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_anonymous&page=3642",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=3640",
"results": [
{
"id": "jvasp-92659",
"created_at": "2022-09-04T14:36:12.304170Z",
"updated_at": "2022-09-04T14:36:12.304194Z",
"structure_string": "Hf2 S1 N2\n1.0\n-0.000000 -3.508239 0.000000\n-4.138633 -0.000000 -0.000000\n2.069317 1.754119 -5.722066\nHf S N\n2 1 2\ndirect\n0.673869 0.173868 0.347738 Hf\n0.326131 0.826130 0.652263 Hf\n0.000000 0.000000 0.000000 S\n0.279258 0.279258 0.558517 N\n0.720742 0.720741 0.441484 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Hf",
"S",
"N"
],
"chemical_system": "Hf-N-S",
"density": 8.335794872478566,
"density_atomic": 0.06018261481593463,
"volume": 83.08047125058022,
"volume_molar": 10.006445845562544,
"formula_full": "Hf2 S1 N2",
"formula_reduced": "Hf2SN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.556868499999999,
"spacegroup": 71
},
{
"id": "jvasp-92701",
"created_at": "2022-09-04T14:36:12.241164Z",
"updated_at": "2022-09-04T14:36:12.241189Z",
"structure_string": "Er2 Mg2 Ru1\n1.0\n3.366974 -0.000000 -0.000000\n-0.000000 3.366974 -0.000000\n-1.683486 -1.683486 10.214582\nEr Mg Ru\n2 2 1\ndirect\n0.579858 0.579858 0.159718 Er\n0.420139 0.420139 0.840282 Er\n0.798796 0.798796 0.597594 Mg\n0.201202 0.201202 0.402406 Mg\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Er",
"Mg",
"Ru"
],
"chemical_system": "Er-Mg-Ru",
"density": 6.94339646542155,
"density_atomic": 0.043178731512423754,
"volume": 115.79775099602816,
"volume_molar": 13.947007123790236,
"formula_full": "Er2 Mg2 Ru1",
"formula_reduced": "Er2Mg2Ru",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.1188737199999998,
"spacegroup": 139
},
{
"id": "jvasp-85710",
"created_at": "2022-09-04T14:36:12.225171Z",
"updated_at": "2022-09-04T14:36:12.225189Z",
"structure_string": "Li2 H2 Pd1\n1.0\n-1.553122 1.553122 5.121365\n1.553122 -1.553122 5.121365\n1.553122 1.553122 -5.121365\nLi H Pd\n2 2 1\ndirect\n0.645960 0.645960 0.000000 Li\n0.354041 0.354041 0.000000 Li\n0.835047 0.835047 0.000000 H\n0.164954 0.164954 0.000000 H\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"H",
"Pd"
],
"chemical_system": "H-Li-Pd",
"density": 4.110381944905706,
"density_atomic": 0.10118430215655692,
"volume": 49.4147796983743,
"volume_molar": 5.951655179360008,
"formula_full": "Li2 H2 Pd1",
"formula_reduced": "Li2H2Pd",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.65225714,
"spacegroup": 139
},
{
"id": "jvasp-92330",
"created_at": "2022-09-04T14:36:12.140165Z",
"updated_at": "2022-09-04T14:36:12.140188Z",
"structure_string": "Th1 Cu2 Si2\n1.0\n4.142706 0.000000 0.000000\n0.000000 4.142706 0.000000\n-2.071352 -2.071352 4.942818\nTh Cu Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.250001 0.750001 0.500000 Cu\n0.750001 0.250001 0.500000 Cu\n0.621796 0.621796 0.243589 Si\n0.378206 0.378206 0.756411 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"Cu",
"Si"
],
"chemical_system": "Cu-Si-Th",
"density": 8.129602120198523,
"density_atomic": 0.05894231079924122,
"volume": 84.82870678467472,
"volume_molar": 10.217008254921565,
"formula_full": "Th1 Cu2 Si2",
"formula_reduced": "Th(CuSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.7680107399999996,
"spacegroup": 139
},
{
"id": "jvasp-92577",
"created_at": "2022-09-04T14:36:05.976431Z",
