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=3802",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=3800",
"results": [
{
"id": "jvasp-49148",
"created_at": "2022-09-04T14:36:35.856679Z",
"updated_at": "2022-09-04T14:36:35.856696Z",
"structure_string": "Sc2 Ag2 P4 Se12\n1.0\n3.255132 -5.638053 -0.000000\n3.255132 5.638053 -0.000000\n0.000000 0.000000 13.437078\nSc Ag P Se\n2 2 4 12\ndirect\n0.000000 0.000000 0.250000 Sc\n0.000000 0.000000 0.750000 Sc\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n0.666667 0.333333 0.665857 P\n0.666667 0.333333 0.834143 P\n0.333333 0.666667 0.334143 P\n0.333333 0.666667 0.165857 P\n0.672569 0.979630 0.381838 Se\n0.307061 0.979630 0.118162 Se\n0.979630 0.307061 0.618162 Se\n0.692939 0.672569 0.618162 Se\n0.327431 0.020370 0.618162 Se\n0.020370 0.692939 0.381838 Se\n0.327431 0.307061 0.881838 Se\n0.020370 0.327431 0.118162 Se\n0.979630 0.672569 0.881838 Se\n0.672569 0.692939 0.118162 Se\n0.692939 0.020370 0.881838 Se\n0.307061 0.327431 0.381838 Se\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sc",
"Ag",
"P",
"Se"
],
"chemical_system": "Ag-P-Sc-Se",
"density": 4.636287939991401,
"density_atomic": 0.04055061108066114,
"volume": 493.2108164835557,
"volume_molar": 14.850924806092502,
"formula_full": "Sc2 Ag2 P4 Se12",
"formula_reduced": "ScAg(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.940414371,
"spacegroup": 163
},
{
"id": "jvasp-101486",
"created_at": "2022-09-04T14:36:37.459095Z",
"updated_at": "2022-09-04T14:36:37.459122Z",
"structure_string": "K2 Rb1 Au1 Br6\n1.0\n7.049783 -0.000000 4.070194\n2.349928 6.646599 4.070194\n-0.000000 -0.000000 8.140389\nK Rb Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.770365 0.229635 0.229634 Br\n0.229635 0.229635 0.770365 Br\n0.229635 0.770365 0.770365 Br\n0.229635 0.770365 0.229634 Br\n0.770365 0.229635 0.770365 Br\n0.770365 0.770365 0.229634 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Au",
"Br"
],
"chemical_system": "Au-Br-K-Rb",
"density": 3.6570964704876054,
"density_atomic": 0.026216795969915167,
"volume": 381.43486379782655,
"volume_molar": 22.970544405619403,
"formula_full": "K2 Rb1 Au1 Br6",
"formula_reduced": "K2RbAuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100679",
"created_at": "2022-09-04T14:36:37.458936Z",
"updated_at": "2022-09-04T14:36:37.458956Z",
"structure_string": "K2 Y1 Au1 Cl6\n1.0\n6.491151 -0.000000 3.747668\n2.163717 6.119916 3.747668\n-0.000000 -0.000000 7.495335\nK Y Au Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Au\n0.753858 0.246143 0.246143 Cl\n0.246142 0.246143 0.753858 Cl\n0.246143 0.753858 0.753858 Cl\n0.246143 0.753858 0.246143 Cl\n0.753858 0.246143 0.753858 Cl\n0.753858 0.753858 0.246143 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Y",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-K-Y",
"density": 3.2166688529756717,
"density_atomic": 0.03358472361463031,
"volume": 297.7544229556726,
"volume_molar": 17.93119046951636,
"formula_full": "K2 Y1 Au1 Cl6",
"formula_reduced": "K2YAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0784403425,
"spacegroup": 225
},
{
"id": "jvasp-107853",
"created_at": "2022-09-04T14:36:36.070505Z",
"updated_at": "2022-09-04T14:36:36.070528Z",
"structure_string": "Rb2 Ag1 Au1 F6\n1.0\n5.416100 -0.000000 3.126987\n1.805367 5.106348 3.126987\n-0.000000 -0.000000 6.253973\nRb Ag Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n0.751080 0.248921 0.248921 F\n0.248921 0.248921 0.751079 F\n0.248921 0.751080 0.751079 F\n0.248921 0.751080 0.248921 F\n0.751080 0.248921 0.751079 F\n0.751080 0.751080 0.248921 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ag",
"Au",
"F"
],
"chemical_system": "Ag-Au-F-Rb",
"density": 5.662026612517222,
"density_atomic": 0.05781584998774943,
