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=878",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=876",
"results": [
{
"id": "jvasp-68217",
"created_at": "2022-09-04T14:36:09.748252Z",
"updated_at": "2022-09-04T14:36:09.748274Z",
"structure_string": "Mg2 Be1 Fe1\n1.0\n-1.904266 1.904266 3.973774\n1.904266 -1.904266 3.973774\n1.904266 1.904266 -3.973774\nMg Be Fe\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.750001 0.500001 Mg\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Fe"
],
"chemical_system": "Be-Fe-Mg",
"density": 3.268895104688418,
"density_atomic": 0.06939714588809145,
"volume": 57.639258053210504,
"volume_molar": 8.677793132459932,
"formula_full": "Mg2 Be1 Fe1",
"formula_reduced": "Mg2BeFe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.972599925,
"spacegroup": 119
},
{
"id": "jvasp-69566",
"created_at": "2022-09-04T14:36:09.748555Z",
"updated_at": "2022-09-04T14:36:09.748563Z",
"structure_string": "Be2 Tc1 Ir1\n1.0\n-1.990197 1.990197 2.814696\n1.990197 -1.990197 2.814696\n1.990197 1.990197 -2.814696\nBe Tc Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500001 0.500001 0.000000 Be\n0.750001 0.250000 0.500001 Tc\n0.250000 0.750001 0.500001 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tc",
"Ir"
],
"chemical_system": "Be-Ir-Tc",
"density": 11.47774028684844,
"density_atomic": 0.08969668021325092,
"volume": 44.59473851752519,
"volume_molar": 6.71389481269826,
"formula_full": "Be2 Tc1 Ir1",
"formula_reduced": "Be2TcIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3768087,
"spacegroup": 225
},
{
"id": "jvasp-72010",
"created_at": "2022-09-04T14:36:09.749062Z",
"updated_at": "2022-09-04T14:36:09.749099Z",
"structure_string": "Sr1 Zr1 Be1\n1.0\n1.768339 -3.062852 0.000000\n1.768339 3.062852 -0.000000\n0.000000 -0.000000 7.043443\nSr Zr Be\n1 1 1\ndirect\n0.666667 0.333334 0.292971 Sr\n0.333334 0.666667 0.738068 Zr\n-0.000000 0.000000 0.968962 Be\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Zr",
"Be"
],
"chemical_system": "Be-Sr-Zr",
"density": 4.088538125548923,
"density_atomic": 0.039320109417305606,
"volume": 76.29683753320475,
"volume_molar": 15.315676505593673,
"formula_full": "Sr1 Zr1 Be1",
"formula_reduced": "SrZrBe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8480789700000004,
"spacegroup": 156
},
{
"id": "jvasp-75457",
"created_at": "2022-09-04T14:36:09.750544Z",
"updated_at": "2022-09-04T14:36:09.750565Z",
"structure_string": "Mn1 Sn1 As1\n1.0\n-0.000000 3.152449 3.152449\n3.152449 -0.000000 3.152449\n3.152449 3.152449 -0.000000\nMn Sn As\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Mn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mn",
"Sn",
"As"
],
"chemical_system": "As-Mn-Sn",
"density": 6.587535761742217,
"density_atomic": 0.04787921827597444,
"volume": 62.657664599035144,
"volume_molar": 12.577775863608618,
"formula_full": "Mn1 Sn1 As1",
"formula_reduced": "MnSnAs",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1304702304597707,
"spacegroup": 216
},
{
"id": "jvasp-97869",
"created_at": "2022-09-04T14:36:09.753324Z",
"updated_at": "2022-09-04T14:36:09.753349Z",
