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=1300",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=1298",
"results": [
{
"id": "jvasp-99541",
"created_at": "2022-09-04T14:36:32.527928Z",
"updated_at": "2022-09-04T14:36:32.527956Z",
"structure_string": "Nd1 Tm1\n1.0\n3.600476 -0.000000 0.000000\n-1.800238 3.118104 0.000000\n-0.000000 -0.000000 5.709785\nNd Tm\n1 1\ndirect\n0.666667 0.333333 0.500000 Nd\n0.333333 0.666666 -0.000000 Tm\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nd",
"Tm"
],
"chemical_system": "Nd-Tm",
"density": 8.112740591585151,
"density_atomic": 0.031200368513799353,
"volume": 64.10180697434508,
"volume_molar": 19.30150522849279,
"formula_full": "Nd1 Tm1",
"formula_reduced": "NdTm",
"formula_anonymous": "AB",
"energy_above_hull": 1.0138928750000002,
"spacegroup": 187
},
{
"id": "jvasp-9314",
"created_at": "2022-09-04T14:36:32.532588Z",
"updated_at": "2022-09-04T14:36:32.532617Z",
"structure_string": "Ba1 Sb4 O8\n1.0\n3.124490 -5.411777 0.000000\n3.124490 5.411777 0.000000\n-0.000000 0.000000 7.110093\nBa Sb O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.278474 Sb\n0.666667 0.333333 0.278474 Sb\n0.333333 0.666667 0.721526 Sb\n0.666667 0.333333 0.721526 Sb\n0.660971 0.660971 0.268240 O\n-0.000000 0.339029 0.268240 O\n0.339029 -0.000000 0.268240 O\n0.339029 0.339029 0.731760 O\n0.660971 -0.000000 0.731760 O\n-0.000000 0.660971 0.731760 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"O"
],
"chemical_system": "Ba-O-Sb",
"density": 5.195791995981365,
"density_atomic": 0.05406535309905586,
"volume": 240.44973823036068,
"volume_molar": 11.138632071756811,
"formula_full": "Ba1 Sb4 O8",
"formula_reduced": "Ba(SbO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.294659874615385,
"spacegroup": 162
},
{
"id": "jvasp-51211",
"created_at": "2022-09-04T14:36:32.537382Z",
"updated_at": "2022-09-04T14:36:32.537419Z",
"structure_string": "Nb1 Cr1 W1\n1.0\n0.000017 3.020640 3.020631\n3.020650 0.000011 3.020637\n3.020645 3.020642 0.000015\nNb Cr W\n1 1 1\ndirect\n0.499998 0.500003 0.500001 Nb\n0.000000 1.000000 0.999998 Cr\n0.250001 0.250002 0.250000 W\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Nb",
"Cr",
"W"
],
"chemical_system": "Cr-Nb-W",
"density": 9.903318652656534,
"density_atomic": 0.054424830284824664,
"volume": 55.12189903578796,
"volume_molar": 11.065061165067448,
"formula_full": "Nb1 Cr1 W1",
"formula_reduced": "NbCrW",
"formula_anonymous": "ABC",
"energy_above_hull": 5.696712266666667,
"spacegroup": 216
},
{
"id": "jvasp-43484",
"created_at": "2022-09-04T14:36:32.541069Z",
"updated_at": "2022-09-04T14:36:32.541101Z",
"structure_string": "Li2 Fe2 F8\n1.0\n2.846924 4.302404 -0.000000\n-2.846924 4.302404 -0.000000\n0.000000 -0.000000 6.047935\nLi Fe F\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.646340 0.646340 0.749999 Fe\n0.353660 0.353660 0.250000 Fe\n0.256425 0.766758 0.749999 F\n0.233241 0.743574 0.250000 F\n0.770615 0.770615 0.506778 F\n0.229384 0.229384 0.006778 F\n0.229384 0.229384 0.493221 F\n0.770615 0.770615 0.993221 F\n0.743574 0.233241 0.250000 F\n0.766758 0.256425 0.749999 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.1108608953941372,
"density_atomic": 0.08099478803265783,
"volume": 148.15768139502373,
"volume_molar": 7.435220100300551,
"formula_full": "Li2 Fe2 F8",
"formula_reduced": "LiFeF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2404927716666666,
"spacegroup": 63
},
{
"id": "jvasp-100226",
