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=nelements&page=1123",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=1121",
"results": [
{
"id": "jvasp-106974",
"created_at": "2022-09-04T14:36:57.918470Z",
"updated_at": "2022-09-04T14:36:57.918496Z",
"structure_string": "Pr6 Ag2\n1.0\n7.139254 -0.000000 0.000000\n-3.569627 6.182775 0.000000\n-0.000000 -0.000000 5.410257\nPr Ag\n6 2\ndirect\n0.175479 0.350959 0.250000 Pr\n0.649040 0.824522 0.250000 Pr\n0.175479 0.824522 0.250000 Pr\n0.824520 0.649041 0.750000 Pr\n0.350959 0.175479 0.750000 Pr\n0.824520 0.175479 0.750000 Pr\n0.333333 0.666667 0.750000 Ag\n0.666666 0.333334 0.250000 Ag\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pr",
"Ag"
],
"chemical_system": "Ag-Pr",
"density": 7.378786145816115,
"density_atomic": 0.03349930644218147,
"volume": 238.81091430378405,
"volume_molar": 17.97691176202106,
"formula_full": "Pr6 Ag2",
"formula_reduced": "Pr3Ag",
"formula_anonymous": "AB3",
"energy_above_hull": 1.1947367025000002,
"spacegroup": 194
},
{
"id": "jvasp-107227",
"created_at": "2022-09-04T14:36:49.366956Z",
"updated_at": "2022-09-04T14:36:49.366968Z",
"structure_string": "Tl3 Ge1\n1.0\n4.654064 -0.101484 -2.767498\n-1.555196 4.387708 -2.767498\n0.073371 0.101484 5.414238\nTl Ge\n3 1\ndirect\n0.749999 0.250000 0.500000 Tl\n0.249999 0.750000 0.499999 Tl\n0.499999 0.500001 -0.000000 Tl\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"Ge"
],
"chemical_system": "Ge-Tl",
"density": 10.13480891530593,
"density_atomic": 0.03559880125663385,
"volume": 112.36333412363423,
"volume_molar": 16.916695358885917,
"formula_full": "Tl3 Ge1",
"formula_reduced": "Tl3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107468",
"created_at": "2022-09-04T14:36:56.458369Z",
"updated_at": "2022-09-04T14:36:56.458391Z",
"structure_string": "Nd1 Pu3\n1.0\n4.398235 -0.036399 -3.973333\n-0.891955 4.306995 -3.973333\n0.029885 0.036399 5.927137\nNd Pu\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.749999 0.250000 0.500000 Pu\n0.250000 0.750001 0.500001 Pu\n0.500000 0.500000 0.000001 Pu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"Pu"
],
"chemical_system": "Nd-Pu",
"density": 12.834699301579443,
"density_atomic": 0.03528357044428169,
"volume": 113.3672116974848,
"volume_molar": 17.067832660274302,
"formula_full": "Nd1 Pu3",
"formula_reduced": "NdPu3",
"formula_anonymous": "AB3",
"energy_above_hull": 6.383687875,
"spacegroup": 139
},
{
"id": "jvasp-104907",
"created_at": "2022-09-04T14:36:49.368367Z",
"updated_at": "2022-09-04T14:36:49.368395Z",
"structure_string": "V1 Pd4\n1.0\n2.742055 0.001297 11.004990\n1.351480 2.385869 11.004990\n0.002225 0.001297 11.341458\nV Pd\n1 4\ndirect\n0.000000 0.000000 0.000000 V\n0.604215 0.604218 0.604215 Pd\n0.201135 0.201136 0.201135 Pd\n0.798863 0.798867 0.798863 Pd\n0.395784 0.395785 0.395784 Pd\n",
"nsites": 5,
"nelements": 2,
"elements": [
"V",
"Pd"
],
"chemical_system": "Pd-V",
"density": 10.680848652120861,
"density_atomic": 0.0674765763205775,
"volume": 74.09978799524852,
"volume_molar": 8.924787071870897,
"formula_full": "V1 Pd4",
"formula_reduced": "VPd4",
"formula_anonymous": "AB4",
"energy_above_hull": 2.3186154,
"spacegroup": 166
},
{
"id": "jvasp-4343",
