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=spacegroup&page=4005",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=4003",
"results": [
{
"id": "jvasp-1297",
"created_at": "2022-09-04T14:35:53.575197Z",
"updated_at": "2022-09-04T14:35:53.575222Z",
"structure_string": "Na2 Se1\n1.0\n4.159084 0.000000 2.401248\n1.386361 3.921222 2.401248\n0.000000 0.000000 4.802497\nNa Se\n2 1\ndirect\n0.749999 0.750000 0.750002 Na\n0.250000 0.250000 0.250001 Na\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Na",
"Se"
],
"chemical_system": "Na-Se",
"density": 2.6488829655834936,
"density_atomic": 0.0383031975262868,
"volume": 78.32244287023697,
"volume_molar": 15.722292521054184,
"formula_full": "Na2 Se1",
"formula_reduced": "Na2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105686",
"created_at": "2022-09-04T14:35:53.674833Z",
"updated_at": "2022-09-04T14:35:53.674850Z",
"structure_string": "Rb3 Er1 Cl6\n1.0\n6.885521 0.000000 3.975357\n2.295173 6.491732 3.975357\n-0.000000 0.000000 7.950715\nRb Er Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Er\n0.769535 0.230464 0.230465 Cl\n0.230464 0.230464 0.769535 Cl\n0.230464 0.769535 0.769536 Cl\n0.230464 0.769535 0.230465 Cl\n0.769535 0.230464 0.769536 Cl\n0.769535 0.769535 0.230465 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Er",
"Cl"
],
"chemical_system": "Cl-Er-Rb",
"density": 2.9734614819253053,
"density_atomic": 0.028138207265309436,
"volume": 355.3886680026212,
"volume_molar": 21.40200583220693,
"formula_full": "Rb3 Er1 Cl6",
"formula_reduced": "Rb3ErCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-72866",
"created_at": "2022-09-04T14:35:53.707717Z",
"updated_at": "2022-09-04T14:35:53.707742Z",
"structure_string": "Ti1 Be2 Cd1\n1.0\n-2.109668 2.109668 2.983426\n2.109668 -2.109668 2.983426\n2.109668 2.109668 -2.983426\nTi Be Cd\n1 2 1\ndirect\n0.750001 0.250000 0.500000 Ti\n0.000000 0.000000 0.000000 Be\n0.500001 0.500001 0.000000 Be\n0.250000 0.750001 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Cd"
],
"chemical_system": "Be-Cd-Ti",
"density": 5.574458752729248,
"density_atomic": 0.07531066785261624,
"volume": 53.11332529712844,
"volume_molar": 7.996398029274408,
"formula_full": "Ti1 Be2 Cd1",
"formula_reduced": "TiBe2Cd",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4419900708333335,
"spacegroup": 225
},
{
"id": "jvasp-1357",
"created_at": "2022-09-04T14:35:53.714481Z",
"updated_at": "2022-09-04T14:35:53.714507Z",
"structure_string": "Sr1 Te1\n1.0\n4.087701 -0.000000 2.360036\n1.362567 3.853921 2.360036\n-0.000000 -0.000000 4.720070\nSr Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500001 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Te"
],
"chemical_system": "Sr-Te",
"density": 4.806194652253314,
"density_atomic": 0.026896738895856327,
"volume": 74.35845690230191,
"volume_molar": 22.38985470810278,
"formula_full": "Sr1 Te1",
"formula_reduced": "SrTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-37043",
"created_at": "2022-09-04T14:35:53.821671Z",
"updated_at": "2022-09-04T14:35:53.821701Z",
"structure_string": "Ti3 Ga1\n1.0\n3.188414 3.188414 0.000000\n3.188414 0.000000 -3.188414\n0.000000 3.188414 -3.188414\nTi Ga\n3 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Ga"
],
"chemical_system": "Ga-Ti",
"density": 5.464302052972613,
"density_atomic": 0.06170294224659192,
"volume": 64.82673036910059,
"volume_molar": 9.759892382332263,
"formula_full": "Ti3 Ga1",
"formula_reduced": "Ti3Ga",
"formula_anonymous": "AB3",
"energy_above_hull": 2.7124218312500004,
"spacegroup": 225
},
{
"id": "jvasp-37036",
"created_at": "2022-09-04T14:35:53.857745Z",
"updated_at": "2022-09-04T14:35:53.857766Z",
"structure_string": "Ti3 In1\n1.0\n3.303988 3.303988 0.000000\n3.303988 0.000000 -3.303988\n-0.000000 3.303988 -3.303988\nTi In\n3 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"In"
],
"chemical_system": "In-Ti",
"density": 5.9487834445562875,
"density_atomic": 0.05545166766569916,
"volume": 72.13489094890265,
"volume_molar": 10.860161675038544,
"formula_full": "Ti3 In1",
"formula_reduced": "Ti3In",
"formula_anonymous": "AB3",
"energy_above_hull": 2.7392587425,
"spacegroup": 225
},
{
"id": "jvasp-3879",
"created_at": "2022-09-04T14:35:56.351628Z",
"updated_at": "2022-09-04T14:35:56.351648Z",