"volume": 172.96295050784335,
"volume_molar": 10.416072342231462,
"formula_full": "Rb2 Ag1 Au1 F6",
"formula_reduced": "Rb2AgAuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108106",
"created_at": "2022-09-04T14:36:22.568074Z",
"updated_at": "2022-09-04T14:36:22.568098Z",
"structure_string": "Li1 La1 Ti2 O6\n1.0\n4.752791 -0.000000 2.744025\n1.584264 4.480975 2.744025\n-0.000000 -0.000000 5.488051\nLi La Ti O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.499999 0.500001 La\n0.250000 0.250000 0.250001 Ti\n0.749999 0.749999 0.750002 Ti\n0.500000 0.000000 0.000000 O\n-0.000000 0.499999 0.500001 O\n0.000000 0.000000 0.500000 O\n0.500000 0.499999 0.000001 O\n-0.000000 0.499999 0.000001 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"La",
"Ti",
"O"
],
"chemical_system": "La-Li-O-Ti",
"density": 4.7960356547817335,
"density_atomic": 0.08555799990993312,
"volume": 116.87977758394301,
"volume_molar": 7.038664726079975,
"formula_full": "Li1 La1 Ti2 O6",
"formula_reduced": "LiLaTi2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.6363252666666668,
"spacegroup": 225
},
{
"id": "jvasp-19406",
"created_at": "2022-09-04T14:36:37.483464Z",
"updated_at": "2022-09-04T14:36:37.483493Z",
"structure_string": "Ca4 Ta2 Ag2 O12\n1.0\n0.000000 5.918131 0.079314\n7.566049 0.000000 0.000000\n0.000000 -1.237581 -5.873872\nCa Ta Ag O\n4 2 2 12\ndirect\n0.972774 0.750000 0.930153 Ca\n0.464485 0.750000 0.448345 Ca\n0.535515 0.250000 0.551655 Ca\n0.027226 0.250000 0.069847 Ca\n0.000000 0.000000 0.500000 Ta\n0.000000 0.500000 0.500000 Ta\n0.500000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.830417 0.953451 0.171900 O\n0.387845 0.750000 0.056526 O\n0.169583 0.046549 0.828100 O\n0.732990 0.949727 0.633823 O\n0.267010 0.449727 0.366177 O\n0.732990 0.550274 0.633823 O\n0.267010 0.050273 0.366177 O\n0.830417 0.546549 0.171900 O\n0.612155 0.250000 0.943475 O\n0.169583 0.453451 0.828100 O\n0.893994 0.250000 0.452147 O\n0.106007 0.750000 0.547854 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Ta",
"Ag",
"O"
],
"chemical_system": "Ag-Ca-O-Ta",
"density": 5.887791801790818,
"density_atomic": 0.07625702070861136,
"volume": 262.27093340589283,
"volume_molar": 7.897162391134366,
"formula_full": "Ca4 Ta2 Ag2 O12",
"formula_reduced": "Ca2TaAgO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.14906683,
"spacegroup": 11
},
{
"id": "jvasp-100095",
"created_at": "2022-09-04T14:36:38.929925Z",
"updated_at": "2022-09-04T14:36:38.929952Z",
"structure_string": "Rb2 Nd1 Cu1 Cl6\n1.0\n6.409200 -0.000000 3.700354\n2.136400 6.042652 3.700354\n0.000000 0.000000 7.400707\nRb Nd Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Cu\n0.759191 0.240809 0.240809 Cl\n0.240809 0.240809 0.759191 Cl\n0.240809 0.759190 0.759191 Cl\n0.240809 0.759190 0.240809 Cl\n0.759191 0.240809 0.759190 Cl\n0.759191 0.759190 0.240809 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Nd",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Nd-Rb",
"density": 3.4265442715649357,
"density_atomic": 0.034889551108455624,
"volume": 286.6187635637553,
"volume_molar": 17.260585386380935,
"formula_full": "Rb2 Nd1 Cu1 Cl6",
"formula_reduced": "Rb2NdCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-10996",
"created_at": "2022-09-04T14:36:39.957647Z",
"updated_at": "2022-09-04T14:36:39.957668Z",
"structure_string": "Ba2 Nd1 Nb1 O6\n1.0\n5.326427 -0.000000 3.075214\n1.775476 5.021804 3.075214\n0.000000 -0.000000 6.150428\nBa Nd Nb O\n2 1 1 6\ndirect\n0.750001 0.749999 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.500001 0.500000 0.499999 Nd\n0.000000 0.000000 0.000000 Nb\n0.232478 0.767522 0.767522 O\n0.232478 0.767522 0.232477 O\n0.767523 0.232477 0.767522 O\n0.232478 0.232477 0.767522 O\n0.767523 0.232477 0.232477 O\n0.767524 0.767522 0.232476 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-Nd-O",
