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=853",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=851",
"results": [
{
"id": "jvasp-3636",
"created_at": "2022-09-04T14:36:00.005922Z",
"updated_at": "2022-09-04T14:36:00.005942Z",
"structure_string": "As2 I6\n1.0\n6.310092 -0.097687 4.798134\n2.324383 5.867204 4.798132\n-0.146194 -0.097683 7.925780\nAs I\n2 6\ndirect\n0.173977 0.173977 0.173977 As\n0.826023 0.826023 0.826023 As\n0.420736 0.072042 0.756167 I\n0.756167 0.420735 0.072042 I\n0.072042 0.756167 0.420736 I\n0.579264 0.927957 0.243833 I\n0.243833 0.579264 0.927957 I\n0.927958 0.243833 0.579264 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"As",
"I"
],
"chemical_system": "As-I",
"density": 5.022488408431534,
"density_atomic": 0.026552948309652925,
"volume": 301.2848105116719,
"volume_molar": 22.679744221890196,
"formula_full": "As2 I6",
"formula_reduced": "AsI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.28959764375,
"spacegroup": 148
},
{
"id": "jvasp-35849",
"created_at": "2022-09-04T14:37:33.125738Z",
"updated_at": "2022-09-04T14:37:33.125759Z",
"structure_string": "Dy2 Al2 Zn2\n1.0\n4.472575 -0.000000 0.000000\n-2.236287 3.873315 -0.000000\n-0.000000 -0.000000 7.157563\nDy Al Zn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.333345 0.666692 0.250000 Al\n0.666654 0.333309 0.750000 Al\n0.333341 0.666684 0.750000 Zn\n0.666658 0.333317 0.250000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Al",
"Zn"
],
"chemical_system": "Al-Dy-Zn",
"density": 6.826957184338452,
"density_atomic": 0.04838888571533721,
"volume": 123.99541570965036,
"volume_molar": 12.445297449970495,
"formula_full": "Dy2 Al2 Zn2",
"formula_reduced": "DyAlZn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2896499,
"spacegroup": 194
},
{
"id": "jvasp-117347",
"created_at": "2022-09-04T14:38:26.483302Z",
"updated_at": "2022-09-04T14:38:26.483321Z",
"structure_string": "Sb4 Cl14 F6\n1.0\n7.476133 0.035048 6.368280\n3.616891 6.543080 6.368280\n0.048542 0.028785 12.698373\nSb Cl F\n4 14 6\ndirect\n0.243785 0.212183 0.821663 Sb\n0.787817 0.756215 0.178337 Sb\n0.011065 0.890586 0.276460 Sb\n0.109414 -0.011065 0.723540 Sb\n0.099341 0.450329 0.189279 Cl\n0.549670 0.900659 0.810721 Cl\n0.289891 0.135124 0.479326 Cl\n0.864876 0.710109 0.520674 Cl\n0.600743 0.650011 0.431863 Cl\n0.349989 0.399257 0.568137 Cl\n0.701269 0.697760 0.083765 Cl\n0.310649 0.605881 0.208363 Cl\n0.394118 0.689351 0.791637 Cl\n0.787255 0.282265 0.738899 Cl\n0.717735 0.212745 0.261101 Cl\n0.041077 0.839201 0.688024 Cl\n0.160799 -0.041077 0.311975 Cl\n0.302239 0.298731 0.916235 Cl\n0.119083 0.042452 0.038132 F\n0.144257 0.116838 0.787929 F\n0.883162 0.855743 0.212071 F\n-0.037603 0.423195 0.855231 F\n0.576805 0.037602 0.144768 F\n0.957547 0.880918 0.961868 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sb",
"Cl",
"F"
],
"chemical_system": "Cl-F-Sb",
"density": 2.9541534481485576,
"density_atomic": 0.0389082012697363,
"volume": 616.8365336042341,
"volume_molar": 15.477818463646532,
"formula_full": "Sb4 Cl14 F6",
"formula_reduced": "Sb2Cl7F3",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 0.2896623424739584,
"spacegroup": 5
},
{
"id": "jvasp-56835",
"created_at": "2022-09-04T14:37:34.166922Z",
"updated_at": "2022-09-04T14:37:34.166950Z",
