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=-formula_reduced&page=41",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=39",
"results": [
{
"id": "jvasp-34429",
"created_at": "2022-09-04T14:38:13.446386Z",
"updated_at": "2022-09-04T14:38:13.446409Z",
"structure_string": "Zr1 Fe1 F6\n1.0\n5.001391 0.000000 2.887554\n1.667130 4.715357 2.887554\n-0.000000 0.000000 5.775109\nZr Fe F\n1 1 6\ndirect\n0.500000 0.500000 0.499999 Zr\n0.000000 0.000000 0.000000 Fe\n0.251484 0.748517 0.748516 F\n0.251484 0.748517 0.251483 F\n0.748516 0.251484 0.251483 F\n0.748516 0.748517 0.251483 F\n0.251484 0.251484 0.748516 F\n0.748516 0.251484 0.748516 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"F"
],
"chemical_system": "F-Fe-Zr",
"density": 3.182899253272432,
"density_atomic": 0.05873871134309022,
"volume": 136.19638254016763,
"volume_molar": 10.252422333246198,
"formula_full": "Zr1 Fe1 F6",
"formula_reduced": "ZrFeF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.603887711875,
"spacegroup": 225
},
{
"id": "jvasp-85406",
"created_at": "2022-09-04T14:36:03.311154Z",
"updated_at": "2022-09-04T14:36:03.311191Z",
"structure_string": "Zr1 Fe1 F6\n1.0\n4.747499 0.097694 3.129996\n1.735560 4.419968 3.129997\n0.140195 0.097693 5.684713\nZr Fe F\n1 1 6\ndirect\n0.500000 0.499999 0.500001 Zr\n0.000000 0.000000 0.000000 Fe\n0.378107 0.749722 0.125704 F\n0.874297 0.621892 0.250279 F\n0.749722 0.125703 0.378108 F\n0.250278 0.874296 0.621893 F\n0.621892 0.250277 0.874297 F\n0.125703 0.378107 0.749722 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"F"
],
"chemical_system": "F-Fe-Zr",
"density": 3.753067843108697,
"density_atomic": 0.06926086914650048,
"volume": 115.50533654260695,
"volume_molar": 8.694867439884385,
"formula_full": "Zr1 Fe1 F6",
"formula_reduced": "ZrFeF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6021689618749999,
"spacegroup": 148
},
{
"id": "jvasp-110620",
"created_at": "2022-09-04T14:38:37.969884Z",
"updated_at": "2022-09-04T14:38:37.969911Z",
"structure_string": "Zr1 Fe1 F6\n1.0\n4.764845 0.120148 3.100937\n1.742792 4.436312 3.100938\n0.171599 0.120148 5.682439\nZr Fe F\n1 1 6\ndirect\n0.499999 0.500000 0.500001 Zr\n0.000000 0.000000 0.000000 Fe\n0.749715 0.378123 0.125690 F\n0.621876 0.874311 0.250285 F\n0.125688 0.749716 0.378124 F\n0.874310 0.250284 0.621878 F\n0.250283 0.621877 0.874312 F\n0.378123 0.125689 0.749717 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"F"
],
"chemical_system": "F-Fe-Zr",
"density": 3.753084587657061,
"density_atomic": 0.06926117815822679,
"volume": 115.50482121057836,
"volume_molar": 8.694828647359206,
"formula_full": "Zr1 Fe1 F6",
"formula_reduced": "ZrFeF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6021689618749999,
"spacegroup": 148
},
{
"id": "jvasp-99396",
"created_at": "2022-09-04T14:36:36.998148Z",
"updated_at": "2022-09-04T14:36:36.998183Z",
"structure_string": "Zr2 Fe2 Co2\n1.0\n4.308967 0.007011 -2.357183\n-1.404834 3.966758 -2.532753\n-0.007941 -0.007011 4.911563\nZr Fe Co\n2 2 2\ndirect\n0.127668 0.877667 0.250001 Zr\n0.872334 0.122333 0.750001 Zr\n0.500001 0.500000 0.500001 Fe\n0.500000 -0.000000 0.000000 Fe\n0.500001 0.500000 0.000001 Co\n0.000001 0.500000 0.500001 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Co"
],
"chemical_system": "Co-Fe-Zr",
"density": 8.161535809060023,
"density_atomic": 0.07157678704868913,
"volume": 83.8260593608174,
"volume_molar": 8.413538813782633,
"formula_full": "Zr2 Fe2 Co2",
"formula_reduced": "ZrFeCo",
"formula_anonymous": "ABC",
"energy_above_hull": 3.1541569666666662,
"spacegroup": 74
},
{
"id": "jvasp-5473",
