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=spacegroup&page=1049",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1047",
"results": [
{
"id": "jvasp-55758",
"created_at": "2022-09-04T14:36:52.001697Z",
"updated_at": "2022-09-04T14:36:52.001715Z",
"structure_string": "Co4 Se4 O12\n1.0\n5.062615 -0.000000 0.000000\n-0.000000 5.919114 0.000000\n0.000000 0.000000 7.525417\nCo Se O\n4 4 12\ndirect\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.017738 0.983110 0.750000 Se\n0.517737 0.516888 0.250000 Se\n0.482262 0.483111 0.750000 Se\n0.982261 0.016889 0.250000 Se\n0.826141 0.433426 0.750000 O\n0.326142 0.066574 0.250000 O\n0.863377 0.186143 0.073565 O\n0.363377 0.313856 0.926435 O\n0.636622 0.686143 0.426435 O\n0.363377 0.313856 0.573565 O\n0.136622 0.813856 0.926435 O\n0.636622 0.686143 0.073565 O\n0.673857 0.933426 0.750000 O\n0.863377 0.186143 0.426435 O\n0.136622 0.813856 0.573565 O\n0.173858 0.566573 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Co",
"Se",
"O"
],
"chemical_system": "Co-O-Se",
"density": 5.4752783077560085,
"density_atomic": 0.08868860411983033,
"volume": 225.50811570985252,
"volume_molar": 6.790208076635496,
"formula_full": "Co4 Se4 O12",
"formula_reduced": "CoSeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.372084953333333,
"spacegroup": 62
},
{
"id": "jvasp-21559",
"created_at": "2022-09-04T14:36:53.644680Z",
"updated_at": "2022-09-04T14:36:53.644691Z",
"structure_string": "Sr4 S4 O16\n1.0\n5.373796 -0.000000 0.000000\n-0.000000 6.892110 0.000000\n0.000000 0.000000 8.367036\nSr S O\n4 4 16\ndirect\n0.250000 0.342473 0.683268 Sr\n0.750001 0.657527 0.316732 Sr\n0.750001 0.842473 0.816733 Sr\n0.250000 0.157527 0.183268 Sr\n0.750001 0.316125 0.937330 S\n0.250000 0.683875 0.062671 S\n0.250000 0.816125 0.562671 S\n0.750001 0.183875 0.437329 S\n0.250000 0.958044 0.695602 O\n0.750001 0.041956 0.304398 O\n0.750001 0.410319 0.094521 O\n0.250000 0.589681 0.905479 O\n0.250000 0.910319 0.405479 O\n0.750001 0.089681 0.594521 O\n0.974937 0.310413 0.422279 O\n0.025064 0.689587 0.577721 O\n0.025064 0.810413 0.077721 O\n0.525064 0.189587 0.922280 O\n0.250000 0.541956 0.195602 O\n0.525064 0.310413 0.422279 O\n0.974937 0.189587 0.922280 O\n0.474936 0.810413 0.077721 O\n0.474936 0.689587 0.577721 O\n0.750001 0.458044 0.804399 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"S",
"O"
],
"chemical_system": "O-S-Sr",
"density": 3.937060543232387,
"density_atomic": 0.07744729042439841,
"volume": 309.88818160692193,
"volume_molar": 7.775792706238862,
"formula_full": "Sr4 S4 O16",
"formula_reduced": "SrSO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6354233850000006,
"spacegroup": 62
},
{
"id": "jvasp-47056",
"created_at": "2022-09-04T14:36:52.471173Z",
"updated_at": "2022-09-04T14:36:52.471194Z",
