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=-structure_string&page=37",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=35",
"results": [
{
"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-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-102137",
"created_at": "2022-09-04T14:36:44.087473Z",
"updated_at": "2022-09-04T14:36:44.087498Z",
"structure_string": "Zr2 Fe1 Tc1\n1.0\n3.956577 -0.000000 2.284330\n1.318859 3.730296 2.284330\n0.000000 0.000000 4.568662\nZr Fe Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750001 0.750001 0.749999 Zr\n0.500000 0.500000 0.499999 Fe\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Tc"
],
"chemical_system": "Fe-Tc-Zr",
"density": 8.281613898699408,
"density_atomic": 0.05932094291011145,
"volume": 67.42981152644805,
"volume_molar": 10.151795410813515,
"formula_full": "Zr2 Fe1 Tc1",
"formula_reduced": "Zr2FeTc",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.2876615000000005,
"spacegroup": 225
},
{
"id": "jvasp-109620",
"created_at": "2022-09-04T14:38:28.282304Z",
"updated_at": "2022-09-04T14:38:28.282331Z",
"structure_string": "Zr2 Fe1 Os1\n1.0\n3.959528 0.000000 2.286035\n1.319843 3.733079 2.286035\n-0.000000 -0.000000 4.572070\nZr Fe Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.749999 Zr\n0.500000 0.500000 0.499999 Fe\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Os"
],
"chemical_system": "Fe-Os-Zr",
"density": 10.5293064083192,
"density_atomic": 0.05918838925143438,
"volume": 67.58082202588514,
"volume_molar": 10.174530572909719,
"formula_full": "Zr2 Fe1 Os1",
"formula_reduced": "Zr2FeOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.381992375000001,
"spacegroup": 225
},
{
"id": "jvasp-27204",
"created_at": "2022-09-04T14:38:31.368139Z",
"updated_at": "2022-09-04T14:38:31.368149Z",
"structure_string": "Zr2 Fe12 P7\n1.0\n4.427001 -7.667790 -0.000000\n4.427001 7.667790 -0.000000\n-0.000000 -0.000000 3.599722\nZr Fe P\n2 12 7\ndirect\n0.333333 0.666667 0.000000 Zr\n0.666667 0.333333 0.500000 Zr\n0.902763 0.120311 0.500000 Fe\n0.879689 0.782453 0.500000 Fe\n0.217547 0.097237 0.500000 Fe\n0.052377 0.615274 0.500000 Fe\n0.384726 0.437104 0.500000 Fe\n0.562896 0.947622 0.500000 Fe\n0.120089 0.844117 0.000000 Fe\n0.155883 0.275972 0.000000 Fe\n0.938145 0.368410 0.000000 Fe\n0.631590 0.569736 0.000000 Fe\n0.430264 0.061854 0.000000 Fe\n0.724028 0.879911 0.000000 Fe\n0.596336 0.710594 0.500000 P\n0.413165 0.298751 0.000000 P\n0.885586 0.586835 0.000000 P\n0.701249 0.114414 0.000000 P\n0.114259 0.403664 0.500000 P\n0.289406 0.885741 0.500000 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"P"
],
"chemical_system": "Fe-P-Zr",
"density": 7.266282008331945,
"density_atomic": 0.0859291481508249,
"volume": 244.38738718950518,
"volume_molar": 7.0082630743991485,
"formula_full": "Zr2 Fe12 P7",
"formula_reduced": "Zr2Fe12P7",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 4.230505404761906,
"spacegroup": 174
},
{
"id": "jvasp-93744",
"created_at": "2022-09-04T14:35:45.399893Z",
"updated_at": "2022-09-04T14:35:45.399909Z",