"created_at": "2022-09-04T14:37:57.396425Z",
"updated_at": "2022-09-04T14:37:57.396462Z",
"structure_string": "Zr2 Fe2 Cl12\n1.0\n3.113815 -5.393285 0.000000\n3.113815 5.393285 0.000000\n0.000000 0.000000 11.713574\nZr Fe Cl\n2 2 12\ndirect\n0.333332 0.666666 0.750000 Zr\n0.666666 0.333332 0.250000 Zr\n0.000000 0.000000 0.750000 Fe\n0.000000 0.000000 0.250000 Fe\n0.013846 0.331147 0.871363 Cl\n0.317299 0.986153 0.871363 Cl\n0.668852 0.682699 0.871363 Cl\n0.668852 0.986153 0.628636 Cl\n0.682699 0.668852 0.371363 Cl\n0.986153 0.317299 0.371363 Cl\n0.331147 0.013846 0.371363 Cl\n0.331146 0.317300 0.128637 Cl\n0.682699 0.013845 0.128637 Cl\n0.986153 0.668852 0.128637 Cl\n0.317300 0.331146 0.628636 Cl\n0.013845 0.682699 0.628636 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Cl"
],
"chemical_system": "Cl-Fe-Zr",
"density": 3.037099093309285,
"density_atomic": 0.04066814698318164,
"volume": 393.4283016783828,
"volume_molar": 14.808003822968535,
"formula_full": "Zr2 Fe2 Cl12",
"formula_reduced": "ZrFeCl6",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.036325550625,
"spacegroup": 163
},
{
"id": "jvasp-23331",
"created_at": "2022-09-04T14:37:39.224577Z",
"updated_at": "2022-09-04T14:37:39.224601Z",
"structure_string": "Zr2 Fe8 Si4\n1.0\n6.964382 -0.000000 0.000000\n0.000000 6.964382 0.000000\n0.000000 0.000000 3.645931\nZr Fe Si\n2 8 4\ndirect\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.582439 0.149865 0.500000 Fe\n0.417561 0.850134 0.500000 Fe\n0.149865 0.582439 0.500000 Fe\n0.850134 0.417561 0.500000 Fe\n0.082439 0.350135 0.000000 Fe\n0.917561 0.649865 0.000000 Fe\n0.649865 0.917561 0.000000 Fe\n0.350135 0.082439 0.000000 Fe\n0.218672 0.781327 0.000000 Si\n0.281327 0.281327 0.500000 Si\n0.718672 0.718672 0.500000 Si\n0.781327 0.218672 0.000000 Si\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Si"
],
"chemical_system": "Fe-Si-Zr",
"density": 6.963313089276109,
"density_atomic": 0.07916886552719003,
"volume": 176.8371935959066,
"volume_molar": 7.606703367413715,
"formula_full": "Zr2 Fe8 Si4",
"formula_reduced": "Zr(Fe2Si)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.895856242857142,
"spacegroup": 136
},
{
"id": "jvasp-19943",
"created_at": "2022-09-04T14:37:58.107315Z",
"updated_at": "2022-09-04T14:37:58.107335Z",
"structure_string": "Zr2 Fe4\n1.0\n4.285848 -0.000000 2.474436\n1.428616 4.040737 2.474436\n0.000000 0.000000 4.948872\nZr Fe\n2 4\ndirect\n0.875001 0.875001 0.875000 Zr\n0.125000 0.125000 0.125000 Zr\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500001 0.500000 0.500000 Fe\n0.500001 0.500000 0.000000 Fe\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Fe"
],
"chemical_system": "Fe-Zr",
"density": 7.86298659402381,
"density_atomic": 0.07000800153695882,
"volume": 85.7044890337637,
"volume_molar": 8.602074945420023,
"formula_full": "Zr2 Fe4",
"formula_reduced": "ZrFe2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.2043085,
"spacegroup": 227
},
{
"id": "jvasp-17766",
"created_at": "2022-09-04T14:37:28.711352Z",
"updated_at": "2022-09-04T14:37:28.711374Z",
"structure_string": "Zr2 Cu2 Si2 P2\n1.0\n3.607653 0.000000 0.000000\n0.000000 3.607653 0.000000\n0.000000 -0.000000 9.560187\nZr Cu Si P\n2 2 2 2\ndirect\n0.500000 0.000000 0.771349 Zr\n0.000000 0.500000 0.228651 Zr\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.327338 P\n0.000000 0.500000 0.672663 P\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zr",
"Cu",
"Si",
"P"
],
"chemical_system": "Cu-P-Si-Zr",
"density": 5.707295063348797,
"density_atomic": 0.06429453840086145,
"volume": 124.42736504494155,
"volume_molar": 9.366488833706772,