"created_at": "2022-09-04T14:37:02.904482Z",
"updated_at": "2022-09-04T14:37:02.904500Z",
"structure_string": "S10 N12\n1.0\n6.963451 0.017445 -1.220037\n-1.906727 6.697339 -1.220037\n0.015284 0.020295 7.369882\nS N\n10 12\ndirect\n0.922627 0.077372 0.749999 S\n0.756919 0.326190 0.498452 S\n0.673809 0.243080 0.001547 S\n0.243080 0.673810 0.501547 S\n0.326190 0.756919 -0.001548 S\n0.719251 0.577714 0.830175 S\n0.422286 0.280749 0.669823 S\n0.280748 0.422286 0.169823 S\n0.577713 0.719251 0.330176 S\n0.077371 0.922628 0.249999 S\n0.841552 0.124154 0.929506 N\n0.238534 0.520028 -0.010161 N\n0.158447 0.875846 0.070493 N\n0.830794 0.531464 0.661409 N\n0.468535 0.169206 0.838589 N\n0.169205 0.468536 0.338589 N\n0.531464 0.830794 0.161410 N\n0.520028 0.238534 0.489839 N\n0.761466 0.479971 0.010160 N\n0.479971 0.761466 0.510160 N\n0.124153 0.841553 0.429506 N\n0.875846 0.158447 0.570493 N\n",
"nsites": 22,
"nelements": 2,
"elements": [
"S",
"N"
],
"chemical_system": "N-S",
"density": 2.3571492740664803,
"density_atomic": 0.06389859602853536,
"volume": 344.29551457085853,
"volume_molar": 9.42452750810155,
"formula_full": "S10 N12",
"formula_reduced": "S5N6",
"formula_anonymous": "A5B6",
"energy_above_hull": 4.503487227272728,
"spacegroup": 15
},
{
"id": "jvasp-101611",
"created_at": "2022-09-04T14:36:57.833392Z",
"updated_at": "2022-09-04T14:36:57.833419Z",
"structure_string": "Ta1 Zn3\n1.0\n3.924891 -0.000000 0.000000\n0.000000 3.924891 0.000000\n-0.000000 -0.000000 3.924891\nTa Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n-0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 -0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Zn"
],
"chemical_system": "Ta-Zn",
"density": 10.358790684212945,
"density_atomic": 0.0661572113447905,
"volume": 60.46204062552249,
"volume_molar": 9.102772982093372,
"formula_full": "Ta1 Zn3",
"formula_reduced": "TaZn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4765500999999997,
"spacegroup": 221
},
{
"id": "jvasp-11989",
"created_at": "2022-09-04T14:36:56.055000Z",
"updated_at": "2022-09-04T14:36:56.055023Z",
"structure_string": "Mg3 Ni3\n1.0\n-4.309510 2.441414 -0.016600\n-0.040429 -4.952852 0.016600\n-1.403742 2.431352 4.080805\nMg Ni\n3 3\ndirect\n0.500054 0.833389 0.000002 Mg\n0.880290 0.453126 0.380231 Mg\n0.119791 0.213623 0.619771 Mg\n0.499921 0.333308 -0.000026 Ni\n0.499969 0.833303 0.500001 Ni\n0.999972 0.833254 0.000027 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni",
"density": 4.712453093819972,
"density_atomic": 0.0683845854033055,
"volume": 87.73907108764863,
"volume_molar": 8.806283937357772,
"formula_full": "Mg3 Ni3",
"formula_reduced": "MgNi",
"formula_anonymous": "AB",
"energy_above_hull": 0.3782274571428571,
"spacegroup": 166
},
{
"id": "jvasp-107199",
"created_at": "2022-09-04T14:36:56.058279Z",
"updated_at": "2022-09-04T14:36:56.058288Z",
"structure_string": "Mg1 Sc3\n1.0\n4.944505 -0.002504 -3.614214\n-0.445062 3.095866 -5.265759\n0.009897 0.002504 6.124588\nMg Sc\n1 3\ndirect\n0.169065 0.500000 0.669065 Mg\n0.757967 0.753993 0.003978 Sc\n0.249986 0.246010 0.003976 Sc\n0.656367 -0.000000 0.656367 Sc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Sc"
],
"chemical_system": "Mg-Sc",
"density": 2.8140643822637834,