"structure_string": "Rb2 U1 Br6\n1.0\n6.657007 -0.000000 3.843425\n2.219003 6.276287 3.843425\n0.000000 -0.000000 7.686850\nRb U Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 U\n0.254653 0.745347 0.745346 Br\n0.745347 0.254654 0.254653 Br\n0.745347 0.254654 0.745346 Br\n0.254653 0.745347 0.254653 Br\n0.254653 0.254654 0.745346 Br\n0.745347 0.745347 0.254652 Br\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"U",
"Br"
],
"chemical_system": "Br-Rb-U",
"density": 4.593268318739683,
"density_atomic": 0.028022849525724126,
"volume": 321.1664820787862,
"volume_molar": 21.490108471916308,
"formula_full": "Rb2 U1 Br6",
"formula_reduced": "Rb2UBr6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.2898700699999999,
"spacegroup": 225
},
{
"id": "jvasp-114625",
"created_at": "2022-09-04T14:38:41.497301Z",
"updated_at": "2022-09-04T14:38:41.497333Z",
"structure_string": "Ba1 Ag1 O1\n1.0\n5.803761 -2.032976 0.000000\n-4.291417 5.871730 0.000000\n0.000000 0.000000 3.866895\nBa Ag O\n1 1 1\ndirect\n0.088717 0.334258 0.000000 Ba\n0.137269 -0.157138 0.000000 Ag\n0.774013 0.822879 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"O"
],
"chemical_system": "Ag-Ba-O",
"density": 4.423931246628367,
"density_atomic": 0.03059964105953766,
"volume": 98.04036570765344,
"volume_molar": 19.680429415112197,
"formula_full": "Ba1 Ag1 O1",
"formula_reduced": "BaAgO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2899389099999998,
"spacegroup": 25
},
{
"id": "jvasp-50881",
"created_at": "2022-09-04T14:36:31.385664Z",
"updated_at": "2022-09-04T14:36:31.385693Z",
"structure_string": "Ba1 Y2 F8\n1.0\n5.421802 0.000000 0.000000\n0.000000 5.421657 0.000000\n0.000000 0.000000 6.334952\nBa Y F\n1 2 8\ndirect\n0.000000 0.999692 0.500000 Ba\n0.500000 0.999652 0.000000 Y\n0.000000 0.499659 0.000000 Y\n0.752715 0.246955 0.799276 F\n0.247284 0.246955 0.200724 F\n0.752715 0.246955 0.200724 F\n0.247284 0.246955 0.799276 F\n0.752714 0.752385 0.799273 F\n0.752714 0.752385 0.200727 F\n0.247286 0.752385 0.799273 F\n0.247286 0.752385 0.200727 F\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ba",
"Y",
"F"
],
"chemical_system": "Ba-F-Y",
"density": 4.165470357676678,
"density_atomic": 0.05907091044493699,
"volume": 186.2168691348284,
"volume_molar": 10.194765434694874,
"formula_full": "Ba1 Y2 F8",
"formula_reduced": "BaY2F8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.2901623906818182,
"spacegroup": 123
},
{
"id": "jvasp-16575",
"created_at": "2022-09-04T14:37:44.450785Z",
"updated_at": "2022-09-04T14:37:44.450808Z",
"structure_string": "Mg1 Tl1\n1.0\n3.658627 -0.000000 0.000000\n-0.000000 3.658627 -0.000000\n-0.000000 -0.000000 3.658627\nMg Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Tl"
],
"chemical_system": "Mg-Tl",
"density": 7.75422928185187,
"density_atomic": 0.04083904619236155,
"volume": 48.972740219728145,
"volume_molar": 14.74603675030581,
"formula_full": "Mg1 Tl1",
"formula_reduced": "MgTl",
"formula_anonymous": "AB",
"energy_above_hull": 0.2902976923076922,
"spacegroup": 221
},
{
"id": "jvasp-50764",
"created_at": "2022-09-04T14:38:07.944184Z",
"updated_at": "2022-09-04T14:38:07.944201Z",
"structure_string": "Bi4 O4 F4\n1.0\n3.962319 -0.000000 0.000000\n-0.000000 5.872638 0.000000\n0.000000 0.000000 8.185363\nBi O F\n4 4 4\ndirect\n0.250000 0.290133 0.113145 Bi\n0.750000 0.790133 0.386854 Bi\n0.250000 0.209867 0.613145 Bi\n0.750000 0.709868 0.886854 Bi\n0.750000 0.490870 0.116720 O\n0.250000 0.990870 0.383279 O\n0.750000 0.009130 0.616720 O\n0.250000 0.509131 0.883279 O\n0.750000 0.980648 0.123947 F\n0.250000 0.480648 0.376053 F\n0.750000 0.519353 0.623947 F\n0.250000 0.019353 0.876052 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"O",
