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=596",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=594",
"results": [
{
"id": "jvasp-70534",
"created_at": "2022-09-04T14:36:00.486085Z",
"updated_at": "2022-09-04T14:36:00.486115Z",
"structure_string": "Ti1 Be2 Ge1\n1.0\n3.184588 0.000000 0.000000\n0.000000 3.184588 -0.000000\n0.000000 0.000000 5.132768\nTi Be Ge\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ti\n-0.000000 0.000000 0.749699 Be\n-0.000000 0.000000 0.250302 Be\n0.500000 0.500000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Ge"
],
"chemical_system": "Be-Ge-Ti",
"density": 4.419153270674022,
"density_atomic": 0.07684256410038712,
"volume": 52.05448369440666,
"volume_molar": 7.836985699921044,
"formula_full": "Ti1 Be2 Ge1",
"formula_reduced": "TiBe2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1107016208333333,
"spacegroup": 123
},
{
"id": "jvasp-71447",
"created_at": "2022-09-04T14:36:00.486746Z",
"updated_at": "2022-09-04T14:36:00.486780Z",
"structure_string": "Be1 Sn2 Os1\n1.0\n3.100403 0.000000 0.000000\n0.000000 3.100403 0.000000\n-0.000000 0.000000 8.117942\nBe Sn Os\n1 2 1\ndirect\n0.000000 0.000000 0.579575 Be\n0.000000 0.000000 0.916538 Sn\n0.499999 0.499999 0.324951 Sn\n0.499999 0.499999 0.678937 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Sn",
"Os"
],
"chemical_system": "Be-Os-Sn",
"density": 9.292069235387359,
"density_atomic": 0.05125989949503454,
"volume": 78.03370742830803,
"volume_molar": 11.748249253948215,
"formula_full": "Be1 Sn2 Os1",
"formula_reduced": "BeSn2Os",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.195203625,
"spacegroup": 99
},
{
"id": "jvasp-54622",
"created_at": "2022-09-04T14:36:00.488856Z",
"updated_at": "2022-09-04T14:36:00.488883Z",
"structure_string": "Ga1 Fe2 Ni1\n1.0\n3.515995 -0.000003 2.029954\n1.171995 3.314915 2.029955\n-0.000006 -0.000004 4.059918\nGa Fe Ni\n1 2 1\ndirect\n0.000000 -0.000000 0.000000 Ga\n0.250000 0.250000 0.249998 Fe\n0.750002 0.750000 0.749999 Fe\n0.500001 0.500000 0.499999 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Fe",
"Ni"
],
"chemical_system": "Fe-Ga-Ni",
"density": 8.425860213091774,
"density_atomic": 0.08453205119873108,
"volume": 47.31932968947102,
"volume_molar": 7.124091601471039,
"formula_full": "Ga1 Fe2 Ni1",
"formula_reduced": "GaFe2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.86201143125,
"spacegroup": 225
},
{
"id": "jvasp-85283",
"created_at": "2022-09-04T14:36:00.490099Z",
"updated_at": "2022-09-04T14:36:00.490134Z",
"structure_string": "I8 Cl8\n1.0\n4.327785 0.000000 0.000000\n0.000000 15.209240 -1.534987\n0.000000 1.952732 8.575751\nI Cl\n8 8\ndirect\n0.512219 0.764401 0.178638 I\n0.012220 0.735599 0.821362 I\n0.753238 0.410873 0.745817 I\n0.746760 0.910873 0.745817 I\n0.253239 0.089127 0.254183 I\n-0.012220 0.264401 0.178638 I\n0.246761 0.589127 0.254183 I\n0.487780 0.235599 0.821362 I\n0.255969 0.585243 0.931012 Cl\n0.744029 0.414757 0.068987 Cl\n0.238807 0.596323 0.527635 Cl\n0.755969 0.914757 0.068987 Cl\n0.261193 0.096323 0.527636 Cl\n0.244030 0.085243 0.931013 Cl\n0.761192 0.403677 0.472364 Cl\n-0.261193 0.903677 0.472364 Cl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"I",
"Cl"
],
"chemical_system": "Cl-I",
"density": 3.735067606538113,
"density_atomic": 0.027708121939153087,
