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=159",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=157",
"results": [
{
"id": "jvasp-11110",
"created_at": "2022-09-04T14:38:32.968493Z",
"updated_at": "2022-09-04T14:38:32.968520Z",
"structure_string": "Ca6 N4\n1.0\n1.945429 -3.369582 0.000000\n1.945429 3.369582 0.000000\n0.000000 0.000000 12.768970\nCa N\n6 4\ndirect\n0.000000 0.000000 0.250000 Ca\n0.000000 0.000000 0.750000 Ca\n0.333333 0.666667 0.412375 Ca\n0.666667 0.333333 0.912375 Ca\n0.666667 0.333333 0.587625 Ca\n0.333333 0.666667 0.087625 Ca\n0.333333 0.666667 0.750000 N\n0.666667 0.333333 0.250000 N\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ca",
"N"
],
"chemical_system": "Ca-N",
"density": 2.9409585334058437,
"density_atomic": 0.059734154742726184,
"volume": 167.40841220688233,
"volume_molar": 10.081570227179476,
"formula_full": "Ca6 N4",
"formula_reduced": "Ca3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.7478655520000002,
"spacegroup": 194
},
{
"id": "jvasp-20113",
"created_at": "2022-09-04T14:38:34.627521Z",
"updated_at": "2022-09-04T14:38:34.627547Z",
"structure_string": "Nd16 O24\n1.0\n9.116428 -0.000000 -3.223143\n-4.558214 7.895058 -3.223143\n-0.000000 -0.000000 9.669431\nNd O\n16 24\ndirect\n0.500000 0.500000 0.500000 Nd\n0.250000 0.719541 0.469542 Nd\n0.030459 0.750000 0.780459 Nd\n0.780459 0.030459 0.750000 Nd\n0.469542 0.250000 0.719542 Nd\n0.719542 0.469541 0.250001 Nd\n0.750000 0.280459 0.530459 Nd\n0.750001 0.780459 0.030459 Nd\n0.219542 0.969542 0.250001 Nd\n0.530459 0.750000 0.280459 Nd\n0.280459 0.530459 0.750000 Nd\n0.250000 0.219541 0.969541 Nd\n0.000000 0.500000 0.000000 Nd\n0.500000 0.000000 0.000000 Nd\n0.969542 0.250000 0.219542 Nd\n0.000000 0.000000 0.500000 Nd\n0.959353 0.728716 0.987661 O\n0.540648 0.528308 0.769364 O\n0.241056 0.971692 0.512340 O\n0.730636 0.258944 0.771284 O\n0.028308 0.487661 0.758945 O\n0.987661 0.959352 0.728717 O\n0.228716 0.269364 0.741056 O\n0.271284 0.012340 0.040648 O\n0.230636 0.459352 0.471692 O\n0.459353 0.471692 0.230637 O\n0.758945 0.028308 0.487661 O\n0.269364 0.741056 0.228717 O\n0.040648 0.271284 0.012340 O\n0.258945 0.771284 0.730637 O\n0.487661 0.758945 0.028309 O\n0.012340 0.040648 0.271284 O\n0.471692 0.230636 0.459353 O\n0.971692 0.512340 0.241056 O\n0.771284 0.730636 0.258945 O\n0.728717 0.987661 0.959353 O\n0.769364 0.540648 0.528309 O\n0.528309 0.769364 0.540648 O\n0.741056 0.228716 0.269364 O\n0.512340 0.241056 0.971692 O\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Nd",
"O"
],
"chemical_system": "Nd-O",
"density": 6.4227383414810575,
"density_atomic": 0.05747500814369138,
"volume": 695.9546643298826,
"volume_molar": 10.477842377932761,
"formula_full": "Nd16 O24",
"formula_reduced": "Nd2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.6285447,
"spacegroup": 206
},
{
"id": "jvasp-20809",
"created_at": "2022-09-04T14:38:34.887541Z",
"updated_at": "2022-09-04T14:38:34.887568Z",