"created_at": "2022-09-04T14:36:32.543836Z",
"updated_at": "2022-09-04T14:36:32.543870Z",
"structure_string": "Sm2 Hg1 Pb1\n1.0\n4.675086 0.000000 2.699162\n1.558362 4.407713 2.699162\n-0.000000 -0.000000 5.398324\nSm Hg Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750001 0.749999 0.749999 Sm\n0.500000 0.500000 0.499999 Hg\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Hg",
"Pb"
],
"chemical_system": "Hg-Pb-Sm",
"density": 10.576286874287275,
"density_atomic": 0.03595821557754101,
"volume": 111.24022523793819,
"volume_molar": 16.747607363924207,
"formula_full": "Sm2 Hg1 Pb1",
"formula_reduced": "Sm2HgPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2891182925,
"spacegroup": 225
},
{
"id": "jvasp-13361",
"created_at": "2022-09-04T14:36:32.545311Z",
"updated_at": "2022-09-04T14:36:32.545338Z",
"structure_string": "Nd5 Ag1 S8\n1.0\n7.419618 0.039315 -0.000000\n-2.436139 7.008388 0.000000\n-2.491739 -3.523851 6.035394\nNd Ag S\n5 1 8\ndirect\n0.111581 0.743587 0.869528 Nd\n0.256413 0.625941 0.367993 Nd\n0.374059 0.242053 0.630472 Nd\n0.625000 0.375000 0.250000 Nd\n0.757947 0.888420 0.132007 Nd\n0.875000 0.125000 0.750000 Ag\n0.990660 0.850118 0.498521 S\n0.482141 0.991899 0.854259 S\n0.507862 0.009340 0.359456 S\n0.149883 0.148405 0.140543 S\n0.372118 0.517859 0.009758 S\n0.637639 0.627882 0.645740 S\n0.851596 0.492139 0.001479 S\n0.008101 0.362361 0.490242 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Nd",
"Ag",
"S"
],
"chemical_system": "Ag-Nd-S",
"density": 5.733419516675194,
"density_atomic": 0.04452701112480989,
"volume": 314.4158937764268,
"volume_molar": 13.524691210734645,
"formula_full": "Nd5 Ag1 S8",
"formula_reduced": "Nd5AgS8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 1.8943724828571429,
"spacegroup": 82
},
{
"id": "jvasp-99493",
"created_at": "2022-09-04T14:36:32.547396Z",
"updated_at": "2022-09-04T14:36:32.547416Z",
"structure_string": "Ta1 Si1 Ru2\n1.0\n3.765030 0.000000 2.173741\n1.255010 3.549704 2.173741\n-0.000000 -0.000000 4.347482\nTa Si Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.499999 0.500000 Si\n0.250000 0.250000 0.250000 Ru\n0.750000 0.749999 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Ta",
"density": 11.751024017931567,
"density_atomic": 0.06884329013184656,
"volume": 58.102975501887286,
"volume_molar": 8.747607426179922,
"formula_full": "Ta1 Si1 Ru2",
"formula_reduced": "TaSiRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.6087672,
"spacegroup": 225
},
{
"id": "jvasp-92726",
"created_at": "2022-09-04T14:36:32.550154Z",
"updated_at": "2022-09-04T14:36:32.550183Z",
"structure_string": "Lu2 Al1 Ni2\n1.0\n-0.000000 -0.000000 -4.104395\n-0.000000 -5.336456 0.000000\n-4.036622 2.668229 2.052198\nLu Al Ni\n2 1 2\ndirect\n0.797399 0.297399 0.594796 Lu\n0.202601 0.702602 0.405204 Lu\n0.000000 0.000000 0.000000 Al\n0.500001 0.731405 -0.000000 Ni\n0.500001 0.268596 -0.000000 Ni\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Lu",
"Al",
"Ni"
],
"chemical_system": "Al-Lu-Ni",
"density": 9.283710668260861,
"density_atomic": 0.05655224350854519,
"volume": 88.41382215445594,
"volume_molar": 10.648809642874804,
"formula_full": "Lu2 Al1 Ni2",
"formula_reduced": "Lu2AlNi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.24159582,
"spacegroup": 71
},
{
"id": "jvasp-100529",
"created_at": "2022-09-04T14:36:32.551350Z",
"updated_at": "2022-09-04T14:36:32.551382Z",
