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=460",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=458",
"results": [
{
"id": "jvasp-539",
"created_at": "2022-09-04T14:35:46.788823Z",
"updated_at": "2022-09-04T14:35:46.788834Z",
"structure_string": "Cr1 Se2\n1.0\n1.758488 -3.045665 -0.000044\n1.758488 3.045665 0.000044\n0.000000 0.000088 5.710350\nCr Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.333321 0.666680 0.252824 Se\n0.666679 0.333322 0.747176 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cr",
"Se"
],
"chemical_system": "Cr-Se",
"density": 5.698762810617125,
"density_atomic": 0.049046383505480594,
"volume": 61.16658937074883,
"volume_molar": 12.278460366658978,
"formula_full": "Cr1 Se2",
"formula_reduced": "CrSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0849247111111118,
"spacegroup": 164
},
{
"id": "jvasp-85324",
"created_at": "2022-09-04T14:35:43.846580Z",
"updated_at": "2022-09-04T14:35:43.846608Z",
"structure_string": "Sm6 Ge10\n1.0\n5.577359 -0.000095 1.860263\n2.788559 7.011356 0.930133\n-0.001480 0.000002 9.297806\nSm Ge\n6 10\ndirect\n0.249388 0.501197 0.500007 Sm\n0.666079 0.986354 0.663070 Sm\n0.999405 0.001180 -0.000004 Sm\n0.579145 0.486358 0.836920 Sm\n0.347561 0.986351 0.336933 Sm\n0.934488 0.486358 0.163073 Sm\n0.388547 0.687995 0.135893 Ge\n0.923497 0.687961 0.864070 Ge\n0.916273 0.826356 0.325587 Ge\n0.037615 0.187944 0.635947 Ge\n0.491844 0.326366 0.174409 Ge\n0.448593 0.102782 0.000017 Ge\n0.257406 0.826334 0.674425 Ge\n0.774414 0.187975 0.364081 Ge\n0.181824 0.326337 0.825586 Ge\n0.698624 0.602748 0.499982 Ge\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sm",
"Ge"
],
"chemical_system": "Ge-Sm",
"density": 7.43730793066853,
"density_atomic": 0.04400306061740745,
"volume": 363.61107103696463,
"volume_molar": 13.685731572993502,
"formula_full": "Sm6 Ge10",
"formula_reduced": "Sm3Ge5",
"formula_anonymous": "A3B5",
"energy_above_hull": 1.1568382968749995,
"spacegroup": 43
},
{
"id": "jvasp-5281",
"created_at": "2022-09-04T14:35:42.952146Z",
"updated_at": "2022-09-04T14:35:42.952162Z",
"structure_string": "Si4 H16\n1.0\n0.000000 7.393492 0.065426\n4.740377 0.000000 0.000000\n0.000000 -1.824042 -7.267587\nSi H\n4 16\ndirect\n0.248508 0.063323 0.846100 Si\n0.751492 0.563323 0.653900 Si\n0.751492 0.936678 0.153899 Si\n0.248508 0.436677 0.346100 Si\n0.589230 0.089986 0.193884 H\n0.410769 0.589986 0.306116 H\n0.300602 0.365469 0.888371 H\n0.699399 0.865469 0.611630 H\n0.699398 0.634532 0.111629 H\n0.300601 0.134532 0.388370 H\n0.085285 0.046200 0.681317 H\n0.914715 0.953800 0.318683 H\n0.589231 0.410015 0.693884 H\n0.085285 0.453800 0.181317 H\n0.198136 0.568988 0.508162 H\n0.801864 0.068987 0.991838 H\n0.801864 0.431013 0.491838 H\n0.198136 0.931013 0.008162 H\n0.914715 0.546201 0.818683 H\n0.410770 0.910015 0.806116 H\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Si",
"H"
],
"chemical_system": "H-Si",
"density": 0.8393836025485371,
"density_atomic": 0.07869423182316994,
"volume": 254.14823344284048,
"volume_molar": 7.652582178490624,
"formula_full": "Si4 H16",
"formula_reduced": "SiH4",
"formula_anonymous": "AB4",
"energy_above_hull": 2.85785172,
"spacegroup": 14
},
{
"id": "jvasp-92271",
"created_at": "2022-09-04T14:35:45.788614Z",
"updated_at": "2022-09-04T14:35:45.788654Z",
"structure_string": "Mg6 Bi2\n1.0\n3.463743 0.000000 0.000000\n0.000000 10.600543 0.000000\n0.000000 0.000000 5.492617\nMg Bi\n6 2\ndirect\n0.000000 0.500000 0.665099 Mg\n0.500000 0.748169 0.500106 Mg\n0.000000 0.751831 0.000106 Mg\n0.500000 0.000000 0.165099 Mg\n0.000000 0.248169 0.000106 Mg\n0.500000 0.251831 0.500106 Mg\n0.500000 0.500000 0.168025 Bi\n0.000000 0.000000 0.668025 Bi\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg",