"structure_string": "Cr4 Se6\n1.0\n5.619779 0.000610 3.973653\n2.057282 5.229675 3.973653\n0.000896 0.000611 6.882720\nCr Se\n4 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.499999 Cr\n0.324792 0.324792 0.324792 Cr\n0.675208 0.675208 0.675207 Cr\n0.593014 0.907485 0.257215 Se\n0.257216 0.593014 0.907483 Se\n0.907484 0.257216 0.593013 Se\n0.406987 0.092516 0.742784 Se\n0.742784 0.406986 0.092515 Se\n0.092516 0.742785 0.406985 Se\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Cr",
"Se"
],
"chemical_system": "Cr-Se",
"density": 5.5974952058585865,
"density_atomic": 0.04944507654885711,
"volume": 202.24460548906043,
"volume_molar": 12.179454822057908,
"formula_full": "Cr4 Se6",
"formula_reduced": "Cr2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.8271609800000004,
"spacegroup": 148
},
{
"id": "jvasp-49228",
"created_at": "2022-09-04T14:38:36.195165Z",
"updated_at": "2022-09-04T14:38:36.195191Z",
"structure_string": "Tb8 Se12\n1.0\n4.031983 -0.000000 0.000000\n0.000000 10.972406 0.000000\n0.000000 0.000000 11.169463\nTb Se\n8 12\ndirect\n0.250000 0.187370 0.486804 Tb\n0.749999 0.812630 0.513196 Tb\n0.749999 0.687370 0.013196 Tb\n0.250000 0.312630 0.986803 Tb\n0.250000 0.998605 0.806006 Tb\n0.749999 0.001395 0.193994 Tb\n0.749999 0.498605 0.693994 Tb\n0.250000 0.501396 0.306006 Tb\n0.749999 0.443762 0.118994 Se\n0.250000 0.556238 0.881006 Se\n0.250000 0.874595 0.044888 Se\n0.749999 0.125405 0.955111 Se\n0.749999 0.374595 0.455112 Se\n0.749999 0.696825 0.273447 Se\n0.250000 0.196825 0.226553 Se\n0.749999 0.803175 0.773447 Se\n0.749999 0.056238 0.618993 Se\n0.250000 0.303175 0.726553 Se\n0.250000 0.625405 0.544888 Se\n0.250000 0.943762 0.381006 Se\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Tb",
"Se"
],
"chemical_system": "Se-Tb",
"density": 7.456558595958803,
"density_atomic": 0.04047409442597092,
"volume": 494.14323615271906,
"volume_molar": 14.879000618567977,
"formula_full": "Tb8 Se12",
"formula_reduced": "Tb2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.10509138,
"spacegroup": 62
},
{
"id": "jvasp-20180",
"created_at": "2022-09-04T14:38:34.642245Z",
"updated_at": "2022-09-04T14:38:34.642260Z",
"structure_string": "Tl16 O24\n1.0\n8.761229 0.000000 -3.097562\n-4.380614 7.587447 -3.097562\n-0.000000 -0.000000 9.292686\nTl O\n16 24\ndirect\n0.250001 0.717737 0.467738 Tl\n0.500000 0.500000 0.500001 Tl\n0.000000 0.000000 0.500000 Tl\n0.500000 -0.000000 0.000000 Tl\n0.000000 0.500000 0.000000 Tl\n0.250000 0.217737 0.967737 Tl\n0.532264 0.750000 0.282264 Tl\n0.282264 0.532263 0.750001 Tl\n0.967737 0.250000 0.217737 Tl\n0.750000 0.282263 0.532264 Tl\n0.750001 0.782263 0.032264 Tl\n0.717737 0.467737 0.250001 Tl\n0.467737 0.250000 0.717737 Tl\n0.782263 0.032263 0.750001 Tl\n0.217738 0.967737 0.250001 Tl\n0.032264 0.750000 0.782264 Tl\n0.228671 0.457406 0.463410 O\n0.036591 0.493996 0.765261 O\n0.228735 0.271330 0.734740 O\n0.271265 0.006004 0.042595 O\n0.536591 0.771330 0.542595 O\n0.271330 0.734740 0.228736 O\n0.993997 0.957406 0.728736 O\n0.265261 0.771265 0.728671 O\n0.506004 0.234740 0.963410 O\n0.957406 