"structure_string": "Co4 Sn4 O12\n1.0\n5.354139 0.000057 0.000173\n-0.000075 5.411343 0.000120\n-0.000146 0.000046 7.791577\nCo Sn O\n4 4 12\ndirect\n0.025159 0.985694 0.750025 Co\n0.525154 0.514311 0.750000 Co\n0.474818 0.485721 0.250016 Co\n0.974826 0.014280 0.250006 Co\n0.499991 0.000014 0.000007 Sn\n0.500002 0.000004 0.499999 Sn\n0.999985 0.499998 0.000006 Sn\n-0.000001 0.499985 0.500002 Sn\n0.165003 0.837043 0.069204 O\n0.665040 0.662977 0.430783 O\n0.665025 0.662988 0.069237 O\n0.902367 0.628722 0.750000 O\n0.097616 0.371254 0.250001 O\n0.835017 0.162929 0.569202 O\n0.334996 0.337037 0.569210 O\n0.834965 0.162982 0.930774 O\n0.165063 0.836991 0.430746 O\n0.597618 0.128749 0.250001 O\n0.334972 0.337050 0.930784 O\n0.402370 0.871281 0.750001 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Co",
"Sn",
"O"
],
"chemical_system": "Co-O-Sn",
"density": 6.63907833717252,
"density_atomic": 0.08859514513490842,
"volume": 225.74600413538423,
"volume_molar": 6.79737106455413,
"formula_full": "Co4 Sn4 O12",
"formula_reduced": "CoSnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.07238462,
"spacegroup": 62
},
{
"id": "jvasp-45368",
"created_at": "2022-09-04T14:36:52.573202Z",
"updated_at": "2022-09-04T14:36:52.573223Z",
"structure_string": "Hg4 Se4 O12\n1.0\n6.083263 0.000000 0.000000\n0.000000 6.158976 0.000000\n0.000000 0.000000 8.322778\nHg Se O\n4 4 12\ndirect\n0.000000 0.000000 0.500000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Hg\n0.499844 0.943569 0.750000 Se\n-0.000156 0.556432 0.250000 Se\n0.000156 0.443569 0.750000 Se\n0.500156 0.056432 0.250000 Se\n0.738416 0.354954 0.750000 O\n0.238416 0.145046 0.250000 O\n0.620155 0.198874 0.086781 O\n0.120155 0.301126 0.913219 O\n0.879844 0.698875 0.413219 O\n0.120155 0.301126 0.586781 O\n0.379845 0.801126 0.913219 O\n0.879844 0.698875 0.086781 O\n0.261583 0.645047 0.250000 O\n0.620155 0.198874 0.413219 O\n0.379845 0.801126 0.586781 O\n0.761583 0.854954 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hg",
"Se",
"O"
],
"chemical_system": "Hg-O-Se",
"density": 6.977034826515268,
"density_atomic": 0.0641381723777099,
"volume": 311.8267836230184,
"volume_molar": 9.389323918579398,
"formula_full": "Hg4 Se4 O12",
"formula_reduced": "HgSeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3515636933333337,
"spacegroup": 62
},
{
"id": "jvasp-55326",
"created_at": "2022-09-04T14:36:52.834046Z",
"updated_at": "2022-09-04T14:36:52.834074Z",
"structure_string": "Li4 Co4 P4 O16\n1.0\n4.702323 -0.000000 0.000000\n-0.000000 5.899314 0.000000\n0.000000 0.000000 10.187166\nLi Co P O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.481611 0.749999 0.777746 Co\n0.981611 0.250000 0.722255 Co\n0.018388 0.749999 0.277746 Co\n0.518388 0.250000 0.222255 Co\n0.422201 0.250000 0.905623 P\n0.922201 0.749999 0.594377 P\n0.077798 0.250000 0.405623 P\n0.577798 0.749999 0.094377 P\n0.247575 0.749999 0.594749 O\n0.207688 0.250000 0.545586 O\n0.792312 0.749999 0.454414 O\n0.714268 0.542060 0.167740 O\n0.214269 0.042060 0.332260 O\n0.214269 0.457939 0.332260 O\n0.785731 0.542060 0.667740 O\n0.285731 0.457939 0.832260 O\n0.252425 0.749999 0.094749 O\n0.292312 0.250000 0.045586 O\n0.747575 0.250000 0.905252 O\n0.285731 0.042060 0.832260 O\n0.785731 0.957939 0.667740 O\n0.752424 0.250000 0.405251 O\n0.714268 0.957939 0.167740 O\n0.707687 0.749999 0.954414 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.780513599681758,
"density_atomic": 0.09908106777964583,
