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=43",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=41",
"results": [
{
"id": "jvasp-69215",
"created_at": "2022-09-04T14:35:57.237207Z",
"updated_at": "2022-09-04T14:35:57.237227Z",
"structure_string": "Ba2 In1 Pb1\n1.0\n0.000000 4.266678 4.266678\n4.266678 0.000000 4.266678\n4.266678 4.266678 0.000000\nBa In Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"In",
"Pb"
],
"chemical_system": "Ba-In-Pb",
"density": 6.37800939213785,
"density_atomic": 0.025749001355069176,
"volume": 155.34583049810297,
"volume_molar": 23.38786144346692,
"formula_full": "Ba2 In1 Pb1",
"formula_reduced": "Ba2InPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-93209",
"created_at": "2022-09-04T14:35:42.005075Z",
"updated_at": "2022-09-04T14:35:42.005102Z",
"structure_string": "K1 Na1 Mg6\n1.0\n7.386756 0.536134 0.000000\n-3.229073 5.592917 0.000000\n0.000000 0.000000 5.276143\nK Na Mg\n1 1 6\ndirect\n0.128688 0.314343 0.250000 K\n0.165836 0.832917 0.250000 Na\n0.649509 0.329561 0.250000 Mg\n0.649509 0.819946 0.250000 Mg\n0.389335 0.194703 0.750000 Mg\n0.389336 0.694633 0.750000 Mg\n0.787731 0.143866 0.750000 Mg\n0.840058 0.670029 0.750000 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Na",
"Mg"
],
"chemical_system": "K-Mg-Na",
"density": 1.5202142358284418,
"density_atomic": 0.03522519865014578,
"volume": 227.11014576398685,
"volume_molar": 17.096115822685583,
"formula_full": "K1 Na1 Mg6",
"formula_reduced": "KNaMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-92194",
"created_at": "2022-09-04T14:35:44.174341Z",
"updated_at": "2022-09-04T14:35:44.174369Z",
"structure_string": "Mg6 Zn1 Fe1\n1.0\n6.082481 -0.039688 0.000000\n-3.075612 5.327116 0.000000\n0.000000 0.000000 4.771826\nMg Zn Fe\n6 1 1\ndirect\n0.667619 0.335336 0.250000 Mg\n0.667619 0.832283 0.250000 Mg\n0.322435 0.153441 0.750001 Mg\n0.322436 0.668996 0.750001 Mg\n0.840894 0.170447 0.750001 Mg\n0.848319 0.674160 0.750001 Mg\n0.166859 0.333430 0.250000 Zn\n0.163820 0.831910 0.250000 Fe\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Fe"
],
"chemical_system": "Fe-Mg-Zn",
"density": 2.8792449636505295,
"density_atomic": 0.05193637495204996,
"volume": 154.03462423755926,
"volume_molar": 11.595227363403618,
"formula_full": "Mg6 Zn1 Fe1",
"formula_reduced": "Mg6ZnFe",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-64427",
"created_at": "2022-09-04T14:35:42.067231Z",
"updated_at": "2022-09-04T14:35:42.067256Z",
"structure_string": "Ba4 Mg1 Bi1\n1.0\n0.000000 5.111267 5.111267\n5.111267 -0.000000 5.111267\n5.111267 5.111267 0.000000\nBa Mg Bi\n4 1 1\ndirect\n0.129284 0.623572 0.623572 Ba\n0.623572 0.623572 0.623572 Ba\n0.623572 0.129284 0.623572 Ba\n0.623572 0.623572 0.129284 Ba\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Bi"
],
"chemical_system": "Ba-Bi-Mg",
"density": 4.865971698925109,
"density_atomic": 0.022466506757069536,
"volume": 267.0642154064285,
"volume_molar": 26.80497161894122,
"formula_full": "Ba4 Mg1 Bi1",
"formula_reduced": "Ba4MgBi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-2154",
"created_at": "2022-09-04T14:35:42.679069Z",
"updated_at": "2022-09-04T14:35:42.679091Z",
