": "Bi8 Pd8",
"formula_reduced": "BiPd",
"formula_anonymous": "AB",
"energy_above_hull": 0.7130650000000002,
"spacegroup": 36
}
]
}