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=-energy_above_hull&page=956",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=954",
"results": [
{
"id": "jvasp-71761",
"created_at": "2022-09-04T14:35:56.486563Z",
"updated_at": "2022-09-04T14:35:56.486589Z",
"structure_string": "Li2 Be1 W1\n1.0\n-1.671261 1.671261 4.632516\n1.671261 -1.671261 4.632516\n1.671261 1.671261 -4.632516\nLi Be W\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"W"
],
"chemical_system": "Be-Li-W",
"density": 6.632784857938409,
"density_atomic": 0.07728487601359575,
"volume": 51.75656876639526,
"volume_molar": 7.792133559146296,
"formula_full": "Li2 Be1 W1",
"formula_reduced": "Li2BeW",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9073715250000003,
"spacegroup": 139
},
{
"id": "jvasp-85697",
"created_at": "2022-09-04T14:36:16.118482Z",
"updated_at": "2022-09-04T14:36:16.118513Z",
"structure_string": "Fe2 Cu1 As2 H2 O10\n1.0\n4.969919 -0.006920 -1.243292\n-1.333717 5.048406 -1.310653\n-0.215258 -0.183836 7.738568\nFe Cu As H O\n2 1 2 2 10\ndirect\n0.813528 0.397023 0.807380 Fe\n0.186471 0.602977 0.192620 Fe\n0.000000 0.000000 0.000000 Cu\n0.289429 0.794923 0.675531 As\n0.710570 0.205077 0.324470 As\n0.235441 0.350961 0.630822 H\n0.764558 0.649040 0.369179 H\n0.851314 0.217066 0.555071 O\n0.148685 0.782934 0.444930 O\n0.981444 0.242164 0.231779 O\n0.018555 0.757836 0.768221 O\n0.435797 0.936853 0.188610 O\n0.411762 0.500066 0.672869 O\n0.135150 0.324844 0.956636 O\n0.564202 0.063147 0.811391 O\n0.588237 0.499934 0.327132 O\n0.864850 0.675156 0.043365 O\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Fe",
"Cu",
"As",
"H",
"O"
],
"chemical_system": "As-Cu-Fe-H-O",
"density": 4.229506293280816,
"density_atomic": 0.08889577206045467,
"volume": 191.23519157287862,
"volume_molar": 6.774383775984947,
"formula_full": "Fe2 Cu1 As2 H2 O10",
"formula_reduced": "Fe2CuAs2(HO5)2",
"formula_anonymous": "AB2C2D2E10",
"energy_above_hull": 2.907329408823529,
"spacegroup": 2
},
{
"id": "jvasp-90870",
"created_at": "2022-09-04T14:36:00.764666Z",
"updated_at": "2022-09-04T14:36:00.764689Z",
"structure_string": "Pr2 Mn2 Si4\n1.0\n0.000000 -0.000000 -4.013867\n-4.119194 0.000000 0.000000\n2.059597 8.857040 -0.000000\nPr Mn Si\n2 2 4\ndirect\n0.750001 0.102006 0.204011 Pr\n0.250000 0.897992 0.795989 Pr\n0.750001 0.750295 0.500592 Mn\n0.250000 0.249703 0.499408 Mn\n0.750001 0.319805 0.639611 Si\n0.250000 0.680194 0.360389 Si\n0.750001 0.463011 0.926025 Si\n0.250000 0.536987 0.073975 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pr",
"Mn",
"Si"
],
"chemical_system": "Mn-Pr-Si",
"density": 5.715372945803948,
"density_atomic": 0.05462936554647164,
"volume": 146.44138587321922,
"volume_molar": 11.02363298522502,
"formula_full": "Pr2 Mn2 Si4",
"formula_reduced": "PrMnSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.907326072844827,
"spacegroup": 63
},
{
"id": "jvasp-20453",
"created_at": "2022-09-04T14:38:18.580229Z",
"updated_at": "2022-09-04T14:38:18.580252Z",