"updated_at": "2022-09-04T14:36:05.976458Z",
"structure_string": "Ce1 Ge2 Au2\n1.0\n4.471327 -0.000000 -0.000000\n-0.000000 4.471327 -0.000000\n-2.235663 -2.235663 5.213899\nCe Ge Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.617347 0.617347 0.234692 Ge\n0.382655 0.382655 0.765308 Ge\n0.250001 0.750001 0.500000 Au\n0.750001 0.250001 0.500000 Au\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Ge",
"Au"
],
"chemical_system": "Au-Ce-Ge",
"density": 10.82165942863683,
"density_atomic": 0.047966112973173665,
"volume": 104.24025817552454,
"volume_molar": 12.554990151834993,
"formula_full": "Ce1 Ge2 Au2",
"formula_reduced": "Ce(GeAu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.8897965079999999,
"spacegroup": 139
},
{
"id": "jvasp-4101",
"created_at": "2022-09-04T14:36:31.271050Z",
"updated_at": "2022-09-04T14:36:31.271077Z",
"structure_string": "Bi2 Te2 Se1\n1.0\n4.282939 0.014769 9.640526\n2.056958 3.756689 9.640526\n0.024828 0.014769 10.549061\nBi Te Se\n2 2 1\ndirect\n0.606175 0.606175 0.606174 Bi\n0.393825 0.393825 0.393824 Bi\n0.215005 0.215005 0.215005 Te\n0.784996 0.784996 0.784995 Te\n0.000000 0.000000 0.000000 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Bi",
"Te",
"Se"
],
"chemical_system": "Bi-Se-Te",
"density": 7.425338415952762,
"density_atomic": 0.029726895697443814,
"volume": 168.19785190116386,
"volume_molar": 20.258222793568844,
"formula_full": "Bi2 Te2 Se1",
"formula_reduced": "Bi2Te2Se",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.0063135,
"spacegroup": 166
},
{
"id": "jvasp-89078",
"created_at": "2022-09-04T14:36:11.693933Z",
"updated_at": "2022-09-04T14:36:11.693953Z",
"structure_string": "Eu2 B4 Ir4\n1.0\n5.347029 -0.045986 -1.451220\n-2.827839 4.538298 -1.451220\n0.037714 0.067251 6.157853\nEu B Ir\n2 4 4\ndirect\n0.124999 0.875000 0.750000 Eu\n0.875000 0.124999 0.250000 Eu\n0.805345 0.194653 0.749999 B\n0.555345 0.444654 0.250000 B\n0.444654 0.555345 0.749999 B\n0.194654 0.805346 0.250000 B\n0.753778 0.503778 0.007556 Ir\n0.503778 0.753778 0.507556 Ir\n0.246221 0.496222 0.992443 Ir\n0.496221 0.246221 0.492443 Ir\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Eu",
"B",
"Ir"
],
"chemical_system": "B-Eu-Ir",
"density": 12.38151857258562,
"density_atomic": 0.06681055131754449,
"volume": 149.67695675000357,
"volume_molar": 9.013757020769535,
"formula_full": "Eu2 B4 Ir4",
"formula_reduced": "Eu(BIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.049849473333333,
"spacegroup": 70
},
{
"id": "jvasp-92402",
"created_at": "2022-09-04T14:36:11.090500Z",
"updated_at": "2022-09-04T14:36:11.090519Z",
"structure_string": "Pr1 Ni2 Sb2\n1.0\n4.071814 0.000000 -1.642787\n-0.662789 4.017509 -1.642788\n0.128308 0.151210 6.185615\nPr Ni Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.750000 0.250000 0.499999 Ni\n0.250000 0.750000 0.499999 Ni\n0.363121 0.363121 0.726241 Sb\n0.636879 0.636879 0.273758 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Ni",
"Sb"
],
"chemical_system": "Ni-Pr-Sb",
"density": 8.073612490534543,
"density_atomic": 0.048444630158114586,
"volume": 103.21061351239335,
"volume_molar": 12.430976849951813,
"formula_full": "Pr1 Ni2 Sb2",
"formula_reduced": "Pr(NiSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.3716913699999995,
"spacegroup": 139
},
{
"id": "jvasp-87096",
"created_at": "2022-09-04T14:36:11.138089Z",