"volume": 577.4480145257022,
"volume_molar": 21.734207656601896,
"formula_full": "I8 Cl8",
"formula_reduced": "ICl",
"formula_anonymous": "AB",
"energy_above_hull": 0.0297980225,
"spacegroup": 14
},
{
"id": "jvasp-69012",
"created_at": "2022-09-04T14:36:00.490930Z",
"updated_at": "2022-09-04T14:36:00.490955Z",
"structure_string": "Ba1 Sr1 Mg2\n1.0\n4.247122 -0.000000 0.000000\n0.000000 4.247122 -0.000000\n0.000000 -0.000000 8.471703\nBa Sr Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.765699 Mg\n0.000000 0.000000 0.234301 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Mg"
],
"chemical_system": "Ba-Mg-Sr",
"density": 2.9726017904142235,
"density_atomic": 0.02617578992530086,
"volume": 152.81296233714423,
"volume_molar": 23.00652922867153,
"formula_full": "Ba1 Sr1 Mg2",
"formula_reduced": "BaSrMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.250000000000087e-05,
"spacegroup": 123
},
{
"id": "jvasp-66048",
"created_at": "2022-09-04T14:36:00.492082Z",
"updated_at": "2022-09-04T14:36:00.492109Z",
"structure_string": "Ba1 Nb1 Bi1\n1.0\n0.000000 3.908023 3.908023\n3.908023 0.000000 3.908023\n3.908023 3.908023 -0.000000\nBa Nb Bi\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"Bi"
],
"chemical_system": "Ba-Bi-Nb",
"density": 6.10975402353362,
"density_atomic": 0.02513158768703315,
"volume": 119.37168623643602,
"volume_molar": 23.962436575812415,
"formula_full": "Ba1 Nb1 Bi1",
"formula_reduced": "BaNbBi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.17222989,
"spacegroup": 216
},
{
"id": "jvasp-92767",
"created_at": "2022-09-04T14:36:00.492928Z",
"updated_at": "2022-09-04T14:36:00.492955Z",
"structure_string": "Pd3 N2\n1.0\n2.728765 -0.828308 0.730853\n-2.081718 3.605642 0.000000\n1.151811 0.664998 8.304885\nPd N\n3 2\ndirect\n0.368989 0.184494 0.315433 Pd\n0.631011 0.815505 0.684567 Pd\n0.000000 0.000000 0.000000 Pd\n0.550552 0.275276 0.724777 N\n0.449448 0.724723 0.275224 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Pd",
"N"
],
"chemical_system": "N-Pd",
"density": 9.103611231613717,
"density_atomic": 0.07893381451047002,
"volume": 63.34420844867171,
"volume_molar": 7.629354792173645,
"formula_full": "Pd3 N2",
"formula_reduced": "Pd3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.37717872,
"spacegroup": 123
},
{
"id": "jvasp-63821",
"created_at": "2022-09-04T14:36:00.500544Z",
"updated_at": "2022-09-04T14:36:00.500571Z",
"structure_string": "Na4 Bi2 Au2\n1.0\n3.807879 -4.730885 0.000000\n3.807879 4.730885 0.000000\n-0.000000 0.000000 5.965186\nNa Bi Au\n4 2 2\ndirect\n0.863084 0.503513 0.750001 Na\n0.136916 0.496487 0.250000 Na\n0.503513 0.863084 0.750001 Na\n0.496487 0.136916 0.250000 Na\n0.314059 0.314059 0.750001 Bi\n0.685942 0.685942 0.250000 Bi\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Bi",
"Au"
],
"chemical_system": "Au-Bi-Na",
"density": 6.983407614173222,
"density_atomic": 0.03722292270803063,
"volume": 214.9213285251791,
"volume_molar": 16.178581158810395,
"formula_full": "Na4 Bi2 Au2",
"formula_reduced": "Na2BiAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-67646",
"created_at": "2022-09-04T14:36:00.507458Z",
"updated_at": "2022-09-04T14:36:00.507490Z",
