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=199",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=197",
"results": [
{
"id": "jvasp-108581",
"created_at": "2022-09-04T14:38:27.806308Z",
"updated_at": "2022-09-04T14:38:27.806329Z",
"structure_string": "Na3 Au1 Br6\n1.0\n6.628303 -0.000000 3.826852\n2.209434 6.249224 3.826852\n-0.000000 -0.000000 7.653705\nNa Au Br\n3 1 6\ndirect\n0.749999 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.756469 0.243531 0.243531 Br\n0.243531 0.243531 0.756469 Br\n0.243531 0.756469 0.756469 Br\n0.243531 0.756469 0.243531 Br\n0.756469 0.243531 0.756469 Br\n0.756468 0.756469 0.243531 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Au",
"Br"
],
"chemical_system": "Au-Br-Na",
"density": 3.904046160757343,
"density_atomic": 0.031542770482117,
"volume": 317.02985651401315,
"volume_molar": 19.091984210499902,
"formula_full": "Na3 Au1 Br6",
"formula_reduced": "Na3AuBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-57662",
"created_at": "2022-09-04T14:38:29.355293Z",
"updated_at": "2022-09-04T14:38:29.355316Z",
"structure_string": "Tl10 Te6\n1.0\n7.797283 -0.000000 -4.501179\n-2.598419 7.351587 -4.501179\n0.064594 0.091341 9.116007\nTl Te\n10 6\ndirect\n0.194359 0.991574 0.685933 Tl\n0.805640 0.008426 0.314067 Tl\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 -0.000000 Tl\n0.491573 0.694359 0.685933 Tl\n0.991573 0.491574 0.685933 Tl\n0.694359 0.194359 0.685933 Tl\n0.305641 0.805641 0.314067 Tl\n0.008426 0.508426 0.314067 Tl\n0.508426 0.305641 0.314067 Tl\n0.157419 0.342581 -0.000000 Te\n0.657419 0.157419 -0.000000 Te\n0.342581 0.842581 -0.000000 Te\n0.842581 0.657419 -0.000000 Te\n0.750000 0.750000 0.500000 Te\n0.250000 0.250000 0.500000 Te\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tl",
"Te"
],
"chemical_system": "Te-Tl",
"density": 8.819469579702224,
"density_atomic": 0.030247861262174533,
"volume": 528.9630186187171,
"volume_molar": 19.909310968477595,
"formula_full": "Tl10 Te6",
"formula_reduced": "Tl5Te3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-38494",
"created_at": "2022-09-04T14:37:58.485341Z",
"updated_at": "2022-09-04T14:37:58.485361Z",
"structure_string": "Pr1 Er1 Zn2\n1.0\n0.000000 3.612572 3.612572\n3.612572 -0.000000 3.612572\n3.612572 3.612572 -0.000000\nPr Er Zn\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Pr\n0.250001 0.250001 0.250001 Er\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Er",
"Zn"
],
"chemical_system": "Er-Pr-Zn",
"density": 7.730701451511377,
"density_atomic": 0.04242095693380292,
"volume": 94.29301668611394,
"volume_molar": 14.196145479220174,
"formula_full": "Pr1 Er1 Zn2",
"formula_reduced": "PrErZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-39877",
"created_at": "2022-09-04T14:37:42.565937Z",
"updated_at": "2022-09-04T14:37:42.565972Z",
"structure_string": "Ac1 Tl1 Ag2\n1.0\n0.000000 3.736916 3.736916\n3.736916 0.000000 3.736916\n3.736916 3.736916 0.000000\nAc Tl Ag\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Ac\n0.750001 0.750001 0.750001 Tl\n0.000000 0.000000 0.000000 Ag\n0.500001 0.500001 0.500001 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Tl",
"Ag"
],
"chemical_system": "Ac-Ag-Tl",
"density": 10.295885775258947,
"density_atomic": 0.03832569053850044,
"volume": 104.36863481903245,