"structure_string": "Zn2 F4\n1.0\n4.745809 0.000000 0.000000\n0.000000 4.745809 0.000000\n0.000000 0.000000 3.179803\nZn F\n2 4\ndirect\n0.500000 0.500000 0.499999 Zn\n0.000000 0.000000 0.000000 Zn\n0.696844 0.696844 0.000000 F\n0.196843 0.803157 0.499999 F\n0.303157 0.303157 0.000000 F\n0.803157 0.196843 0.499999 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zn",
"F"
],
"chemical_system": "F-Zn",
"density": 4.795162098993239,
"density_atomic": 0.08377810340387323,
"volume": 71.6177587725459,
"volume_molar": 7.188203737399937,
"formula_full": "Zn2 F4",
"formula_reduced": "ZnF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 136
},
{
"id": "jvasp-88791",
"created_at": "2022-09-04T14:35:47.473277Z",
"updated_at": "2022-09-04T14:35:47.473304Z",
"structure_string": "Ba2 Cu2 Te2 F2\n1.0\n4.464864 0.000000 0.000000\n0.000000 4.464864 -0.000000\n-0.000000 0.000000 9.374175\nBa Cu Te F\n2 2 2 2\ndirect\n0.749999 0.749999 0.658180 Ba\n0.250000 0.250000 0.341819 Ba\n0.749999 0.250000 0.000000 Cu\n0.250000 0.749999 0.000000 Cu\n0.250000 0.250000 0.836994 Te\n0.749999 0.749999 0.163006 Te\n0.250000 0.749999 0.500000 F\n0.749999 0.250000 0.500000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"Te",
"F"
],
"chemical_system": "Ba-Cu-F-Te",
"density": 6.1751659727837405,
"density_atomic": 0.04280953007912716,
"volume": 186.87427741470577,
"volume_molar": 14.067290037683088,
"formula_full": "Ba2 Cu2 Te2 F2",
"formula_reduced": "BaCuTeF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-97337",
"created_at": "2022-09-04T14:35:47.570958Z",
"updated_at": "2022-09-04T14:35:47.570993Z",
"structure_string": "Na12 Hg8\n1.0\n7.745991 0.000000 0.000000\n0.000000 8.449348 0.000000\n0.000000 0.000000 8.449348\nNa Hg\n12 8\ndirect\n0.750000 0.500000 0.000000 Na\n0.000000 0.697478 0.302522 Na\n0.500000 0.197478 0.197478 Na\n0.000000 0.302522 0.697478 Na\n0.000000 0.140497 0.140497 Na\n0.500000 0.359503 0.640497 Na\n0.500000 0.802522 0.802522 Na\n0.000000 0.859503 0.859503 Na\n0.250000 0.000000 0.500000 Na\n0.750000 0.000000 0.500000 Na\n0.250000 0.500000 0.000000 Na\n0.500000 0.640497 0.359503 Na\n0.698620 0.130498 0.869502 Hg\n0.801380 0.630498 0.630498 Hg\n0.801380 0.369502 0.369502 Hg\n0.301380 0.130498 0.869502 Hg\n0.301380 0.869502 0.130498 Hg\n0.198620 0.630498 0.630498 Hg\n0.698620 0.869502 0.130498 Hg\n0.198620 0.369502 0.369502 Hg\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Na",
"Hg"
],
"chemical_system": "Hg-Na",
"density": 5.647048355742262,
"density_atomic": 0.03616651085247577,
"volume": 552.9977741447211,
"volume_molar": 16.651152179330996,
"formula_full": "Na12 Hg8",
"formula_reduced": "Na3Hg2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.0,
"spacegroup": 136
},
{
"id": "jvasp-92873",
"created_at": "2022-09-04T14:35:43.799390Z",
"updated_at": "2022-09-04T14:35:43.799415Z",
"structure_string": "Ba1 Mg6 Sb1\n1.0\n7.715098 -0.631171 0.000000\n-4.404159 6.365885 0.000000\n0.000000 0.000000 4.903498\nBa Mg Sb\n1 6 1\ndirect\n0.206702 0.293298 0.250000 Ba\n0.158176 0.787062 0.250000 Mg\n0.712937 0.341823 0.250000 Mg\n0.628746 0.871253 0.250000 Mg\n0.303984 0.676558 0.750000 Mg\n0.823442 0.196016 0.750000 Mg\n0.780632 0.719367 0.750000 Mg\n0.385381 0.114619 0.750000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Sb"