"formula_full": "Zr2 Cu2 Si2 P2",
"formula_reduced": "ZrCuSiP",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.3198822625,
"spacegroup": 129
},
{
"id": "jvasp-91656",
"created_at": "2022-09-04T14:37:41.037087Z",
"updated_at": "2022-09-04T14:37:41.037117Z",
"structure_string": "Zr2 Si2 Cu2 As2\n1.0\n3.684474 -0.000000 0.000000\n0.000000 3.684474 -0.000000\n-0.000000 0.000000 9.752429\nZr Si Cu As\n2 2 2 2\ndirect\n0.749999 0.749999 0.778406 Zr\n0.250000 0.250000 0.221594 Zr\n0.250000 0.749999 0.000000 Si\n0.749999 0.250000 0.000000 Si\n0.749999 0.250000 0.500000 Cu\n0.250000 0.749999 0.500000 Cu\n0.749999 0.749999 0.320646 As\n0.250000 0.250000 0.679355 As\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zr",
"Si",
"Cu",
"As"
],
"chemical_system": "As-Cu-Si-Zr",
"density": 6.466356392619438,
"density_atomic": 0.0604263271084008,
"volume": 132.39262392447804,
"volume_molar": 9.96608771073688,
"formula_full": "Zr2 Si2 Cu2 As2",
"formula_reduced": "ZrCuSiAs",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.185103825,
"spacegroup": 129
},
{
"id": "jvasp-7933",
"created_at": "2022-09-04T14:36:51.713549Z",
"updated_at": "2022-09-04T14:36:51.713564Z",
"structure_string": "Zr2 Cu2 Si4\n1.0\n3.725211 -0.000000 0.000000\n0.000000 3.725211 0.000000\n-0.000000 -0.000000 9.141558\nZr Cu Si\n2 2 4\ndirect\n0.000000 0.500000 0.265362 Zr\n0.500000 0.000000 0.734638 Zr\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.170397 Si\n0.000000 0.500000 0.829603 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"Si"
],
"chemical_system": "Cu-Si-Zr",
"density": 5.522276160128158,
"density_atomic": 0.06306203983744572,
"volume": 126.85920120283939,
"volume_molar": 9.549549579308252,
"formula_full": "Zr2 Cu2 Si4",
"formula_reduced": "ZrCuSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.4158005375,
"spacegroup": 129
},
{
"id": "jvasp-23813",
"created_at": "2022-09-04T14:37:36.138875Z",
"updated_at": "2022-09-04T14:37:36.138919Z",
"structure_string": "Zr4 Cu4 Si4\n1.0\n3.950449 -0.000000 0.000000\n-0.000000 6.553954 0.000000\n0.000000 0.000000 7.327345\nZr Cu Si\n4 4 4\ndirect\n0.250000 0.509479 0.694190 Zr\n0.750000 0.490520 0.305811 Zr\n0.250000 0.009480 0.805811 Zr\n0.750000 0.990520 0.194190 Zr\n0.750000 0.828681 0.577232 Cu\n0.250000 0.171318 0.422768 Cu\n0.750000 0.328682 0.922769 Cu\n0.250000 0.671318 0.077232 Cu\n0.250000 0.278849 0.100239 Si\n0.750000 0.721150 0.899761 Si\n0.250000 0.778849 0.399761 Si\n0.750000 0.221151 0.600240 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"Si"
],
"chemical_system": "Cu-Si-Zr",
"density": 6.402073088321696,
"density_atomic": 0.06325352856272522,
"volume": 189.71273654876387,
"volume_molar": 9.520640028845438,
"formula_full": "Zr4 Cu4 Si4",
"formula_reduced": "ZrCuSi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8687245166666664,
"spacegroup": 62
},
{
"id": "jvasp-16029",
"created_at": "2022-09-04T14:36:46.967929Z",
"updated_at": "2022-09-04T14:36:46.967955Z",
"structure_string": "Zr1 Cu2 P2\n1.0\n1.916341 -3.319200 0.000000\n1.916341 3.319200 -0.000000\n0.000000 -0.000000 6.194133\nZr Cu P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.640570 Cu\n0.333333 0.666667 0.359430 Cu\n0.666667 0.333333 0.249613 P\n0.333333 0.666667 0.750387 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"P"
],
"chemical_system": "Cu-P-Zr",
"density": 5.9060747702981935,
"density_atomic": 0.06345316206420007,
"volume": 78.79827950798015,
"volume_molar": 9.490686616857602,
"formula_full": "Zr1 Cu2 P2",
"formula_reduced": "Zr(CuP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.87130928,
"spacegroup": 164
}
]
}