"structure_string": "Mg2 Fe2 P8 O24\n1.0\n7.230702 0.026748 -0.011896\n-2.441412 6.806076 0.011012\n-3.284442 -2.791517 8.758685\nMg Fe P O\n2 2 8 24\ndirect\n0.198336 0.948011 0.249857 Mg\n0.802103 0.051788 0.749855 Mg\n0.000222 0.999902 0.499857 Fe\n0.000219 0.499900 0.999855 Fe\n0.295468 0.248044 0.021300 P\n0.273516 0.726093 0.521299 P\n0.704975 0.751759 0.978415 P\n0.726920 0.273703 0.478414 P\n0.490772 0.297047 0.800447 P\n0.003663 0.309937 0.300447 P\n0.509669 0.702756 0.199267 P\n0.996768 0.689858 0.699262 P\n0.303189 0.722203 0.186523 O\n0.510412 0.841934 0.593973 O\n0.748144 0.915981 0.905739 O\n0.865467 0.192523 0.584691 O\n0.108014 0.280318 0.915026 O\n0.134973 0.807280 0.415025 O\n0.892428 0.719485 0.084689 O\n0.964575 0.883597 0.686517 O\n0.697249 0.277594 0.813189 O\n0.035863 0.116202 0.313194 O\n0.046067 0.650359 0.849642 O\n0.218899 0.494754 0.432483 O\n0.954363 0.349436 0.150067 O\n0.699545 0.803832 0.349645 O\n0.781533 0.505045 0.567226 O\n0.437989 0.213841 0.932481 O\n0.252299 0.083821 0.093974 O\n0.562452 0.785962 0.067232 O\n0.187679 0.687423 0.651774 O\n0.535831 0.535448 0.847940 O\n0.812755 0.312371 0.347937 O\n0.464614 0.464355 0.151775 O\n0.300895 0.195976 0.650067 O\n0.490025 0.157858 0.405742 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Mg",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Mg-O-P",
"density": 3.048247369868583,
"density_atomic": 0.08343282011315722,
"volume": 431.4848755103132,
"volume_molar": 7.217951822594953,
"formula_full": "Mg2 Fe2 P8 O24",
"formula_reduced": "MgFe(PO3)4",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 2.907247697222222,
"spacegroup": 15
},
{
"id": "jvasp-17365",
"created_at": "2022-09-04T14:38:27.391867Z",
"updated_at": "2022-09-04T14:38:27.391899Z",
"structure_string": "Sm1 Co2 Si2\n1.0\n3.689191 -0.000000 -1.368931\n-0.507963 3.654053 -1.368931\n0.001858 0.002134 5.660551\nSm Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.249999 0.500000 Co\n0.250001 0.749999 0.500000 Co\n0.631440 0.631439 0.262879 Si\n0.368561 0.368559 0.737121 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Co",
"Si"
],
"chemical_system": "Co-Si-Sm",
"density": 7.057308408586942,
"density_atomic": 0.06550623702294474,
"volume": 76.3286097207608,
"volume_molar": 9.193232635070515,
"formula_full": "Sm1 Co2 Si2",
"formula_reduced": "Sm(CoSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.907215575,
"spacegroup": 139
},
{
"id": "jvasp-63328",
"created_at": "2022-09-04T14:35:49.871207Z",
"updated_at": "2022-09-04T14:35:49.871237Z",
"structure_string": "Cr3 As3 Rh3\n1.0\n3.253460 -5.635159 0.000000\n3.253454 5.635155 0.000000\n0.000000 0.000000 3.725124\nCr As Rh\n3 3 3\ndirect\n0.000073 0.407480 0.500000 Cr\n0.592593 0.592519 0.500000 Cr\n0.407405 -0.000000 0.500000 Cr\n0.666663 0.333326 0.000000 As\n0.333337 0.666673 0.000000 As\n-0.000032 0.000000 0.500000 As\n-0.000013 0.744843 0.000000 Rh\n0.255144 0.255156 0.000000 Rh\n0.744830 -0.000000 0.000000 Rh\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cr",
"As",
"Rh"
],
"chemical_system": "As-Cr-Rh",
"density": 8.381898519454127,
"density_atomic": 0.06589017915201614,
"volume": 136.5909171264503,
"volume_molar": 9.139663660810871,
"formula_full": "Cr3 As3 Rh3",