"structure_string": "Bi4 B12 O24\n1.0\n4.279900 -0.005041 0.000000\n-0.144957 7.278994 0.000000\n0.000000 0.000000 11.760028\nBi B O\n4 12 24\ndirect\n0.828061 0.627531 0.615674 Bi\n0.171938 0.872469 0.115674 Bi\n0.828062 0.127531 0.884326 Bi\n0.171938 0.372469 0.384326 Bi\n0.321333 0.792596 0.837165 B\n0.688726 0.068329 0.375651 B\n0.803256 0.629937 0.906900 B\n0.311273 0.431671 0.875651 B\n0.321333 0.292597 0.662835 B\n0.803257 0.129937 0.593101 B\n0.196743 0.870062 0.406900 B\n0.678666 0.707403 0.337165 B\n0.688726 0.568329 0.124349 B\n0.678667 0.207403 0.162835 B\n0.196743 0.370062 0.093101 B\n0.311273 0.931671 0.624349 B\n0.195339 0.819072 0.528092 O\n0.195339 0.319072 0.971908 O\n0.238114 0.940395 0.918233 O\n0.788286 0.179754 0.279004 O\n0.211714 0.820245 0.720997 O\n0.804660 0.680928 0.028092 O\n0.339738 0.728147 0.338576 O\n0.788285 0.679754 0.220996 O\n0.353631 0.543992 0.116503 O\n0.151194 0.615569 0.873966 O\n0.848805 0.884430 0.373966 O\n0.761885 0.059604 0.081767 O\n0.804661 0.180928 0.471908 O\n0.238114 0.440395 0.581767 O\n0.660261 0.271852 0.661424 O\n0.646368 0.956007 0.616503 O\n0.353631 0.043993 0.383498 O\n0.211714 0.320246 0.779004 O\n0.848805 0.384431 0.126034 O\n0.761885 0.559604 0.418233 O\n0.646369 0.456007 0.883498 O\n0.660261 0.771852 0.838576 O\n0.339738 0.228148 0.161424 O\n0.151195 0.115569 0.626034 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Bi",
"B",
"O"
],
"chemical_system": "B-Bi-O",
"density": 6.117354225965243,
"density_atomic": 0.10918345655720285,
"volume": 366.3558680159883,
"volume_molar": 5.5156165136106585,
"formula_full": "Bi4 B12 O24",
"formula_reduced": "Bi(BO2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.2172793049999995,
"spacegroup": 14
},
{
"id": "jvasp-64484",
"created_at": "2022-09-04T14:36:09.753950Z",
"updated_at": "2022-09-04T14:36:09.753982Z",
"structure_string": "Ba4 Hf1 Se1\n1.0\n-0.000000 4.967546 4.967546\n4.967546 0.000000 4.967546\n4.967546 4.967546 -0.000000\nBa Hf Se\n4 1 1\ndirect\n0.124193 0.625269 0.625269 Ba\n0.625269 0.625269 0.625269 Ba\n0.625269 0.124193 0.625269 Ba\n0.625269 0.625269 0.124193 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Se"
],
"chemical_system": "Ba-Hf-Se",
"density": 5.464327118580872,
"density_atomic": 0.02447347066516935,
"volume": 245.1634294983425,
"volume_molar": 24.606811360722585,
"formula_full": "Ba4 Hf1 Se1",
"formula_reduced": "Ba4HfSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1800917077777775,
"spacegroup": 216
},
{
"id": "jvasp-86994",
"created_at": "2022-09-04T14:36:09.757530Z",
"updated_at": "2022-09-04T14:36:09.757550Z",
"structure_string": "K2 Zn2 Sb2\n1.0\n4.576070 0.000000 0.000000\n-2.288035 3.962994 -0.000000\n0.000000 0.000000 10.383511\nK Zn Sb\n2 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.333332 0.666666 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.333332 0.666666 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Zn",
"Sb"
],
"chemical_system": "K-Sb-Zn",
"density": 3.9906219435613113,
"density_atomic": 0.0318633144149101,
"volume": 188.30432772531543,
"volume_molar": 18.899919454650338,
"formula_full": "K2 Zn2 Sb2",
"formula_reduced": "KZnSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-65702",
"created_at": "2022-09-04T14:36:09.764882Z",
"updated_at": "2022-09-04T14:36:09.764900Z",
"structure_string": "K2 Ba1 Pb1\n1.0\n4.158195 0.000000 0.000000\n-0.000000 5.866564 0.000000\n0.000000 0.000000 7.581774\nK Ba Pb\n2 1 1\ndirect\n0.000000 0.000000 0.789846 K\n0.000000 0.000000 0.210154 K\n0.500001 0.500000 0.500000 Ba\n0.500001 0.500000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Pb"
],
"chemical_system": "Ba-K-Pb",
"density": 3.7952998433199223,