"structure_string": "Zr2 Cu4\n1.0\n0.000000 -0.000000 4.690470\n4.690154 0.000000 0.000000\n0.000000 4.268115 -2.345234\nZr Cu\n2 4\ndirect\n0.030063 0.000000 0.000000 Zr\n0.529938 0.500000 0.999999 Zr\n0.350798 0.000000 0.641375 Cu\n0.709423 0.000000 0.358624 Cu\n0.850578 0.500000 0.641375 Cu\n0.209202 0.500000 0.358624 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Cu"
],
"chemical_system": "Cu-Zr",
"density": 7.7219161365263895,
"density_atomic": 0.06390159117125756,
"volume": 93.89437555506056,
"volume_molar": 9.42408576941463,
"formula_full": "Zr2 Cu4",
"formula_reduced": "ZrCu2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9755884666666668,
"spacegroup": 139
},
{
"id": "jvasp-100783",
"created_at": "2022-09-04T14:36:45.825328Z",
"updated_at": "2022-09-04T14:36:45.825360Z",
"structure_string": "Zr2 Cu3 Sb3\n1.0\n4.232980 -0.000000 0.000000\n0.000000 4.232980 0.000000\n-0.000000 -0.000000 8.797763\nZr Cu Sb\n2 3 3\ndirect\n0.500000 0.500000 0.759057 Zr\n0.000000 0.000000 0.266172 Zr\n0.500000 0.000000 0.475879 Cu\n-0.000000 0.500000 0.475879 Cu\n0.500000 0.500000 0.328734 Cu\n0.500000 0.000000 0.017088 Sb\n-0.000000 0.500000 0.017088 Sb\n0.000000 0.000000 0.660103 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"Sb"
],
"chemical_system": "Cu-Sb-Zr",
"density": 7.777787907281239,
"density_atomic": 0.05074874368024529,
"volume": 157.639370353795,
"volume_molar": 11.866580969854054,
"formula_full": "Zr2 Cu3 Sb3",
"formula_reduced": "Zr2(CuSb)3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 1.7480148312500003,
"spacegroup": 99
},
{
"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-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-91618",
"created_at": "2022-09-04T14:35:43.594506Z",
"updated_at": "2022-09-04T14:35:43.594533Z",
"structure_string": "Zr2 Cu2 Ge2 As2\n1.0\n3.745069 0.000000 -0.000000\n0.000000 3.745069 0.000000\n0.000000 0.000000 9.701641\nZr Cu Ge As\n2 2 2 2\ndirect\n0.750000 0.750000 0.773217 Zr\n0.250000 0.250000 0.226782 Zr\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.000000 Ge\n0.250000 0.750000 0.000000 Ge\n0.750000 0.750000 0.322557 As\n0.250000 0.250000 0.677443 As\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zr",
"Cu",
"Ge",
"As"
],
"chemical_system": "As-Cu-Ge-Zr",
"density": 7.379004723345118,
"density_atomic": 0.05879293481468133,
"volume": 136.07077151729973,
"volume_molar": 10.242966742487221,
"formula_full": "Zr2 Cu2 Ge2 As2",
"formula_reduced": "ZrCuGeAs",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.6041431624999998,
"spacegroup": 129
},
{
"id": "jvasp-79629",
"created_at": "2022-09-04T14:37:15.084938Z",
"updated_at": "2022-09-04T14:37:15.084958Z",
"structure_string": "Zr2 Cu2\n1.0\n3.119395 0.000000 -0.904301\n0.000000 4.125998 0.000000\n-0.085180 0.000000 5.504435\nZr Cu\n2 2\ndirect\n0.347449 0.250000 0.194508 Zr\n0.652550 0.750000 0.805491 Zr\n0.070873 0.250000 0.641811 Cu\n0.929126 0.750000 0.358188 Cu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Cu"
],
"chemical_system": "Cu-Zr",
"density": 7.287967185535853,
"density_atomic": 0.05671533793464509,
"volume": 70.52765875448594,
"volume_molar": 10.618187212319016,
"formula_full": "Zr2 Cu2",
"formula_reduced": "ZrCu",
"formula_anonymous": "AB",
"energy_above_hull": 1.2164674750000002,
"spacegroup": 63
}
]
}