"structure_string": "Tl2 Sn1 Cl6\n1.0\n6.104373 0.000000 3.524361\n2.034791 5.755258 3.524361\n0.000000 0.000000 7.048723\nTl Sn Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Tl\n0.749999 0.750000 0.750000 Tl\n0.000000 0.000000 0.000000 Sn\n0.247411 0.752589 0.752589 Cl\n0.247411 0.752589 0.247411 Cl\n0.752589 0.247411 0.752589 Cl\n0.752589 0.247411 0.247411 Cl\n0.752588 0.752589 0.247411 Cl\n0.247411 0.247411 0.752589 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"Cl"
],
"chemical_system": "Cl-Sn-Tl",
"density": 4.963393480054058,
"density_atomic": 0.03634345451187174,
"volume": 247.637439007349,
"volume_molar": 16.570083501646337,
"formula_full": "Tl2 Sn1 Cl6",
"formula_reduced": "Tl2SnCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-89936",
"created_at": "2022-09-04T14:35:53.877679Z",
"updated_at": "2022-09-04T14:35:53.877705Z",
"structure_string": "Mn1 N2 Cl6\n1.0\n-4.600764 -4.600764 -0.000000\n-4.600764 -0.000000 -4.600764\n0.000000 -4.600764 -4.600764\nMn N Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 N\n0.749999 0.749999 0.749999 N\n0.756606 0.243393 0.243393 Cl\n0.756606 0.243393 0.756606 Cl\n0.756606 0.756606 0.243393 Cl\n0.243393 0.756606 0.756606 Cl\n0.243393 0.756606 0.243393 Cl\n0.243393 0.243393 0.756606 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mn",
"N",
"Cl"
],
"chemical_system": "Cl-Mn-N",
"density": 2.520784262708854,
"density_atomic": 0.04620858234027003,
"volume": 194.76901355090146,
"volume_molar": 13.032515725443067,
"formula_full": "Mn1 N2 Cl6",
"formula_reduced": "Mn(NCl3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.078867571819923,
"spacegroup": 225
},
{
"id": "jvasp-41448",
"created_at": "2022-09-04T14:35:53.889409Z",
"updated_at": "2022-09-04T14:35:53.889429Z",
"structure_string": "Tm1 U1 Tc2\n1.0\n0.000040 3.372378 3.372378\n3.372378 0.000040 3.372378\n3.372378 3.372378 0.000040\nTm U Tc\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Tm\n0.749997 0.749997 0.749997 U\n0.500017 0.500017 0.500017 Tc\n0.999987 0.999987 0.999987 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"U",
"Tc"
],
"chemical_system": "Tc-Tm-U",
"density": 13.052954847802242,
"density_atomic": 0.05214695814533684,
"volume": 76.70629586584417,
"volume_molar": 11.548402772057992,
"formula_full": "Tm1 U1 Tc2",
"formula_reduced": "TmUTc2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.5314308125,
"spacegroup": 225
},
{
"id": "jvasp-23440",
"created_at": "2022-09-04T14:35:53.893002Z",
"updated_at": "2022-09-04T14:35:53.893023Z",
"structure_string": "Sr2 As1 Au1\n1.0\n-0.000000 3.802094 3.802094\n3.802094 -0.000000 3.802094\n3.802094 3.802094 0.000000\nSr As Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499998 0.499998 0.499998 Sr\n0.250000 0.250000 0.250000 As\n0.749999 0.749999 0.749999 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"As",
"Au"
],
"chemical_system": "As-Au-Sr",
"density": 6.754334792808902,
"density_atomic": 0.036388273158891274,
"volume": 109.92552415262449,
"volume_molar": 16.54967448909711,
"formula_full": "Sr2 As1 Au1",
"formula_reduced": "Sr2AsAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1289854849999999,
"spacegroup": 225
},
{
"id": "jvasp-18921",
"created_at": "2022-09-04T14:35:53.895878Z",
"updated_at": "2022-09-04T14:35:53.895907Z",
"structure_string": "Tb1 P1\n1.0\n3.486658 -0.000000 2.013024\n1.162220 3.287253 2.013024\n-0.000000 -0.000000 4.026046\nTb P\n1 1\ndirect\n0.500000 0.499999 0.500000 Tb\n0.000000 0.000000 0.000000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tb",
"P"
],
"chemical_system": "P-Tb",
"density": 6.83361988807614,
"density_atomic": 0.043341983484948124,
"volume": 46.14463481336897,
"volume_molar": 13.894474308245211,
"formula_full": "Tb1 P1",
"formula_reduced": "TbP",
"formula_anonymous": "AB",
"energy_above_hull": 0.61192695,
"spacegroup": 225
},
{
"id": "jvasp-14576",
"created_at": "2022-09-04T14:35:54.030594Z",
"updated_at": "2022-09-04T14:35:54.030620Z",
"structure_string": "Pr1 S1\n1.0\n3.556448 0.000000 2.053316\n1.185483 3.353052 2.053316\n0.000000 0.000000 4.106633\nPr S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500001 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"S"
],
"chemical_system": "Pr-S",
"density": 5.865214397779707,
"density_atomic": 0.04084015213181305,
"volume": 48.97141405215457,
"volume_molar": 14.745637431915842,
"formula_full": "Pr1 S1",
"formula_reduced": "PrS",
"formula_anonymous": "AB",
"energy_above_hull": 0.1138349250000003,
"spacegroup": 225
}
]
}