"structure_string": "Sm3 Ag3 Ge3\n1.0\n7.265370 -0.000000 -0.000000\n-3.632685 6.291995 0.000000\n0.000000 -0.000000 4.260546\nSm Ag Ge\n3 3 3\ndirect\n0.586713 0.000000 0.000000 Sm\n0.000000 0.586713 0.000000 Sm\n0.413287 0.413286 0.000000 Sm\n0.251295 0.000000 0.500001 Ag\n0.000000 0.251294 0.500001 Ag\n0.748706 0.748705 0.500001 Ag\n0.333333 0.666666 0.500001 Ge\n0.666667 0.333333 0.500001 Ge\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sm",
"Ag",
"Ge"
],
"chemical_system": "Ag-Ge-Sm",
"density": 8.462798827236801,
"density_atomic": 0.04620948683989128,
"volume": 194.76520116277436,
"volume_molar": 13.032260628354921,
"formula_full": "Sm3 Ag3 Ge3",
"formula_reduced": "SmAgGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3883040283333332,
"spacegroup": 189
},
{
"id": "jvasp-99863",
"created_at": "2022-09-04T14:36:32.552039Z",
"updated_at": "2022-09-04T14:36:32.552067Z",
"structure_string": "Ba2 U1 In1 O6\n1.0\n5.290943 0.000000 3.054727\n1.763647 4.988349 3.054727\n-0.000000 -0.000000 6.109455\nBa U In O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 In\n0.751753 0.248247 0.248247 O\n0.248247 0.751754 0.751753 O\n0.248247 0.751754 0.248247 O\n0.751753 0.248247 0.751754 O\n0.248246 0.248247 0.751753 O\n0.751753 0.751754 0.248247 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"U",
"In",
"O"
],
"chemical_system": "Ba-In-O-U",
"density": 7.450640942786584,
"density_atomic": 0.062016551969192,
"volume": 161.2472748399122,
"volume_molar": 9.710537862523575,
"formula_full": "Ba2 U1 In1 O6",
"formula_reduced": "Ba2UInO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.030001891,
"spacegroup": 225
},
{
"id": "jvasp-76238",
"created_at": "2022-09-04T14:36:32.557614Z",
"updated_at": "2022-09-04T14:36:32.557632Z",
"structure_string": "Yb10 Au6\n1.0\n6.939461 0.000000 -3.327851\n-1.595887 6.753464 -3.327852\n-0.033011 -0.041720 8.830407\nYb Au\n10 6\ndirect\n0.022946 0.522946 0.712065 Yb\n0.477054 0.310880 0.287935 Yb\n0.977054 0.477054 0.287935 Yb\n0.189120 0.022946 0.712065 Yb\n0.689120 0.189120 0.712065 Yb\n0.522946 0.689119 0.712065 Yb\n0.500000 0.500000 -0.000000 Yb\n0.810880 0.977053 0.287935 Yb\n0.310880 0.810880 0.287935 Yb\n0.000000 0.000000 0.000000 Yb\n0.865045 0.634954 -0.000000 Au\n0.250000 0.250000 0.500000 Au\n0.134954 0.365045 -0.000000 Au\n0.634954 0.134954 0.000000 Au\n0.365045 0.865045 -0.000000 Au\n0.750000 0.750000 0.500000 Au\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Yb",
"Au"
],
"chemical_system": "Au-Yb",
"density": 11.739890757229816,
"density_atomic": 0.03884309533563726,
"volume": 411.9136196985961,
"volume_molar": 15.50376124241284,
"formula_full": "Yb10 Au6",
"formula_reduced": "Yb5Au3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.12703,
"spacegroup": 140
},
{
"id": "jvasp-99443",
"created_at": "2022-09-04T14:36:32.558015Z",
"updated_at": "2022-09-04T14:36:32.558041Z",
"structure_string": "U2 P1 S1\n1.0\n3.912810 0.000000 0.000000\n0.000000 3.912810 0.000000\n0.000000 0.000000 5.534578\nU P S\n2 1 1\ndirect\n0.000000 0.000000 0.500000 U\n0.500000 0.500000 -0.000000 U\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.500000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"U",
"P",
"S"
],
"chemical_system": "P-S-U",
"density": 10.564614243751475,
"density_atomic": 0.047206082321596766,
"volume": 84.73484354726894,
"volume_molar": 12.75712887795578,
"formula_full": "U2 P1 S1",
"formula_reduced": "U2PS",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.883326875,
"spacegroup": 123
}
]
}