"density": 6.1349050440625525,
"density_atomic": 0.060785350272249954,
"volume": 164.5133236085875,
"volume_molar": 9.907223916663451,
"formula_full": "Ba2 Nd1 Nb1 O6",
"formula_reduced": "Ba2NdNbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.208379384,
"spacegroup": 225
},
{
"id": "jvasp-100125",
"created_at": "2022-09-04T14:36:21.876006Z",
"updated_at": "2022-09-04T14:36:21.876040Z",
"structure_string": "K2 Rb1 Nd1 Cl6\n1.0\n7.042698 -0.000000 4.066104\n2.347566 6.639919 4.066104\n-0.000000 -0.000000 8.132207\nK Rb Nd Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Rb\n0.000000 0.000000 0.000000 Nd\n0.764058 0.235942 0.235942 Cl\n0.235943 0.235942 0.764058 Cl\n0.235943 0.764058 0.764057 Cl\n0.235943 0.764058 0.235942 Cl\n0.764058 0.235942 0.764057 Cl\n0.764058 0.764058 0.235941 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Nd",
"Cl"
],
"chemical_system": "Cl-K-Nd-Rb",
"density": 2.273334505003707,
"density_atomic": 0.026296002239672864,
"volume": 380.28594266367105,
"volume_molar": 22.901354757699167,
"formula_full": "K2 Rb1 Nd1 Cl6",
"formula_reduced": "K2RbNdCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-99646",
"created_at": "2022-09-04T14:36:36.914687Z",
"updated_at": "2022-09-04T14:36:36.914711Z",
"structure_string": "Sr2 U1 Cr1 O6\n1.0\n5.021282 -0.000000 2.899039\n1.673761 4.734111 2.899039\n-0.000000 -0.000000 5.798078\nSr U Cr O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750001 Sr\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500001 Cr\n0.739983 0.260017 0.260017 O\n0.260016 0.739983 0.739984 O\n0.260016 0.739982 0.260018 O\n0.739983 0.260017 0.739984 O\n0.260017 0.260017 0.739984 O\n0.739983 0.739983 0.260017 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"U",
"Cr",
"O"
],
"chemical_system": "Cr-O-Sr-U",
"density": 6.762031319119021,
"density_atomic": 0.07255425674345907,
"volume": 137.82788838094635,
"volume_molar": 8.300189444836274,
"formula_full": "Sr2 U1 Cr1 O6",
"formula_reduced": "Sr2UCrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.5753907019999995,
"spacegroup": 225
},
{
"id": "jvasp-99727",
"created_at": "2022-09-04T14:36:31.999897Z",
"updated_at": "2022-09-04T14:36:31.999916Z",
"structure_string": "Rb2 Y1 Hg1 Br6\n1.0\n7.042647 -0.000000 4.066074\n2.347549 6.639871 4.066074\n-0.000000 -0.000000 8.132148\nRb Y Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Hg\n0.759421 0.240579 0.240579 Br\n0.240579 0.240579 0.759421 Br\n0.240580 0.759421 0.759420 Br\n0.240580 0.759421 0.240579 Br\n0.759421 0.240579 0.759420 Br\n0.759421 0.759421 0.240578 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Y",
"Hg",
"Br"
],
"chemical_system": "Br-Hg-Rb-Y",
"density": 4.1040186438114565,
"density_atomic": 0.02629657354568499,
"volume": 380.2776807642645,
"volume_molar": 22.900857214487456,
"formula_full": "Rb2 Y1 Hg1 Br6",
"formula_reduced": "Rb2YHgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100033",
"created_at": "2022-09-04T14:36:36.980760Z",
"updated_at": "2022-09-04T14:36:36.980769Z",
"structure_string": "Ba1 Sr1 Mo2 O6\n1.0\n4.936320 -0.000000 2.849985\n1.645440 4.654007 2.849985\n0.000000 0.000000 5.699971\nBa Sr Mo O\n1 1 2 6\ndirect\n0.500000 0.500000 0.500001 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Mo\n0.750000 0.750001 0.750001 Mo\n0.500000 0.500000 0.000001 O\n-0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-O-Sr",
"density": 6.503002898246494,
"density_atomic": 0.07636546777986708,
"volume": 130.9492404188008,
"volume_molar": 7.885947582170998,
"formula_full": "Ba1 Sr1 Mo2 O6",
"formula_reduced": "BaSr(MoO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.805690508,
"spacegroup": 225
}
]
}