"volume_molar": 15.713065245231265,
"formula_full": "Ac1 Tl1 Ag2",
"formula_reduced": "AcTlAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-33819",
"created_at": "2022-09-04T14:38:05.455802Z",
"updated_at": "2022-09-04T14:38:05.455829Z",
"structure_string": "Dy2 Br6\n1.0\n9.577890 -0.000246 0.000000\n-4.789160 8.294886 -0.000010\n-0.000000 -0.000004 3.741623\nDy Br\n2 6\ndirect\n0.333337 0.666671 0.750006 Dy\n0.666665 0.333330 0.249994 Dy\n0.206400 0.412800 0.249997 Br\n0.587208 0.793603 0.249997 Br\n0.206399 0.793601 0.249997 Br\n0.793600 0.587200 0.750003 Br\n0.412792 0.206398 0.750003 Br\n0.793602 0.206399 0.750003 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Dy",
"Br"
],
"chemical_system": "Br-Dy",
"density": 4.493660559906807,
"density_atomic": 0.026912629587154107,
"volume": 297.2582063782629,
"volume_molar": 22.376634510937865,
"formula_full": "Dy2 Br6",
"formula_reduced": "DyBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-108616",
"created_at": "2022-09-04T14:38:20.009057Z",
"updated_at": "2022-09-04T14:38:20.009075Z",
"structure_string": "Cd3 Pd1\n1.0\n3.805657 -0.047642 -3.688183\n-0.715007 3.738189 -3.688183\n0.039898 0.047642 5.299446\nCd Pd\n3 1\ndirect\n0.750001 0.250000 0.500002 Cd\n0.250000 0.750000 0.500001 Cd\n0.500000 0.500000 0.000001 Cd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Pd"
],
"chemical_system": "Cd-Pd",
"density": 9.622279298157656,
"density_atomic": 0.05224508377994924,
"volume": 76.56222768916548,
"volume_molar": 11.526712801083102,
"formula_full": "Cd3 Pd1",
"formula_reduced": "Cd3Pd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-77125",
"created_at": "2022-09-04T14:37:14.099352Z",
"updated_at": "2022-09-04T14:37:14.099373Z",
"structure_string": "Sr1 Cd1 Au2\n1.0\n-10.079338 0.000000 -5.819309\n-6.544429 -0.515529 -0.303334\n-5.298233 3.009244 -2.461808\nSr Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.000000 Cd\n0.733030 0.000000 0.000000 Au\n0.266970 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Sr",
"density": 9.08978188117741,
"density_atomic": 0.036864142114293716,
"volume": 108.50652614126719,
"volume_molar": 16.336039345033267,
"formula_full": "Sr1 Cd1 Au2",
"formula_reduced": "SrCdAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-115735",
"created_at": "2022-09-04T14:38:50.074192Z",
"updated_at": "2022-09-04T14:38:50.074210Z",
"structure_string": "Rb1 Te1 Br1\n1.0\n6.246555 -0.000000 -0.000000\n-3.123278 5.409675 0.000000\n0.000000 -0.000000 3.212937\nRb Te Br\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Rb\n0.666667 0.333333 0.000000 Te\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Te",
"Br"
],
"chemical_system": "Br-Rb-Te",
"density": 4.480855760806281,
"density_atomic": 0.02763168072096788,
"volume": 108.57102867881271,
"volume_molar": 21.794333905393565,
"formula_full": "Rb1 Te1 Br1",
"formula_reduced": "RbTeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-21013",
"created_at": "2022-09-04T14:37:43.545455Z",
"updated_at": "2022-09-04T14:37:43.545491Z",