"density": 4.642094661146036,
"density_atomic": 0.03966768876728985,
"volume": 201.6754756479998,
"volume_molar": 15.181476277402588,
"formula_full": "Mg6 Bi2",
"formula_reduced": "Mg3Bi",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2157963285714286,
"spacegroup": 44
},
{
"id": "jvasp-91653",
"created_at": "2022-09-04T14:35:43.854654Z",
"updated_at": "2022-09-04T14:35:43.854680Z",
"structure_string": "Mg6 In2\n1.0\n0.000000 -0.000000 -5.233027\n-3.157523 -5.468946 -0.000000\n-3.157523 5.468946 0.000000\nMg In\n6 2\ndirect\n0.750000 0.166315 0.332624 Mg\n0.750000 0.166311 0.833689 Mg\n0.750000 0.667375 0.833684 Mg\n0.250000 0.833684 0.667375 Mg\n0.250000 0.833689 0.166311 Mg\n0.250000 0.332624 0.166315 Mg\n0.750000 0.666669 0.333330 In\n0.250000 0.333330 0.666669 In\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"In"
],
"chemical_system": "In-Mg",
"density": 3.449741746972263,
"density_atomic": 0.04426463198924986,
"volume": 180.73119871284337,
"volume_molar": 13.60485897965342,
"formula_full": "Mg6 In2",
"formula_reduced": "Mg3In",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0751783333333333,
"spacegroup": 194
},
{
"id": "jvasp-28397",
"created_at": "2022-09-04T14:35:41.296429Z",
"updated_at": "2022-09-04T14:35:41.296449Z",
"structure_string": "Si4 S4\n1.0\n0.000000 -3.958761 0.000000\n-6.655928 0.000000 0.000000\n0.000000 0.000000 -23.940451\nSi S\n4 4\ndirect\n0.000000 0.000000 0.521726 Si\n0.000000 0.500000 0.521726 Si\n0.500000 0.000000 0.466184 Si\n0.500000 0.500000 0.466184 Si\n0.052490 0.750000 0.579275 S\n0.947510 0.250000 0.579275 S\n0.447487 0.750000 0.408634 S\n0.552513 0.250000 0.408634 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"S"
],
"chemical_system": "S-Si",
"density": 0.6333563140799838,
"density_atomic": 0.012682058755762712,
"volume": 630.8124062557911,
"volume_molar": 47.48551379533348,
"formula_full": "Si4 S4",
"formula_reduced": "SiS",
"formula_anonymous": "AB",
"energy_above_hull": 1.4818842999999997,
"spacegroup": 53
},
{
"id": "jvasp-90566",
"created_at": "2022-09-04T14:35:45.345894Z",
"updated_at": "2022-09-04T14:35:45.345915Z",
"structure_string": "Mg6 Zn2\n1.0\n3.180135 0.000000 0.000000\n0.000000 9.835064 0.000000\n0.000000 0.000000 5.229903\nMg Zn\n6 2\ndirect\n0.000000 0.000000 0.370030 Mg\n0.000000 0.768061 0.980083 Mg\n0.500001 0.731938 0.480083 Mg\n0.500001 0.500000 0.870030 Mg\n0.500001 0.268062 0.480083 Mg\n0.000000 0.231938 0.980083 Mg\n0.500001 0.000000 0.836469 Zn\n0.000000 0.500000 0.336469 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 2.8084083224286482,
"density_atomic": 0.048907290810171554,
"volume": 163.5747936039056,
"volume_molar": 12.31338039838334,
"formula_full": "Mg6 Zn2",
"formula_reduced": "Mg3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.151660294117647,
"spacegroup": 44
},
{
"id": "jvasp-62131",
"created_at": "2022-09-04T14:35:45.917408Z",
"updated_at": "2022-09-04T14:35:45.917438Z",
"structure_string": "Sc1 Au4\n1.0\n-3.323170 3.323170 2.040986\n3.323170 -3.323170 2.040986\n3.323170 3.323170 -2.040986\nSc Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Sc\n0.397708 0.203591 0.601299 Au\n0.602293 0.796410 0.398701 Au\n0.203591 0.602292 0.805882 Au\n0.796410 0.397709 0.194118 Au\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Sc",
"Au"
],
"chemical_system": "Au-Sc",
"density": 15.338971846005096,
"density_atomic": 0.055458085131037616,
"volume": 90.15817960872408,
"volume_molar": 10.858904965381962,
"formula_full": "Sc1 Au4",
"formula_reduced": "ScAu4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.8024611059999999,
"spacegroup": 87