"structure_string": "Be1 Co2 Br1\n1.0\n3.064912 0.000000 0.000000\n0.000000 3.064912 0.000000\n0.000000 0.000000 6.192723\nBe Co Br\n1 2 1\ndirect\n0.000000 0.000000 0.439855 Be\n0.000000 0.000000 0.099047 Co\n0.500000 0.500000 0.275244 Co\n0.500000 0.500000 0.685852 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"Br"
],
"chemical_system": "Be-Br-Co",
"density": 5.902627227014141,
"density_atomic": 0.0687610211699499,
"volume": 58.17249267013633,
"volume_molar": 8.758073480490731,
"formula_full": "Be1 Co2 Br1",
"formula_reduced": "BeCo2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.17838800125,
"spacegroup": 99
},
{
"id": "jvasp-86960",
"created_at": "2022-09-04T14:36:00.510222Z",
"updated_at": "2022-09-04T14:36:00.510243Z",
"structure_string": "La2 Zn2 P2 O2\n1.0\n4.050547 0.000000 0.000000\n0.000000 4.050547 -0.000000\n0.000000 0.000000 8.913751\nLa Zn P O\n2 2 2 2\ndirect\n0.750001 0.750001 0.860587 La\n0.250000 0.250000 0.139413 La\n0.750001 0.250000 0.500000 Zn\n0.250000 0.750001 0.500000 Zn\n0.250000 0.250000 0.666025 P\n0.750001 0.750001 0.333975 P\n0.250000 0.750001 0.000000 O\n0.750001 0.250000 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"La",
"Zn",
"P",
"O"
],
"chemical_system": "La-O-P-Zn",
"density": 5.706401919677996,
"density_atomic": 0.054701865478697057,
"volume": 146.2472976011302,
"volume_molar": 11.009022649045205,
"formula_full": "La2 Zn2 P2 O2",
"formula_reduced": "LaZnPO",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.9147561,
"spacegroup": 129
},
{
"id": "jvasp-71479",
"created_at": "2022-09-04T14:36:00.519458Z",
"updated_at": "2022-09-04T14:36:00.519493Z",
"structure_string": "Be1 Cd1 Pb2\n1.0\n3.404276 0.000000 -0.000000\n0.000000 3.404276 0.000000\n0.000000 0.000000 8.259510\nBe Cd Pb\n1 1 2\ndirect\n0.000000 0.000000 0.534777 Be\n0.500001 0.500001 0.691457 Cd\n0.000000 0.000000 0.957598 Pb\n0.500001 0.500001 0.316168 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Pb"
],
"chemical_system": "Be-Cd-Pb",
"density": 9.295372262566133,
"density_atomic": 0.04178844221870024,
"volume": 95.72024673870251,
"volume_molar": 14.411019986059937,
"formula_full": "Be1 Cd1 Pb2",
"formula_reduced": "BeCdPb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1973193725,
"spacegroup": 99
},
{
"id": "jvasp-97614",
"created_at": "2022-09-04T14:36:00.524158Z",
"updated_at": "2022-09-04T14:36:00.524184Z",
"structure_string": "La10 Sn6 Cl2\n1.0\n9.640619 0.000000 0.000000\n-4.820310 8.349021 -0.000000\n-0.000000 0.000000 6.891458\nLa Sn Cl\n10 6 2\ndirect\n0.666667 0.333333 0.000000 La\n-0.000000 0.737983 0.750000 La\n-0.000000 0.262017 0.250000 La\n0.737983 0.737983 0.250000 La\n0.737983 -0.000000 0.750000 La\n0.333333 0.666667 0.000000 La\n0.666667 0.333333 0.500000 La\n0.333333 0.666667 0.500000 La\n0.262017 -0.000000 0.250000 La\n0.262017 0.262017 0.750000 La\n0.386513 0.386513 0.250000 Sn\n-0.000000 0.386513 0.750000 Sn\n0.386513 -0.000000 0.750000 Sn\n0.613487 -0.000000 0.250000 Sn\n-0.000000 0.613487 0.250000 Sn\n0.613487 0.613487 0.750000 Sn\n0.000000 0.000000 0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"La",
"Sn",
"Cl"
],
"chemical_system": "Cl-La-Sn",
"density": 6.502815893973841,
"density_atomic": 0.03245046453803518,
"volume": 554.6915970617988,
"volume_molar": 18.55794931052975,
"formula_full": "La10 Sn6 Cl2",
"formula_reduced": "La5Sn3Cl",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.289882685277778,
"spacegroup": 193
}
]
}