"density_atomic": 0.04258692097508802,
"volume": 93.92555057783754,
"volume_molar": 14.140822163505927,
"formula_full": "Mg1 Sc3",
"formula_reduced": "MgSc3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.831152675,
"spacegroup": 44
},
{
"id": "jvasp-80514",
"created_at": "2022-09-04T14:36:48.849326Z",
"updated_at": "2022-09-04T14:36:48.849345Z",
"structure_string": "Ca2 Zn2\n1.0\n5.135457 -0.000000 0.000000\n-2.567728 4.447436 -0.000000\n0.000000 -0.000000 6.130363\nCa Zn\n2 2\ndirect\n0.333333 0.666668 0.062513 Ca\n0.666667 0.333333 0.562513 Ca\n0.333333 0.666668 0.562487 Zn\n0.666667 0.333333 0.062487 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 2.5020906432229957,
"density_atomic": 0.028568339327073436,
"volume": 140.0151389342155,
"volume_molar": 21.079771879820058,
"formula_full": "Ca2 Zn2",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.5714336363636364,
"spacegroup": 194
},
{
"id": "jvasp-18715",
"created_at": "2022-09-04T14:36:56.062496Z",
"updated_at": "2022-09-04T14:36:56.062519Z",
"structure_string": "Hf2 Ni4\n1.0\n4.230848 -0.000000 2.442682\n1.410283 3.988882 2.442682\n-0.000000 -0.000000 4.885362\nHf Ni\n2 4\ndirect\n0.125000 0.125000 0.125000 Hf\n0.875000 0.875000 0.874999 Hf\n0.500000 0.000000 0.499999 Ni\n-0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.500000 -0.000000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"Ni"
],
"chemical_system": "Hf-Ni",
"density": 11.91830908782736,
"density_atomic": 0.07277394000430622,
"volume": 82.44709575494971,
"volume_molar": 8.275133598158428,
"formula_full": "Hf2 Ni4",
"formula_reduced": "HfNi2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0711226,
"spacegroup": 227
},
{
"id": "jvasp-100617",
"created_at": "2022-09-04T14:36:56.429441Z",
"updated_at": "2022-09-04T14:36:56.429461Z",
"structure_string": "Sc6 Sn2\n1.0\n6.344969 -0.000000 0.000000\n-3.172484 5.494905 -0.000000\n0.000000 -0.000000 5.150267\nSc Sn\n6 2\ndirect\n0.168281 0.336562 0.250000 Sc\n0.663439 0.831720 0.250000 Sc\n0.168281 0.831720 0.250000 Sc\n0.831720 0.663439 0.750000 Sc\n0.336562 0.168281 0.750000 Sc\n0.831720 0.168281 0.750000 Sc\n0.333334 0.666668 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sc",
"Sn"
],
"chemical_system": "Sc-Sn",
"density": 4.68997767991621,
"density_atomic": 0.04455234312759078,
"volume": 179.56406865266953,
"volume_molar": 13.517001210808493,
"formula_full": "Sc6 Sn2",
"formula_reduced": "Sc3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 1.9394843625,
"spacegroup": 194
},
{
"id": "jvasp-107055",
"created_at": "2022-09-04T14:36:43.136863Z",
"updated_at": "2022-09-04T14:36:43.136891Z",
"structure_string": "In1 Pd3\n1.0\n3.366415 -0.000000 0.000000\n0.000000 3.366415 0.000000\n-0.000000 -0.000000 5.845250\nIn Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 In\n0.500001 0.500001 0.251049 Pd\n0.500001 0.500001 0.748951 Pd\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"Pd"
],
"chemical_system": "In-Pd",
"density": 10.88124216614857,
"density_atomic": 0.06038396047792259,
"volume": 66.24275665824318,
"volume_molar": 9.97308012315919,
"formula_full": "In1 Pd3",
"formula_reduced": "InPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0401917675000003,
"spacegroup": 123
}
]
}