"structure_string": "K4 Te4 F20\n1.0\n4.665242 -0.000000 0.000000\n0.000000 9.009526 0.000000\n0.000000 0.000000 11.413410\nK Te F\n4 4 20\ndirect\n0.465025 0.250000 0.000000 K\n0.534975 0.750000 0.500000 K\n0.534975 0.750000 0.000000 K\n0.465025 0.250000 0.500000 K\n0.104921 0.052514 0.250000 Te\n0.104921 0.447486 0.750000 Te\n0.895078 0.552514 0.250000 Te\n0.895078 0.947486 0.750000 Te\n0.616214 0.015193 0.627235 F\n0.616214 0.015193 0.872765 F\n0.616214 0.484808 0.127235 F\n0.941513 0.317343 0.876441 F\n0.383785 0.984808 0.372765 F\n0.941513 0.182657 0.123559 F\n0.616214 0.484808 0.372765 F\n0.383785 0.515193 0.627235 F\n0.383785 0.515193 0.872765 F\n0.941513 0.317343 0.623559 F\n0.058487 0.817343 0.876441 F\n0.058487 0.682657 0.123559 F\n0.058487 0.682657 0.376441 F\n0.941513 0.182657 0.376441 F\n0.371372 0.216012 0.250000 F\n0.371372 0.283988 0.750000 F\n0.628628 0.716012 0.250000 F\n0.628628 0.783988 0.750000 F\n0.383785 0.984808 0.127235 F\n0.058487 0.817343 0.623559 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Te",
"F"
],
"chemical_system": "F-K-Te",
"density": 3.623307576421077,
"density_atomic": 0.05836688192415157,
"volume": 479.7241016983967,
"volume_molar": 10.317735951401072,
"formula_full": "K4 Te4 F20",
"formula_reduced": "KTeF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 57
},
{
"id": "jvasp-104584",
"created_at": "2022-09-04T14:36:51.689105Z",
"updated_at": "2022-09-04T14:36:51.689129Z",
"structure_string": "K3 Zn1\n1.0\n5.738307 -0.000000 0.000000\n0.000000 5.738307 0.000000\n-0.000000 -0.000000 5.738307\nK Zn\n3 1\ndirect\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 -0.000000 K\n-0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Zn"
],
"chemical_system": "K-Zn",
"density": 1.6056303821276823,
"density_atomic": 0.02116940508231516,
"volume": 188.9519324915552,
"volume_molar": 28.447378358454074,
"formula_full": "K3 Zn1",
"formula_reduced": "K3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-33809",
"created_at": "2022-09-04T14:38:10.851137Z",
"updated_at": "2022-09-04T14:38:10.851147Z",
"structure_string": "Pm2 I6\n1.0\n10.495414 -0.000000 0.000000\n-5.247706 9.089295 -0.000000\n-0.000000 -0.000000 4.096578\nPm I\n2 6\ndirect\n0.333332 0.666665 0.749999 Pm\n0.666667 0.333333 0.250000 Pm\n0.204045 0.408092 0.249999 I\n0.591906 0.795953 0.249999 I\n0.204044 0.795953 0.249999 I\n0.795954 0.591908 0.750000 I\n0.408091 0.204046 0.750000 I\n0.795953 0.204046 0.750000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"I"
],
"chemical_system": "I-Pm",
"density": 4.467629465927094,
"density_atomic": 0.02047099655809371,
"volume": 390.7968025541485,
"volume_molar": 29.417916919237623,
"formula_full": "Pm2 I6",
"formula_reduced": "PmI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-104903",
"created_at": "2022-09-04T14:36:47.170595Z",
"updated_at": "2022-09-04T14:36:47.170612Z",
"structure_string": "Zn3 P1 Br3\n1.0\n4.041715 -0.000000 0.000000\n0.000000 6.609176 0.076449\n0.000000 -0.046026 6.920494\nZn P Br\n3 1 3\ndirect\n-0.000000 0.470777 0.692784 Zn\n0.499999 0.505966 0.123161 Zn\n0.499999 0.027027 0.855964 Zn\n0.499999 0.372561 0.818620 P\n-0.000000 0.870131 0.671033 Br\n0.499999 0.872973 0.181200 Br\n-0.000000 0.376564 0.323887 Br\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Zn",
"P",
"Br"
],
"chemical_system": "Br-P-Zn",
"density": 4.193738375253419,
"density_atomic": 0.03786295730032377,
"volume": 184.87726525101996,
"volume_molar": 15.9050987809357,
"formula_full": "Zn3 P1 Br3",
"formula_reduced": "Zn3PBr3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.0,
"spacegroup": 6
}
]
}