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=4554",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4552",
"results": [
{
"id": "jvasp-110477",
"created_at": "2022-09-04T14:38:38.962322Z",
"updated_at": "2022-09-04T14:38:38.962337Z",
"structure_string": "Tl3 Cl1\n1.0\n4.936005 -0.000000 -0.000000\n0.000000 4.936005 -0.000000\n0.000000 0.000000 4.936005\nTl Cl\n3 1\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"Cl"
],
"chemical_system": "Cl-Tl",
"density": 8.955734513682643,
"density_atomic": 0.033260840412045654,
"volume": 120.2615433178102,
"volume_molar": 18.10579854686726,
"formula_full": "Tl3 Cl1",
"formula_reduced": "Tl3Cl",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-117568",
"created_at": "2022-09-04T14:38:35.924129Z",
"updated_at": "2022-09-04T14:38:35.924153Z",
"structure_string": "Ba1 Sn1 Cl2\n1.0\n4.329196 0.000000 -0.000000\n0.000000 4.329196 0.000000\n-0.000000 0.000000 6.788044\nBa Sn Cl\n1 1 2\ndirect\n0.500000 0.500000 0.558046 Ba\n0.000000 0.000000 0.883376 Sn\n0.000000 0.000000 0.446417 Cl\n0.500000 0.500000 0.122160 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"Cl"
],
"chemical_system": "Ba-Cl-Sn",
"density": 4.267386658068577,
"density_atomic": 0.031441325418945704,
"volume": 127.22109983282407,
"volume_molar": 19.153584270881975,
"formula_full": "Ba1 Sn1 Cl2",
"formula_reduced": "BaSnCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-12369",
"created_at": "2022-09-04T14:38:35.978164Z",
"updated_at": "2022-09-04T14:38:35.978185Z",
"structure_string": "Ba8 Pb4\n1.0\n5.743665 0.000000 0.000000\n0.000000 8.621486 0.000000\n0.000000 0.000000 10.724273\nBa Pb\n8 4\ndirect\n0.250000 0.518667 0.183979 Ba\n0.749999 0.481333 0.816020 Ba\n0.250000 0.018667 0.316020 Ba\n0.749999 0.981334 0.683979 Ba\n0.749999 0.839006 0.080315 Ba\n0.250000 0.160995 0.919685 Ba\n0.749999 0.339005 0.419685 Ba\n0.250000 0.660995 0.580314 Ba\n0.250000 0.745275 0.899581 Pb\n0.749999 0.254725 0.100419 Pb\n0.250000 0.245275 0.600419 Pb\n0.749999 0.754725 0.399581 Pb\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ba",
"Pb"
],
"chemical_system": "Ba-Pb",
"density": 6.026781789737446,
"density_atomic": 0.022596550996865913,
"volume": 531.0544959566781,
"volume_molar": 26.650707715683055,
"formula_full": "Ba8 Pb4",
"formula_reduced": "Ba2Pb",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-110703",
"created_at": "2022-09-04T14:38:43.116519Z",
"updated_at": "2022-09-04T14:38:43.116540Z",
"structure_string": "Rb2 Tb1 Ag1 Cl6\n1.0\n6.507590 -0.000000 3.757159\n2.169197 6.135415 3.757159\n-0.000000 -0.000000 7.514318\nTb Rb Ag Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750001 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.752893 0.247107 0.247108 Cl\n0.247108 0.247107 0.752893 Cl\n0.247108 0.752892 0.752893 Cl\n0.247108 0.752892 0.247108 Cl\n0.752893 0.247107 0.752893 Cl\n0.752893 0.752892 0.247108 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tb",
"Rb",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Rb-Tb",
"density": 3.600040740642022,
"density_atomic": 0.03333084338884879,
"volume": 300.0224111744383,
"volume_molar": 18.06777191247064,
"formula_full": "Rb2 Tb1 Ag1 Cl6",
"formula_reduced": "Rb2TbAgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-59000",
"created_at": "2022-09-04T14:38:35.919953Z",