"volume": 282.59687372638535,
"volume_molar": 6.077993399700851,
"formula_full": "Li4 Co4 P4 O16",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.423140057142857,
"spacegroup": 62
},
{
"id": "jvasp-14262",
"created_at": "2022-09-04T14:36:53.978899Z",
"updated_at": "2022-09-04T14:36:53.978915Z",
"structure_string": "Tm8 S12\n1.0\n3.798141 -0.000000 0.000000\n-0.000000 10.358138 0.000000\n0.000000 0.000000 10.477675\nTm S\n8 12\ndirect\n0.250000 0.996801 0.807627 Tm\n0.750000 0.687068 0.011200 Tm\n0.250000 0.312932 0.988800 Tm\n0.750000 0.812932 0.511200 Tm\n0.750000 0.496800 0.692373 Tm\n0.750000 0.003200 0.192373 Tm\n0.250000 0.187068 0.488800 Tm\n0.250000 0.503200 0.307627 Tm\n0.250000 0.873414 0.045927 S\n0.250000 0.304952 0.726720 S\n0.250000 0.195048 0.226720 S\n0.250000 0.626586 0.545927 S\n0.750000 0.373414 0.454072 S\n0.250000 0.944190 0.381277 S\n0.250000 0.555811 0.881277 S\n0.750000 0.055810 0.618722 S\n0.750000 0.695048 0.273279 S\n0.750000 0.444190 0.118723 S\n0.750000 0.804952 0.773279 S\n0.750000 0.126586 0.954072 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Tm",
"S"
],
"chemical_system": "S-Tm",
"density": 6.994305175274802,
"density_atomic": 0.04851905085489275,
"volume": 412.209217773335,
"volume_molar": 12.411909660002586,
"formula_full": "Tm8 S12",
"formula_reduced": "Tm2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.3399317,
"spacegroup": 62
},
{
"id": "jvasp-52221",
"created_at": "2022-09-04T14:36:54.539404Z",
"updated_at": "2022-09-04T14:36:54.539422Z",
"structure_string": "Li8 Ag4 F12\n1.0\n5.324380 0.000000 0.000000\n-0.000000 5.444318 0.000000\n0.000000 0.000000 9.112792\nLi Ag F\n8 4 12\ndirect\n0.965506 0.000216 0.838945 Li\n0.965506 0.499785 0.838945 Li\n0.465506 0.500216 0.661055 Li\n0.465506 0.999785 0.661055 Li\n0.534494 0.000216 0.338945 Li\n0.534494 0.499785 0.338945 Li\n0.034494 0.500216 0.161055 Li\n0.034494 0.999785 0.161055 Li\n0.004279 0.250000 0.498477 Ag\n0.504279 0.750000 0.001523 Ag\n0.495721 0.250000 0.998477 Ag\n0.995721 0.750000 0.501523 Ag\n0.335482 0.750000 0.218791 F\n-0.000395 0.750000 0.000125 F\n0.664518 0.250000 0.781209 F\n0.664523 0.750000 0.781490 F\n0.164523 0.250000 0.718509 F\n0.164518 0.750000 0.718791 F\n0.499606 0.250000 0.499875 F\n0.500395 0.750000 0.500125 F\n0.835482 0.250000 0.281209 F\n0.835477 0.750000 0.281490 F\n0.335477 0.250000 0.218510 F\n0.000395 0.250000 -0.000125 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 4.494485679275726,
"density_atomic": 0.09085467025192756,
"volume": 264.15813225067336,
"volume_molar": 6.62832273046771,
"formula_full": "Li8 Ag4 F12",
"formula_reduced": "Li2AgF3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0664283333333335,
"spacegroup": 62
},
{
"id": "jvasp-58919",
"created_at": "2022-09-04T14:36:53.900085Z",
"updated_at": "2022-09-04T14:36:53.900098Z",