"formula_reduced": "CrAsRh",
"formula_anonymous": "ABC",
"energy_above_hull": 2.907147383333333,
"spacegroup": 189
},
{
"id": "jvasp-17315",
"created_at": "2022-09-04T14:38:31.230460Z",
"updated_at": "2022-09-04T14:38:31.230487Z",
"structure_string": "Cr3 As3 Rh3\n1.0\n3.253533 -5.635284 0.000000\n3.253533 5.635284 -0.000000\n-0.000000 0.000000 3.725022\nCr As Rh\n3 3 3\ndirect\n0.592569 0.592569 0.500000 Cr\n-0.000000 0.407430 0.500000 Cr\n0.407430 -0.000000 0.500000 Cr\n0.333333 0.666666 0.000000 As\n0.666666 0.333333 0.000000 As\n0.000000 0.000000 0.500000 As\n0.744843 -0.000000 0.000000 Rh\n0.255156 0.255156 0.000000 Rh\n-0.000000 0.744843 0.000000 Rh\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cr",
"As",
"Rh"
],
"chemical_system": "As-Cr-Rh",
"density": 8.381743335819676,
"density_atomic": 0.0658889592520792,
"volume": 136.59344603649959,
"volume_molar": 9.139832876947384,
"formula_full": "Cr3 As3 Rh3",
"formula_reduced": "CrAsRh",
"formula_anonymous": "ABC",
"energy_above_hull": 2.90711405,
"spacegroup": 189
},
{
"id": "jvasp-49810",
"created_at": "2022-09-04T14:37:02.167922Z",
"updated_at": "2022-09-04T14:37:02.167943Z",
"structure_string": "Li4 Ti2 B4 O12\n1.0\n5.045857 -0.090064 -0.007278\n0.159476 5.902750 -0.061539\n0.351706 1.951663 7.892020\nLi Ti B O\n4 2 4 12\ndirect\n0.336014 0.676449 0.606739 Li\n0.170294 0.490607 0.203697 Li\n0.860242 0.488752 0.784776 Li\n0.694526 0.302919 0.381720 Li\n0.360895 -0.001470 0.245201 Ti\n0.669656 -0.019168 0.743251 Ti\n0.849244 0.831500 0.434682 B\n0.363786 0.307146 0.898592 B\n0.666763 0.672224 0.089860 B\n0.181303 0.147859 0.553771 B\n0.909924 0.170526 0.582691 O\n0.302656 0.248794 0.401452 O\n0.807373 0.538510 0.208403 O\n0.613572 0.214471 0.860799 O\n0.416979 0.764896 0.127650 O\n0.319360 -0.008189 0.677916 O\n0.727888 0.730566 0.586999 O\n0.120626 0.808840 0.405757 O\n0.747753 0.728556 0.917334 O\n0.282806 0.250811 0.071119 O\n0.223171 0.440856 0.780053 O\n0.711194 0.987549 0.310534 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ti",
"B",
"O"
],
"chemical_system": "B-Li-O-Ti",
"density": 2.5263339768711606,
"density_atomic": 0.09330197517955302,
"volume": 235.79350766864863,
"volume_molar": 6.454462243067007,
"formula_full": "Li4 Ti2 B4 O12",
"formula_reduced": "Li2Ti(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.9070995,
"spacegroup": 2
},
{
"id": "jvasp-43159",
"created_at": "2022-09-04T14:36:51.957985Z",
"updated_at": "2022-09-04T14:36:51.958015Z",
"structure_string": "Li2 Fe3 Co1 O8\n1.0\n5.712997 0.041741 0.029516\n2.892647 4.926729 0.029516\n2.892647 1.670071 4.635126\nLi Fe Co O\n2 3 1 8\ndirect\n0.125620 0.125620 0.125620 Li\n0.874381 0.874379 0.874383 Li\n0.000000 0.500000 0.500001 Fe\n0.500000 -0.000000 0.500001 Fe\n0.500000 0.500000 0.000001 Fe\n0.500000 0.499999 0.500001 Co\n0.262363 0.262363 0.262364 O\n0.262558 0.262558 0.710902 O\n0.262558 0.710900 0.262559 O\n0.710901 0.262558 0.262559 O\n0.289100 0.737441 0.737443 O\n0.737442 0.289099 0.737443 O\n0.737442 0.737441 0.289101 O\n0.737638 0.737636 0.737639 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.728793402830239,