"updated_at": "2022-09-04T14:38:35.919971Z",
"structure_string": "Na6 Sc2 Br12\n1.0\n3.614188 -6.259956 0.000000\n3.614188 6.259956 0.000000\n-0.000000 0.000000 13.023071\nNa Sc Br\n6 2 12\ndirect\n0.666667 0.333333 0.536278 Na\n0.666667 0.333333 0.963722 Na\n0.333333 0.666667 0.463722 Na\n0.333333 0.666667 0.036278 Na\n0.000000 0.000000 0.250000 Na\n0.000000 0.000000 0.750000 Na\n0.666667 0.333333 0.250000 Sc\n0.333333 0.666667 0.750000 Sc\n0.638041 0.956633 0.870786 Br\n0.043367 0.361959 0.629214 Br\n0.638041 0.681409 0.629214 Br\n0.318592 0.956633 0.629214 Br\n0.681409 0.638041 0.129214 Br\n0.956633 0.638041 0.370786 Br\n0.681409 0.043367 0.370786 Br\n0.361959 0.318592 0.370786 Br\n0.043367 0.681409 0.870786 Br\n0.361959 0.043367 0.129214 Br\n0.956633 0.318592 0.129214 Br\n0.318592 0.361959 0.870786 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Sc",
"Br"
],
"chemical_system": "Br-Na-Sc",
"density": 3.3439828743491384,
"density_atomic": 0.03393943212860288,
"volume": 589.285051211707,
"volume_molar": 17.743787630803542,
"formula_full": "Na6 Sc2 Br12",
"formula_reduced": "Na3ScBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 163
},
{
"id": "jvasp-110609",
"created_at": "2022-09-04T14:38:38.894629Z",
"updated_at": "2022-09-04T14:38:38.894641Z",
"structure_string": "Ca2 Zn3 Ag1\n1.0\n4.481469 0.038442 3.624106\n2.094267 3.962208 3.624106\n0.005712 0.003475 7.318939\nCa Zn Ag\n2 3 1\ndirect\n0.547721 0.547720 0.699482 Ca\n0.452684 0.452683 0.297086 Ca\n0.828344 0.828342 0.732490 Zn\n0.842590 0.842590 0.099783 Zn\n0.166841 0.166839 0.886593 Zn\n0.161825 0.161824 0.284571 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ag"
],
"chemical_system": "Ag-Ca-Zn",
"density": 4.93634901840799,
"density_atomic": 0.04641867919675549,
"volume": 129.25830945270368,
"volume_molar": 12.973528898730336,
"formula_full": "Ca2 Zn3 Ag1",
"formula_reduced": "Ca2Zn3Ag",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-117561",
"created_at": "2022-09-04T14:38:35.807535Z",
"updated_at": "2022-09-04T14:38:35.807568Z",
"structure_string": "Ba1 Se1 Cl1\n1.0\n-0.000000 3.780482 3.780482\n3.780482 -0.000000 3.780482\n3.780482 3.780482 -0.000000\nBa Se Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Se",
"Cl"
],
"chemical_system": "Ba-Cl-Se",
"density": 3.868386026671686,
"density_atomic": 0.02776193514103988,
"volume": 108.06163132213229,
"volume_molar": 21.692078485903515,
"formula_full": "Ba1 Se1 Cl1",
"formula_reduced": "BaSeCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-59058",
"created_at": "2022-09-04T14:38:35.791649Z",
"updated_at": "2022-09-04T14:38:35.791658Z",
"structure_string": "Ba8 I12 O2\n1.0\n5.476473 -9.485529 -0.000000\n5.476473 9.485529 0.000000\n-0.000000 -0.000000 8.462760\nBa I O\n8 12 2\ndirect\n0.406870 0.203435 0.128198 Ba\n0.203435 0.406870 0.628198 Ba\n0.203435 0.796565 0.628198 Ba\n0.796565 0.203435 0.128198 Ba\n0.796565 0.593130 0.128198 Ba\n0.593130 0.796565 0.628198 Ba\n0.666667 0.333333 0.525309 Ba\n0.333333 0.666667 0.025309 Ba\n0.467871 0.935741 0.325924 I\n0.532129 0.467871 0.825924 I\n0.935741 0.467871 0.825924 I\n0.064258 0.532129 0.325924 I\n0.467871 0.532129 0.325924 I\n0.532129 0.064258 0.825924 I\n0.136874 0.863126 0.013655 I\n0.863125 0.726251 0.513655 I\n0.863126 0.136874 0.513655 I\n0.136874 0.273748 0.013655 I\n0.273748 0.136874 0.513655 I\n0.726251 0.863125 0.013655 I\n0.666667 0.333333 0.223247 O\n0.333333 0.666667 0.723247 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"I",