],
"chemical_system": "Ba-Mg-Sb",
"density": 2.959460851253736,
"density_atomic": 0.035211739346322185,
"volume": 227.1969561434229,
"volume_molar": 17.102650626740495,
"formula_full": "Ba1 Mg6 Sb1",
"formula_reduced": "BaMg6Sb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-107999",
"created_at": "2022-09-04T14:35:42.037321Z",
"updated_at": "2022-09-04T14:35:42.037347Z",
"structure_string": "Yb2 Ag1 Sb1\n1.0\n4.541945 -0.000000 2.622293\n1.513982 4.282187 2.622293\n-0.000000 -0.000000 5.244586\nYb Ag Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750001 0.749999 Yb\n0.500000 0.500000 0.499999 Ag\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ag",
"Sb"
],
"chemical_system": "Ag-Sb-Yb",
"density": 9.37201126339923,
"density_atomic": 0.039214012273578805,
"volume": 102.00435426229203,
"volume_molar": 15.357114487510714,
"formula_full": "Yb2 Ag1 Sb1",
"formula_reduced": "Yb2AgSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105667",
"created_at": "2022-09-04T14:35:41.330637Z",
"updated_at": "2022-09-04T14:35:41.330656Z",
"structure_string": "Rb2 Y1 Ag1 Br6\n1.0\n6.823934 0.000000 3.939800\n2.274644 6.433666 3.939800\n-0.000000 -0.000000 7.879600\nRb Y Ag Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.748186 0.251814 0.251814 Br\n0.251813 0.251814 0.748187 Br\n0.251813 0.748187 0.748187 Br\n0.251813 0.748187 0.251814 Br\n0.748186 0.251814 0.748187 Br\n0.748185 0.748187 0.251814 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Y",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Rb-Y",
"density": 4.066338518623428,
"density_atomic": 0.028906965206048317,
"volume": 345.93738667204195,
"volume_molar": 20.832836366855844,
"formula_full": "Rb2 Y1 Ag1 Br6",
"formula_reduced": "Rb2YAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-91883",
"created_at": "2022-09-04T14:35:42.066761Z",
"updated_at": "2022-09-04T14:35:42.066798Z",
"structure_string": "Mg7 Cu1\n1.0\n6.222183 0.000000 -0.000000\n-3.111092 5.388569 0.000000\n0.000000 0.000000 4.949570\nMg Cu\n7 1\ndirect\n0.165710 0.832854 0.250000 Mg\n0.667146 0.334291 0.250000 Mg\n0.667146 0.832854 0.250000 Mg\n0.327437 0.172563 0.750000 Mg\n0.327438 0.654876 0.750000 Mg\n0.845124 0.172563 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Cu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Cu"
],
"chemical_system": "Cu-Mg",
"density": 2.3382384671093512,
"density_atomic": 0.04820657626163978,
"volume": 165.95246168448543,
"volume_molar": 12.492363546655975,
"formula_full": "Mg7 Cu1",
"formula_reduced": "Mg7Cu",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-66662",
"created_at": "2022-09-04T14:36:17.677759Z",
"updated_at": "2022-09-04T14:36:17.677784Z",
"structure_string": "Ba1 Mg1 Hg1\n1.0\n-0.000000 3.963645 3.963645\n3.963645 -0.000000 3.963645\n3.963645 3.963645 0.000000\nBa Mg Hg\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Mg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Hg"
],
"chemical_system": "Ba-Hg-Mg",
"density": 4.829583452250351,
"density_atomic": 0.024088347509264467,
"volume": 124.54154436480913,
"volume_molar": 25.000223687755515,
"formula_full": "Ba1 Mg1 Hg1",
"formula_reduced": "BaMgHg",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
}
]
}