0.728735 0.993997 O\n0.728671 0.265261 0.771265 O\n0.234740 0.963410 0.506005 O\n0.542595 0.536590 0.771330 O\n0.765261 0.036590 0.493996 O\n0.771330 0.542595 0.536591 O\n0.771265 0.728671 0.265261 O\n0.963410 0.506004 0.234740 O\n0.463410 0.228670 0.457406 O\n0.006004 0.042594 0.271265 O\n0.734740 0.228735 0.271330 O\n0.493996 0.765261 0.036591 O\n0.042595 0.271265 0.006004 O\n0.728736 0.993996 0.957407 O\n0.457406 0.463410 0.228671 O\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Tl",
"O"
],
"chemical_system": "O-Tl",
"density": 9.82267438182488,
"density_atomic": 0.06475272151820545,
"volume": 617.7346536508719,
"volume_molar": 9.300212591538497,
"formula_full": "Tl16 O24",
"formula_reduced": "Tl2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.11201114,
"spacegroup": 206
},
{
"id": "jvasp-12786",
"created_at": "2022-09-04T14:38:36.185861Z",
"updated_at": "2022-09-04T14:38:36.185897Z",
"structure_string": "Y4 Cl6\n1.0\n3.759191 -0.000000 0.772243\n1.415000 7.170639 2.647723\n-0.004876 0.019940 9.559523\nY Cl\n4 6\ndirect\n0.137235 0.019504 0.706024 Y\n0.862763 0.980496 0.293975 Y\n0.410874 0.230769 0.947480 Y\n0.589125 0.769231 0.052519 Y\n0.950922 0.367316 0.730837 Cl\n0.049077 0.632684 0.269163 Cl\n0.770933 0.340767 0.117365 Cl\n0.229065 0.659233 0.882635 Cl\n0.342247 0.803734 0.511770 Cl\n0.657752 0.196266 0.488230 Cl\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Y",
"Cl"
],
"chemical_system": "Cl-Y",
"density": 3.6645635281266835,
"density_atomic": 0.038829684759842435,
"volume": 257.53492622587487,
"volume_molar": 15.50911576348434,
"formula_full": "Y4 Cl6",
"formula_reduced": "Y2Cl3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.9088386205,
"spacegroup": 12
},
{
"id": "jvasp-49248",
"created_at": "2022-09-04T14:38:32.279149Z",
"updated_at": "2022-09-04T14:38:32.279174Z",
"structure_string": "Sc8 C12\n1.0\n6.280595 -0.000000 -2.220526\n-3.140297 5.439155 -2.220526\n0.000000 -0.000000 6.661577\nSc C\n8 12\ndirect\n0.100372 0.100372 0.100372 Sc\n-0.000001 0.899628 0.499999 Sc\n0.500000 0.000000 0.899629 Sc\n-0.000000 0.399628 0.500000 Sc\n0.500000 0.000000 0.399628 Sc\n0.399628 0.500000 -0.000001 Sc\n0.600372 0.600371 0.600371 Sc\n0.899629 0.500000 -0.000001 Sc\n0.788698 0.038698 0.750000 C\n0.038697 0.749999 0.788697 C\n0.750000 0.788697 0.038696 C\n0.711302 0.461302 0.249999 C\n0.250000 0.711302 0.461302 C\n0.961303 0.211302 0.750000 C\n0.211302 0.749999 0.961302 C\n0.538698 0.288697 0.250000 C\n0.288698 0.250000 0.538697 C\n0.750000 0.961301 0.211301 C\n0.250000 0.538697 0.288697 C\n0.461302 0.250000 0.711302 C\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sc",
"C"
],
"chemical_system": "C-Sc",
"density": 3.6760129506396395,
"density_atomic": 0.08788620653103155,
"volume": 227.56699588505103,
"volume_molar": 6.852202407750591,
"formula_full": "Sc8 C12",
"formula_reduced": "Sc2C3",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.8814841,
"spacegroup": 220
},
{
"id": "jvasp-98125",
"created_at": "2022-09-04T14:35:44.924687Z",