"structure_string": "Na8 Zn4 Br16\n1.0\n6.783793 0.000000 0.000000\n-0.000000 8.426253 0.000000\n0.000000 0.000000 14.352215\nNa Zn Br\n8 4 16\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.010211 0.750000 0.268308 Na\n0.510211 0.250000 0.231692 Na\n0.989788 0.250000 0.731692 Na\n0.489789 0.750000 0.768308 Na\n0.904572 0.750000 0.590164 Zn\n0.404572 0.250000 0.909837 Zn\n0.095427 0.250000 0.409837 Zn\n0.595427 0.750000 0.090164 Zn\n0.752670 0.979532 0.667281 Br\n0.252671 0.020468 0.832719 Br\n0.752670 0.520468 0.667281 Br\n0.252671 0.479532 0.832719 Br\n0.247329 0.020468 0.332719 Br\n0.747329 0.979532 0.167281 Br\n0.738799 0.750000 0.932577 Br\n0.740949 0.250000 0.409265 Br\n0.261201 0.250000 0.067423 Br\n0.761200 0.750000 0.432577 Br\n0.259050 0.750000 0.590735 Br\n0.759050 0.250000 0.909266 Br\n0.747329 0.520468 0.167281 Br\n0.240950 0.750000 0.090735 Br\n0.238799 0.250000 0.567423 Br\n0.247329 0.479532 0.332719 Br\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Zn",
"Br"
],
"chemical_system": "Br-Na-Zn",
"density": 3.489513785645068,
"density_atomic": 0.0341296643766461,
"volume": 820.4006840207768,
"volume_molar": 17.64488713847643,
"formula_full": "Na8 Zn4 Br16",
"formula_reduced": "Na2ZnBr4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-96978",
"created_at": "2022-09-04T14:36:54.095066Z",
"updated_at": "2022-09-04T14:36:54.095097Z",
"structure_string": "K8 V4 O8 F12\n1.0\n5.659324 0.000000 0.000000\n-0.000000 7.303742 0.000000\n0.000000 0.000000 11.376050\nK V O F\n8 4 8 12\ndirect\n0.749999 0.812627 0.589413 K\n0.250000 0.187373 0.410587 K\n0.749999 0.312627 0.910587 K\n0.250000 0.687373 0.089413 K\n0.749999 0.526665 0.284984 K\n0.250000 0.473334 0.715016 K\n0.749999 0.026666 0.215016 K\n0.250000 0.973334 0.784984 K\n0.749999 0.796533 0.928779 V\n0.749999 0.296533 0.571220 V\n0.250000 0.703467 0.428779 V\n0.250000 0.203467 0.071220 V\n0.019709 0.327179 0.114395 O\n0.519709 0.672821 0.885605 O\n0.980290 0.172821 0.614395 O\n0.019709 0.827179 0.385605 O\n0.519709 0.172821 0.614395 O\n0.480290 0.327179 0.114395 O\n0.980290 0.672821 0.885605 O\n0.480290 0.827179 0.385605 O\n0.749999 0.468154 0.694961 F\n0.250000 0.031846 0.194961 F\n0.749999 0.968154 0.805039 F\n0.500000 0.000000 0.000000 F\n0.250000 0.275527 0.909314 F\n0.500000 0.500000 0.500000 F\n0.749999 0.224473 0.409314 F\n0.250000 0.775526 0.590686 F\n0.000000 0.000000 0.000000 F\n0.250000 0.531846 0.305039 F\n0.000000 0.500000 0.500000 F\n0.749999 0.724473 0.090686 F\n",
"nsites": 32,
"nelements": 4,
"elements": [
"K",
"V",
"O",
"F"
],
"chemical_system": "F-K-O-V",
"density": 3.081251969469336,
"density_atomic": 0.06805319260006472,
"volume": 470.2204081454008,
"volume_molar": 8.849167143988295,
"formula_full": "K8 V4 O8 F12",
"formula_reduced": "K2VO2F3",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 0.6449960059375,
"spacegroup": 62
},
{
"id": "jvasp-18961",
"created_at": "2022-09-04T14:36:54.151770Z",
"updated_at": "2022-09-04T14:36:54.151786Z",