"density_atomic": 0.10823657320136174,
"volume": 129.34629752139884,
"volume_molar": 5.563868646133592,
"formula_full": "Li2 Fe3 Co1 O8",
"formula_reduced": "Li2Fe3CoO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.906984671428571,
"spacegroup": 166
},
{
"id": "jvasp-78585",
"created_at": "2022-09-04T14:37:09.730446Z",
"updated_at": "2022-09-04T14:37:09.730463Z",
"structure_string": "V1 Si1 Rh1\n1.0\n3.500387 -0.000000 2.020949\n1.166796 3.300197 2.020949\n0.000000 0.000000 4.041899\nV Si Rh\n1 1 1\ndirect\n0.500001 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
"V",
"Si",
"Rh"
],
"chemical_system": "Rh-Si-V",
"density": 6.470204395104231,
"density_atomic": 0.06425099686986156,
"volume": 46.69188255672373,
"volume_molar": 9.372836303532633,
"formula_full": "V1 Si1 Rh1",
"formula_reduced": "VSiRh",
"formula_anonymous": "ABC",
"energy_above_hull": 2.906875266666667,
"spacegroup": 216
},
{
"id": "jvasp-43821",
"created_at": "2022-09-04T14:35:59.869048Z",
"updated_at": "2022-09-04T14:35:59.869069Z",
"structure_string": "Li2 Cr2 P4 O14\n1.0\n3.210634 4.099120 -0.012891\n-3.210634 4.099120 0.012891\n-1.918991 0.000000 8.749491\nLi Cr P O\n2 2 4 14\ndirect\n0.697326 0.698010 0.000176 Li\n0.301990 0.302674 0.500176 Li\n0.675987 0.675885 0.499998 Cr\n0.324115 0.324013 -0.000002 Cr\n0.216101 0.772720 0.702926 P\n0.227280 0.783900 0.202926 P\n0.783867 0.227059 0.797036 P\n0.772941 0.216133 0.297036 P\n0.617396 0.379366 0.141526 O\n0.948074 0.378252 0.888895 O\n0.607363 0.096659 0.890933 O\n0.620634 0.382604 0.641526 O\n0.000397 0.000530 0.249853 O\n0.999470 0.999603 0.749853 O\n0.379324 0.617566 0.858527 O\n0.379012 0.947585 0.111088 O\n0.096455 0.607668 0.109040 O\n0.903341 0.392637 0.390933 O\n0.052415 0.620988 0.611088 O\n0.392332 0.903545 0.609040 O\n0.382434 0.620676 0.358527 O\n0.621749 0.051926 0.388895 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 3.361247356718702,
"density_atomic": 0.0956117083940316,
"volume": 230.09734236035587,
"volume_molar": 6.298539019072608,
"formula_full": "Li2 Cr2 P4 O14",
"formula_reduced": "LiCrP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.906871172727273,
"spacegroup": 15
},
{
"id": "jvasp-63641",
"created_at": "2022-09-04T14:35:46.759535Z",
"updated_at": "2022-09-04T14:35:46.759552Z",
"structure_string": "Cr3 As3 Rh3\n1.0\n3.252033 -5.632687 0.000000\n3.252367 5.632880 0.000000\n0.000000 0.000000 3.727355\nCr As Rh\n3 3 3\ndirect\n0.999998 0.407453 0.500001 Cr\n0.592545 0.592547 0.500001 Cr\n0.407462 -0.000000 0.500001 Cr\n-0.000008 0.000000 0.500001 As\n0.666676 0.333340 0.000000 As\n0.333336 0.666660 0.000000 As\n-0.000002 0.744952 0.000000 Rh\n0.255046 0.255048 0.000000 Rh\n0.744946 -0.000001 0.000000 Rh\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cr",
"As",
"Rh"
],
"chemical_system": "As-Cr-Rh",
"density": 8.38365044026771,
"density_atomic": 0.06590395101718478,
"volume": 136.5623738955075,
"volume_molar": 9.137753756872174,
"formula_full": "Cr3 As3 Rh3",
"formula_reduced": "CrAsRh",
"formula_anonymous": "ABC",
"energy_above_hull": 2.90685405,
"spacegroup": 189
}
]
}