"updated_at": "2022-09-04T14:36:11.138115Z",
"structure_string": "Rb4 Mn2 Se4\n1.0\n6.099670 0.000000 -2.577445\n-1.330325 6.374009 -3.148289\n-0.031771 0.054387 8.431142\nRb Mn Se\n4 2 4\ndirect\n0.646992 0.811957 0.293985 Rb\n0.353009 0.188044 0.706016 Rb\n0.853009 0.517974 0.706016 Rb\n0.146992 0.482027 0.293985 Rb\n0.750000 -0.000000 0.000000 Mn\n0.250000 -0.000000 0.000000 Mn\n0.602283 0.291100 0.204566 Se\n0.897717 0.086534 0.795435 Se\n0.102284 0.913466 0.204566 Se\n0.397718 0.708900 0.795434 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Se"
],
"chemical_system": "Mn-Rb-Se",
"density": 3.8800130824263497,
"density_atomic": 0.0304408179310626,
"volume": 328.50628464210024,
"volume_molar": 19.78311086659354,
"formula_full": "Rb4 Mn2 Se4",
"formula_reduced": "Rb2MnSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9042527949425284,
"spacegroup": 72
},
{
"id": "jvasp-3015",
"created_at": "2022-09-04T14:36:31.345112Z",
"updated_at": "2022-09-04T14:36:31.345137Z",
"structure_string": "Th1 Cu2 P2\n1.0\n2.022283 -3.502698 0.000000\n2.022283 3.502698 0.000000\n0.000000 0.000000 6.506527\nTh Cu P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.666666 0.333332 0.640554 Cu\n0.333332 0.666666 0.359447 Cu\n0.666666 0.333332 0.267120 P\n0.333332 0.666666 0.732881 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"Cu",
"P"
],
"chemical_system": "Cu-P-Th",
"density": 7.585555015544555,
"density_atomic": 0.05424330550699628,
"volume": 92.1772733661134,
"volume_molar": 11.102090301674679,
"formula_full": "Th1 Cu2 P2",
"formula_reduced": "Th(CuP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6487495,
"spacegroup": 164
},
{
"id": "jvasp-86510",
"created_at": "2022-09-04T14:36:10.945795Z",
"updated_at": "2022-09-04T14:36:10.945823Z",
"structure_string": "Lu1 Si2 Cu2\n1.0\n3.694904 -0.000000 -1.344150\n-0.488982 3.662405 -1.344150\n-0.007891 -0.009014 5.728803\nLu Si Cu\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.615870 0.615870 0.231739 Si\n0.384130 0.384130 0.768260 Si\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Lu",
"Si",
"Cu"
],
"chemical_system": "Cu-Lu-Si",
"density": 7.682092450722734,
"density_atomic": 0.06457114435638144,
"volume": 77.43396914888129,
"volume_molar": 9.32636523640121,
"formula_full": "Lu1 Si2 Cu2",
"formula_reduced": "Lu(CuSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.33968477,
"spacegroup": 139
},
{
"id": "jvasp-97797",
"created_at": "2022-09-04T14:36:10.856258Z",
"updated_at": "2022-09-04T14:36:10.856283Z",
"structure_string": "Nd4 In2 Ge4\n1.0\n4.322433 0.000000 0.000000\n0.000000 7.606380 0.000000\n-0.000000 0.000000 7.606380\nNd In Ge\n4 2 4\ndirect\n0.500000 0.819883 0.319883 Nd\n0.500000 0.680117 0.819883 Nd\n0.500000 0.319883 0.180117 Nd\n0.500000 0.180117 0.680117 Nd\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.118325 0.381675 Ge\n0.000000 0.381675 0.881675 Ge\n0.000000 0.618325 0.118325 Ge\n0.000000 0.881675 0.618325 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nd",
"In",
"Ge"
],
"chemical_system": "Ge-In-Nd",
"density": 7.285113798836944,
"density_atomic": 0.039986711890269484,
"volume": 250.0830782846498,
"volume_molar": 15.060354991242603,
"formula_full": "Nd4 In2 Ge4",
"formula_reduced": "Nd2InGe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7800589739999999,
"spacegroup": 127
}
]
}