"structure_string": "Dy8 S12\n1.0\n3.861515 0.000000 0.000000\n-0.000000 10.437796 0.000000\n0.000000 0.000000 10.631410\nDy S\n8 12\ndirect\n0.250000 0.996715 0.807381 Dy\n0.750001 0.003285 0.192619 Dy\n0.750001 0.496715 0.692619 Dy\n0.250000 0.503285 0.307381 Dy\n0.250000 0.186908 0.489267 Dy\n0.750001 0.813092 0.510733 Dy\n0.750001 0.686909 0.010733 Dy\n0.250000 0.313092 0.989267 Dy\n0.750001 0.126353 0.954165 S\n0.250000 0.873647 0.045835 S\n0.250000 0.555726 0.880657 S\n0.750001 0.444275 0.119343 S\n0.750001 0.055725 0.619343 S\n0.750001 0.696973 0.272351 S\n0.250000 0.196973 0.227649 S\n0.750001 0.803028 0.772351 S\n0.750001 0.373647 0.454165 S\n0.250000 0.303028 0.727649 S\n0.250000 0.944275 0.380657 S\n0.250000 0.626353 0.545835 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Dy",
"S"
],
"chemical_system": "Dy-S",
"density": 6.528823048420671,
"density_atomic": 0.04667373948920199,
"volume": 428.5064839217997,
"volume_molar": 12.902631813748773,
"formula_full": "Dy8 S12",
"formula_reduced": "Dy2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.3604425999999998,
"spacegroup": 62
},
{
"id": "jvasp-21242",
"created_at": "2022-09-04T14:36:55.330639Z",
"updated_at": "2022-09-04T14:36:55.330665Z",
"structure_string": "Zn4 Se4 O12\n1.0\n5.111892 -0.000000 0.000000\n-0.000000 5.941747 0.000000\n0.000000 0.000000 7.729847\nZn Se O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.015694 0.978169 0.750000 Se\n0.515694 0.521832 0.250000 Se\n0.484306 0.478169 0.750000 Se\n0.984306 0.021832 0.250000 Se\n0.820076 0.423754 0.750000 O\n0.320076 0.076246 0.250000 O\n0.864420 0.185904 0.077494 O\n0.364420 0.314097 0.922506 O\n0.635579 0.685904 0.422506 O\n0.364420 0.314097 0.577494 O\n0.135580 0.814097 0.922506 O\n0.635579 0.685904 0.077494 O\n0.179924 0.576247 0.250000 O\n0.864420 0.185904 0.422506 O\n0.135580 0.814097 0.577494 O\n0.679923 0.923754 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zn",
"Se",
"O"
],
"chemical_system": "O-Se-Zn",
"density": 5.44218610595857,
"density_atomic": 0.08518502838198155,
"volume": 234.7830408686044,
"volume_molar": 7.069482600857842,
"formula_full": "Zn4 Se4 O12",
"formula_reduced": "ZnSeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.270524853333333,
"spacegroup": 62
},
{
"id": "jvasp-21236",
"created_at": "2022-09-04T14:36:55.344069Z",
"updated_at": "2022-09-04T14:36:55.344095Z",
"structure_string": "Ca4 C4 O12\n1.0\n4.995220 -0.000000 0.000000\n0.000000 5.699303 0.000000\n0.000000 0.000000 7.961601\nCa C O\n4 4 12\ndirect\n0.250000 0.760851 0.085218 Ca\n0.750000 0.239149 0.914782 Ca\n0.250000 0.260851 0.414782 Ca\n0.750000 0.739148 0.585218 Ca\n0.250000 0.913374 0.736431 C\n0.750000 0.086625 0.263569 C\n0.250000 0.413375 0.763569 C\n0.750000 0.586625 0.236431 C\n0.025809 0.411711 0.681065 O\n0.525809 0.588289 0.318935 O\n0.250000 0.902028 0.574798 O\n0.750000 0.097971 0.425201 O\n0.250000 0.402029 0.925201 O\n0.974192 0.588289 0.318935 O\n0.525809 0.088289 0.181065 O\n0.025809 0.911710 0.818935 O\n0.974192 0.088289 0.181065 O\n0.474192 0.411711 0.681065 O\n0.750000 0.597971 0.074799 O\n0.474192 0.911710 0.818935 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"C",
"O"
],
"chemical_system": "C-Ca-O",
"density": 2.9329830361537144,
"density_atomic": 0.08823750509064492,
"volume": 226.66098706501657,
"volume_molar": 6.824921844530346,
"formula_full": "Ca4 C4 O12",
"formula_reduced": "CaCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.250982184,
"spacegroup": 62
}
]
}