"F"
],
"chemical_system": "Bi-F-O",
"density": 8.508235561558593,
"density_atomic": 0.06300291360041893,
"volume": 190.46738181200888,
"volume_molar": 9.558511528838176,
"formula_full": "Bi4 O4 F4",
"formula_reduced": "BiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2903060275000002,
"spacegroup": 62
},
{
"id": "jvasp-114036",
"created_at": "2022-09-04T14:38:47.003622Z",
"updated_at": "2022-09-04T14:38:47.003656Z",
"structure_string": "Ba1 Cd1 Se2\n1.0\n4.412356 0.000000 -0.000000\n0.000000 4.412356 0.000000\n0.000000 0.000000 6.589758\nBa Cd Se\n1 1 2\ndirect\n0.500000 0.500000 0.513270 Ba\n0.000000 0.000000 0.044773 Cd\n0.000000 0.000000 0.451320 Se\n0.500000 0.500000 0.000637 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Se"
],
"chemical_system": "Ba-Cd-Se",
"density": 5.27636110940305,
"density_atomic": 0.03117808487741752,
"volume": 128.2952437818663,
"volume_molar": 19.315300422322842,
"formula_full": "Ba1 Cd1 Se2",
"formula_reduced": "BaCdSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.29033200875,
"spacegroup": 99
},
{
"id": "jvasp-76831",
"created_at": "2022-09-04T14:37:13.957859Z",
"updated_at": "2022-09-04T14:37:13.957889Z",
"structure_string": "Na1 Tl2 In1\n1.0\n-10.395747 -0.000954 -6.003545\n-10.852454 -0.019878 6.794814\n-7.072847 10.670465 0.248343\nNa Tl In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.739466 0.000000 0.000001 Tl\n0.260534 -0.000001 -0.000001 Tl\n0.500000 -0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Tl",
"In"
],
"chemical_system": "In-Na-Tl",
"density": 0.6259862730937711,
"density_atomic": 0.0027588395384636538,
"volume": 1449.8849767201486,
"volume_molar": 218.28528539045146,
"formula_full": "Na1 Tl2 In1",
"formula_reduced": "NaTl2In",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.290335,
"spacegroup": 71
},
{
"id": "jvasp-105202",
"created_at": "2022-09-04T14:36:48.364246Z",
"updated_at": "2022-09-04T14:36:48.364266Z",
"structure_string": "Mg1 Al1 Au2\n1.0\n3.974094 -0.000000 2.294444\n1.324698 3.746811 2.294444\n-0.000000 -0.000000 4.588888\nMg Al Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.749999 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Au"
],
"chemical_system": "Al-Au-Mg",
"density": 10.81972112974106,
"density_atomic": 0.0585399856065248,
"volume": 68.32936425515904,
"volume_molar": 10.287226239647007,
"formula_full": "Mg1 Al1 Au2",
"formula_reduced": "MgAlAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2904817474999999,
"spacegroup": 225
},
{
"id": "jvasp-117818",
"created_at": "2022-09-04T14:38:53.752521Z",
"updated_at": "2022-09-04T14:38:53.752544Z",
"structure_string": "In1 Sb1 Br1\n1.0\n3.311713 -0.000000 0.000000\n0.000000 3.311713 0.000000\n0.000000 -0.000000 8.711264\nIn Sb Br\n1 1 1\ndirect\n0.000000 0.000000 0.323008 In\n0.000000 0.000000 0.688086 Sb\n0.000000 0.000000 -0.002605 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"In",
"Sb",
"Br"
],
"chemical_system": "Br-In-Sb",
"density": 5.500618823387859,
"density_atomic": 0.031400364791357556,
"volume": 95.54029132889889,
"volume_molar": 19.178569421134554,
"formula_full": "In1 Sb1 Br1",
"formula_reduced": "InSbBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.290516725,
"spacegroup": 99
}
]
}