"O"
],
"chemical_system": "Ba-I-O",
"density": 5.01139340017463,
"density_atomic": 0.025021777245647255,
"volume": 879.2341081138464,
"volume_molar": 24.06759800024837,
"formula_full": "Ba8 I12 O2",
"formula_reduced": "Ba4I6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-110346",
"created_at": "2022-09-04T14:38:39.000007Z",
"updated_at": "2022-09-04T14:38:39.000031Z",
"structure_string": "K2 Tl1 As1 Cl6\n1.0\n6.650644 -0.000000 3.839751\n2.216882 6.270287 3.839751\n0.000000 0.000000 7.679502\nK Tl As Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.769725 0.230274 0.230274 Cl\n0.230274 0.230274 0.769726 Cl\n0.230274 0.769726 0.769726 Cl\n0.230274 0.769726 0.230274 Cl\n0.769725 0.230274 0.769726 Cl\n0.769725 0.769726 0.230274 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"As",
"Cl"
],
"chemical_system": "As-Cl-K-Tl",
"density": 2.9566981104572085,
"density_atomic": 0.0312259616027733,
"volume": 320.2463426814648,
"volume_molar": 19.285685535029767,
"formula_full": "K2 Tl1 As1 Cl6",
"formula_reduced": "K2TlAsCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-114781",
"created_at": "2022-09-04T14:38:43.299928Z",
"updated_at": "2022-09-04T14:38:43.299951Z",
"structure_string": "Rb1 Na1 Cl2\n1.0\n4.390895 0.000000 -0.000000\n-0.000000 4.390895 -0.000000\n-0.000000 -0.000000 6.303019\nRb Na Cl\n1 1 2\ndirect\n0.500000 0.500000 0.507023 Rb\n0.000000 0.000000 0.025228 Na\n0.000000 0.000000 0.473580 Cl\n0.500000 0.500000 0.004169 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Na",
"Cl"
],
"chemical_system": "Cl-Na-Rb",
"density": 2.450917061480882,
"density_atomic": 0.03291586490985358,
"volume": 121.52194727237972,
"volume_molar": 18.295556797589217,
"formula_full": "Rb1 Na1 Cl2",
"formula_reduced": "RbNaCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-114592",
"created_at": "2022-09-04T14:38:42.573145Z",
"updated_at": "2022-09-04T14:38:42.573175Z",
"structure_string": "Ba1 Zn1 Te1\n1.0\n-0.000000 3.968779 3.968779\n3.968779 -0.000000 3.968779\n3.968779 3.968779 -0.000000\nBa Zn Te\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Te"
],
"chemical_system": "Ba-Te-Zn",
"density": 4.387369979867869,
"density_atomic": 0.023994986553775546,
"volume": 125.02611715479199,
"volume_molar": 25.097495872746936,
"formula_full": "Ba1 Zn1 Te1",
"formula_reduced": "BaZnTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-106373",
"created_at": "2022-09-04T14:38:39.029642Z",
"updated_at": "2022-09-04T14:38:39.029651Z",
"structure_string": "Cd1 In1 Ag1 Te3\n1.0\n7.297240 -0.011318 3.274498\n5.836117 4.380591 3.274498\n0.004193 0.001395 6.549384\nCd In Ag Te\n1 1 1 3\ndirect\n0.664553 0.664551 0.336109 Cd\n0.335384 0.335382 0.652533 In\n-0.000473 -0.000473 0.011552 Ag\n0.500921 0.500919 0.241421 Te\n0.162952 0.162950 0.592697 Te\n0.836672 0.836669 0.915687 Te\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Cd",
"In",
"Ag",
"Te"
],
"chemical_system": "Ag-Cd-In-Te",
"density": 5.6841006466069794,
"density_atomic": 0.028608932476435544,
"volume": 209.72470765702457,
"volume_molar": 21.049861839340863,
"formula_full": "Cd1 In1 Ag1 Te3",
"formula_reduced": "CdInAgTe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.0,
"spacegroup": 8
}
]
}