"density_atomic": 0.021627209733052054,
"volume": 184.9521990757296,
"volume_molar": 27.84520441763964,
"formula_full": "K2 Ba1 Pb1",
"formula_reduced": "K2BaPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 47
},
{
"id": "jvasp-63373",
"created_at": "2022-09-04T14:36:09.765146Z",
"updated_at": "2022-09-04T14:36:09.765173Z",
"structure_string": "Ni1 As2 O6\n1.0\n2.425685 -4.201410 0.000000\n2.425685 4.201410 0.000000\n0.000000 -0.000000 4.420858\nNi As O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.666668 0.333334 0.500000 As\n0.333334 0.666668 0.500000 As\n0.359611 0.000000 0.731382 O\n0.640390 0.640390 0.731382 O\n0.000000 0.359611 0.731382 O\n0.359612 0.359612 0.268618 O\n0.640390 0.000001 0.268618 O\n0.000001 0.640390 0.268618 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ni",
"As",
"O"
],
"chemical_system": "As-Ni-O",
"density": 5.611996995156412,
"density_atomic": 0.09987952791680173,
"volume": 90.10855565413641,
"volume_molar": 6.029404509216704,
"formula_full": "Ni1 As2 O6",
"formula_reduced": "Ni(AsO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.520679655555556,
"spacegroup": 162
},
{
"id": "jvasp-68978",
"created_at": "2022-09-04T14:36:09.776328Z",
"updated_at": "2022-09-04T14:36:09.776360Z",
"structure_string": "Ba2 Zr1 Cl1\n1.0\n0.000000 4.228027 4.228027\n4.228027 0.000000 4.228027\n4.228027 4.228027 0.000000\nBa Zr Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Cl"
],
"chemical_system": "Ba-Cl-Zr",
"density": 4.4086797546801915,
"density_atomic": 0.026461638954001946,
"volume": 151.1622166319013,
"volume_molar": 22.75800365377307,
"formula_full": "Ba2 Zr1 Cl1",
"formula_reduced": "Ba2ZrCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.977777626875,
"spacegroup": 225
},
{
"id": "jvasp-94153",
"created_at": "2022-09-04T14:36:09.778846Z",
"updated_at": "2022-09-04T14:36:09.778874Z",
"structure_string": "Mg6 Cu1 Mo1\n1.0\n6.077965 0.025174 0.000000\n-3.017181 5.225911 0.000000\n0.000000 0.000000 4.749905\nMg Cu Mo\n6 1 1\ndirect\n0.657335 0.330590 0.250000 Mg\n0.657335 0.826743 0.250000 Mg\n0.324631 0.154402 0.749999 Mg\n0.324631 0.670230 0.749999 Mg\n0.860004 0.180002 0.749999 Mg\n0.851836 0.675919 0.749999 Mg\n0.168455 0.334228 0.250000 Cu\n0.155769 0.827883 0.250000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"Mo"
],
"chemical_system": "Cu-Mg-Mo",
"density": 3.352403201241882,
"density_atomic": 0.05289901340022793,
"volume": 151.2315539700695,
"volume_molar": 11.384221317016193,
"formula_full": "Mg6 Cu1 Mo1",
"formula_reduced": "Mg6CuMo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0942038312499999,
"spacegroup": 38
},
{
"id": "jvasp-66351",
"created_at": "2022-09-04T14:36:09.779574Z",
"updated_at": "2022-09-04T14:36:09.779599Z",
"structure_string": "Ba4 Si1 Tc1\n1.0\n-0.000000 4.752417 4.752417\n4.752417 -0.000000 4.752417\n4.752417 4.752417 -0.000000\nBa Si Tc\n4 1 1\ndirect\n0.124766 0.625079 0.625079 Ba\n0.625079 0.625079 0.625079 Ba\n0.625079 0.124766 0.625079 Ba\n0.625079 0.625079 0.124766 Ba\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Tc"
],
"chemical_system": "Ba-Si-Tc",
"density": 5.224351105375139,
"density_atomic": 0.0279497310060904,
"volume": 214.67111789707624,
"volume_molar": 21.546328151379143,
"formula_full": "Ba4 Si1 Tc1",
"formula_reduced": "Ba4SiTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6075556633333332,
"spacegroup": 216
}
]
}