},
{
"id": "jvasp-91530",
"created_at": "2022-09-04T14:35:41.132405Z",
"updated_at": "2022-09-04T14:35:41.132432Z",
"structure_string": "Er2 Sn6\n1.0\n4.404487 0.000000 0.000000\n0.000000 4.436345 -0.000003\n0.000000 -2.218181 11.026896\nEr Sn\n2 6\ndirect\n0.500000 0.482203 0.964403 Er\n0.000000 0.209422 0.418851 Er\n0.500000 0.098287 0.196535 Sn\n0.500000 0.734361 0.468736 Sn\n0.500000 0.869302 0.738642 Sn\n0.000000 0.976214 0.952414 Sn\n0.000000 0.357916 0.715848 Sn\n0.000000 0.598304 0.196570 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Er",
"Sn"
],
"chemical_system": "Er-Sn",
"density": 8.067329947398585,
"density_atomic": 0.037129245373813194,
"volume": 215.46357647339374,
"volume_molar": 16.219399827197517,
"formula_full": "Er2 Sn6",
"formula_reduced": "ErSn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.565676275,
"spacegroup": 38
},
{
"id": "jvasp-62982",
"created_at": "2022-09-04T14:35:42.985577Z",
"updated_at": "2022-09-04T14:35:42.985605Z",
"structure_string": "Au6 F18\n1.0\n2.547289 -4.412034 0.000000\n2.547289 4.412034 -0.000000\n-0.000000 -0.000000 16.628551\nAu F\n6 18\ndirect\n0.516821 0.758411 0.583333 Au\n0.241590 0.483180 0.250000 Au\n0.241590 0.758411 0.916667 Au\n0.483180 0.241590 0.083333 Au\n0.758411 0.516821 0.750000 Au\n0.758411 0.241590 0.416667 Au\n0.789828 0.317712 0.004485 F\n0.472117 0.789828 0.171152 F\n0.317712 0.527883 0.837818 F\n0.210172 0.682289 0.504485 F\n0.210172 0.527883 0.662182 F\n0.472117 0.682289 0.995515 F\n0.317712 0.789828 0.328848 F\n0.789828 0.472117 0.162182 F\n0.842278 0.842278 0.666667 F\n0.682289 0.210172 0.828848 F\n0.682289 0.472117 0.337818 F\n0.157722 0.000000 0.000000 F\n0.000000 0.157722 0.333333 F\n0.157722 0.157722 0.166667 F\n0.842278 0.000001 0.500000 F\n0.000001 0.842278 0.833333 F\n0.527883 0.317712 0.495515 F\n0.527883 0.210172 0.671152 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Au",
"F"
],
"chemical_system": "Au-F",
"density": 6.769665883928107,
"density_atomic": 0.06421104953668551,
"volume": 373.7674461509643,
"volume_molar": 9.378667384278447,
"formula_full": "Au6 F18",
"formula_reduced": "AuF3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.499999999997174e-05,
"spacegroup": 178
},
{
"id": "jvasp-94351",
"created_at": "2022-09-04T14:35:40.739447Z",
"updated_at": "2022-09-04T14:35:40.739475Z",
"structure_string": "Mg3 Sn3\n1.0\n3.382623 -0.000000 0.000000\n-1.691312 2.929438 0.000000\n-0.000000 -0.000000 15.214237\nMg Sn\n3 3\ndirect\n0.000000 0.000000 0.163755 Mg\n0.333333 0.666667 0.325141 Mg\n0.000000 0.000000 0.841310 Mg\n0.333333 0.666667 0.001897 Sn\n0.000000 0.000000 0.488930 Sn\n0.333333 0.666667 0.678967 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 4.725675071865612,
"density_atomic": 0.039798175685952585,
"volume": 150.76067926695941,
"volume_molar": 15.131700526980719,
"formula_full": "Mg3 Sn3",
"formula_reduced": "MgSn",
"formula_anonymous": "AB",
"energy_above_hull": 0.3097228714285714,
"spacegroup": 156
},
{
"id": "jvasp-5170",
"created_at": "2022-09-04T14:35:42.398026Z",
"updated_at": "2022-09-04T14:35:42.398045Z",
"structure_string": "Mn2 Bi2\n1.0\n1.993163 -3.452259 0.000000\n1.993163 3.452259 0.000000\n0.000000 0.000000 7.202559\nMn Bi\n2 2\ndirect\n0.666666 0.333332 0.250000 Mn\n0.333332 0.666666 0.750000 Mn\n0.000000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Bi"
],
"chemical_system": "Bi-Mn",
"density": 8.842719105536505,
"density_atomic": 0.040354965847942084,
"volume": 99.1203911576097,
"volume_molar": 14.922923693434624,
"formula_full": "Mn2 Bi2",
"formula_reduced": "MnBi",
"formula_anonymous": "AB",
"energy_above_hull": 1.9738707706896548,
"spacegroup": 194
}
]
}