"updated_at": "2022-09-04T14:35:44.924700Z",
"structure_string": "Bi8 O12\n1.0\n5.527593 0.000000 0.000000\n-0.000000 8.238942 0.000000\n0.000000 0.000000 8.238942\nBi O\n8 12\ndirect\n0.219633 0.250984 0.514985 Bi\n0.780366 0.514985 0.749016 Bi\n0.219633 0.749016 0.485015 Bi\n0.219633 0.750984 0.985014 Bi\n0.219633 0.249016 0.014985 Bi\n0.780366 0.014985 0.750984 Bi\n0.780366 0.985014 0.249016 Bi\n0.780366 0.485015 0.250984 Bi\n0.000000 0.752072 0.252073 O\n0.500000 0.374283 0.125717 O\n0.500000 0.625717 0.874283 O\n0.500000 0.000000 0.000000 O\n0.000000 0.247927 0.747927 O\n0.500000 0.125717 0.625717 O\n0.000000 0.500000 0.000000 O\n0.000000 0.747927 0.752072 O\n0.000000 0.000000 0.500000 O\n0.000000 0.252073 0.247927 O\n0.500000 0.874283 0.374283 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 8.248554421006222,
"density_atomic": 0.05330292558678556,
"volume": 375.2139264370555,
"volume_molar": 11.297955400581168,
"formula_full": "Bi8 O12",
"formula_reduced": "Bi2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.70285382,
"spacegroup": 117
},
{
"id": "jvasp-86687",
"created_at": "2022-09-04T14:35:45.061058Z",
"updated_at": "2022-09-04T14:35:45.061077Z",
"structure_string": "Ca9 N6\n1.0\n3.776799 0.000000 -0.000000\n-1.888400 7.324726 -1.359181\n-0.000000 0.013970 9.306858\nCa N\n9 6\ndirect\n0.126871 0.253742 0.278626 Ca\n0.790466 0.580931 0.378615 Ca\n0.827811 0.655622 0.034964 Ca\n0.209535 0.419070 0.621385 Ca\n0.172189 0.344378 0.965036 Ca\n0.873130 0.746259 0.721374 Ca\n0.469621 0.939241 0.340449 Ca\n0.500000 -0.000000 -0.000000 Ca\n0.530380 0.060760 0.659551 Ca\n0.359073 0.718145 0.512239 N\n0.030691 0.061383 0.811904 N\n0.969309 0.938617 0.188097 N\n0.317709 0.635419 0.869376 N\n0.640927 0.281855 0.487761 N\n0.682291 0.364582 0.130625 N\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Ca",
"N"
],
"chemical_system": "Ca-N",
"density": 2.867597180761956,
"density_atomic": 0.05824410367903749,
"volume": 257.53679862016,
"volume_molar": 10.33948568113585,
"formula_full": "Ca9 N6",
"formula_reduced": "Ca3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.718789552,
"spacegroup": 12
},
{
"id": "jvasp-98405",
"created_at": "2022-09-04T14:35:42.325865Z",
"updated_at": "2022-09-04T14:35:42.325890Z",
"structure_string": "Cd24 N16\n1.0\n8.950036 0.000000 -3.164316\n-4.475017 7.750958 -3.164316\n-0.000000 -0.000000 9.492947\nCd N\n24 16\ndirect\n0.755455 0.030540 0.476978 Cd\n0.476978 0.755455 0.030540 Cd\n0.969460 0.523022 0.244545 Cd\n0.255455 0.778477 0.724914 Cd\n0.446438 0.469460 0.224914 Cd\n0.023022 0.053562 0.278476 Cd\n0.778477 0.724915 0.255454 Cd\n0.775086 0.553562 0.530540 Cd\n0.553562 0.530540 0.775086 Cd\n0.469460 0.224914 0.446438 Cd\n0.721524 0.976979 0.946438 Cd\n0.976979 0.946438 0.721523 Cd\n0.278477 0.023022 0.053562 Cd\n0.523022 0.244545 0.969460 Cd\n0.724915 0.255455 0.778476 Cd\n0.221524 0.275086 0.744545 Cd\n0.744546 0.221524 0.275085 Cd\n0.030540 0.476978 0.755455 Cd\n0.275086 0.744545 0.221523 Cd\n0.244545 0.969460 0.523021 Cd\n0.946438 0.721524 0.976978 Cd\n0.224914 0.446438 0.469460 Cd\n0.530540 0.775086 0.553562 Cd\n0.053562 0.278477 0.023022 Cd\n0.500000 0.500000 0.500000 N\n0.278533 0.528533 0.750000 N\n0.750000 0.778533 0.028532 N\n0.528533 0.750000 0.278532 N\n0.721468 0.471468 0.250000 N\n0.028533 0.750000 0.778533 N\n0.750000 0.278533 0.528532 N\n0.778533 0.028533 0.750000 N\n0.250000 0.721468 0.471467 N\n0.471468 0.250000 0.721467 N\n0.971468 0.250000 0.221467 N\n0.250000 0.221467 0.971468 N\n0.221467 0.971468 0.250000 N\n0.500000 -0.000000 -0.000000 N\n0.000000 0.000000 0.500000 N\n-0.000000 0.500000 -0.000000 N\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Cd",
"N"
],
"chemical_system": "Cd-N",
"density": 7.367901420777007,
"density_atomic": 0.06074055689126113,
"volume": 658.5385786239784,
"volume_molar": 9.914530040909813,
"formula_full": "Cd24 N16",
"formula_reduced": "Cd3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.0751931499999998,
"spacegroup": 206
},
{
"id": "jvasp-97658",
"created_at": "2022-09-04T14:35:46.563608Z",
"updated_at": "2022-09-04T14:35:46.563634Z",
"structure_string": "Pb8 O12\n1.0\n5.763583 -0.798734 0.000462\n-0.969994 6.708040 -0.000085\n-0.000498 -0.000195 8.226025\nPb O\n8 12\ndirect\n-0.000001 0.000011 0.250000 Pb\n0.537649 0.140789 0.500007 Pb\n0.000007 0.500003 0.749992 Pb\n0.462356 0.859194 0.000011 Pb\n0.462345 0.359198 -0.000020 Pb\n-0.000017 -0.000007 0.750009 Pb\n-0.000002 0.500005 0.250002 Pb\n0.537641 0.640806 0.499987 Pb\n0.256463 0.811950 0.288940 O\n0.256461 0.311949 0.288954 O\n0.743540 0.688048 0.788952 O\n0.256457 0.311925 0.711055 O\n0.743547 0.688065 0.211059 O\n0.256454 0.811941 0.711050 O\n-0.155145 0.961677 0.500003 O\n0.743534 0.188055 0.788945 O\n0.155157 0.538332 -0.000003 O\n0.844859 0.461671 0.499999 O\n0.743542 0.188055 0.211053 O\n0.155150 0.038331 0.000001 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Pb",
"O"
],
"chemical_system": "O-Pb",
"density": 9.854585267621616,
"density_atomic": 0.06417163781514315,
"volume": 311.66416630370657,
"volume_molar": 9.384427396644849,
"formula_full": "Pb8 O12",
"formula_reduced": "Pb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.4234724279999995,
"spacegroup": 63
},
{
"id": "jvasp-63631",
"created_at": "2022-09-04T14:35:45.802899Z",
"updated_at": "2022-09-04T14:35:45.802923Z",
"structure_string": "Rb2 Au3\n1.0\n-2.519072 2.780331 5.231746\n2.519072 -2.780331 5.231746\n2.519072 2.780331 -5.231746\nRb Au\n2 3\ndirect\n0.303026 0.803026 0.500000 Rb\n0.696974 0.196974 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.746739 0.500000 0.246738 Au\n0.253262 0.500000 0.753261 Au\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Rb",
"Au"
],
"chemical_system": "Au-Rb",
"density": 8.631106363224115,
"density_atomic": 0.03411349997449625,
"volume": 146.5695400277917,
"volume_molar": 17.653248023516316,
"formula_full": "Rb2 Au3",
"formula_reduced": "Rb2Au3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.0966035139999999,
"spacegroup": 71
}
]
}