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=-id&page=4581",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=4579",
"results": [
{
"id": "jvasp-100879",
"created_at": "2022-09-04T14:36:54.174428Z",
"updated_at": "2022-09-04T14:36:54.174455Z",
"structure_string": "K2 Li1 Au1 F6\n1.0\n5.071814 -0.000000 2.928213\n1.690605 4.781752 2.928213\n-0.000000 -0.000000 5.856426\nK Li Au F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Au\n0.742581 0.257419 0.257419 F\n0.257418 0.257419 0.742582 F\n0.257418 0.742581 0.742582 F\n0.257418 0.742581 0.257419 F\n0.742581 0.257419 0.742582 F\n0.742580 0.742581 0.257419 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Au",
"F"
],
"chemical_system": "Au-F-K-Li",
"density": 4.630895488280422,
"density_atomic": 0.07040718382860021,
"volume": 142.03096127724802,
"volume_molar": 8.553304410896969,
"formula_full": "K2 Li1 Au1 F6",
"formula_reduced": "K2LiAuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100877",
"created_at": "2022-09-04T14:36:52.924835Z",
"updated_at": "2022-09-04T14:36:52.924860Z",
"structure_string": "Na2 Ru1 Au1 F6\n1.0\n5.344072 -0.000000 3.085401\n1.781357 5.038439 3.085401\n-0.000000 -0.000000 6.170802\nNa Ru Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.749999 Na\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Au\n0.230465 0.230465 0.769534 F\n0.230466 0.769535 0.769534 F\n0.769535 0.769535 0.230465 F\n0.230466 0.769535 0.230465 F\n0.769535 0.230465 0.769534 F\n0.769535 0.230465 0.230465 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Ru",
"Au",
"F"
],
"chemical_system": "Au-F-Na-Ru",
"density": 4.5773154903435795,
"density_atomic": 0.06018525192272614,
"volume": 166.15366191104982,
"volume_molar": 10.006007398177927,
"formula_full": "Na2 Ru1 Au1 F6",
"formula_reduced": "Na2RuAuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.1433717765000001,
"spacegroup": 225
},
{
"id": "jvasp-100876",
"created_at": "2022-09-04T14:36:37.634911Z",
"updated_at": "2022-09-04T14:36:37.634931Z",
"structure_string": "Na2 Hg1 As1 Cl6\n1.0\n6.440868 -0.000000 3.718637\n2.146956 6.072509 3.718637\n-0.000000 -0.000000 7.437274\nNa Hg As Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.762196 0.237805 0.237805 Cl\n0.237805 0.237805 0.762195 Cl\n0.237805 0.762196 0.762195 Cl\n0.237805 0.762196 0.237805 Cl\n0.762196 0.237805 0.762195 Cl\n0.762196 0.762196 0.237805 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Hg",
"As",
"Cl"
],
"chemical_system": "As-Cl-Hg-Na",
"density": 3.0495380941698826,
"density_atomic": 0.034377449460941754,
"volume": 290.8883630637459,
"volume_molar": 17.517706678158625,
"formula_full": "Na2 Hg1 As1 Cl6",
"formula_reduced": "Na2HgAsCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100874",
"created_at": "2022-09-04T14:36:50.638351Z",
"updated_at": "2022-09-04T14:36:50.638366Z",
"structure_string": "Sr1 Ca1 I4\n1.0\n4.600020 -0.000000 0.000000\n0.000000 6.964293 0.021678\n-0.000000 0.001911 8.008578\nSr Ca I\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 -0.000000 0.500000 Ca\n-0.000000 0.254013 0.654974 I\n0.500000 0.263136 0.178863 I\n0.500000 0.736864 0.821137 I\n-0.000000 0.745986 0.345027 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"I"
],
"chemical_system": "Ca-I-Sr",
"density": 4.111941873649531,
"density_atomic": 0.023386186507990073,
"volume": 256.5617099628472,
"volume_molar": 25.75084551704267,
"formula_full": "Sr1 Ca1 I4",
"formula_reduced": "SrCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 10
},
{
"id": "jvasp-100873",
"created_at": "2022-09-04T14:36:36.790230Z",
"updated_at": "2022-09-04T14:36:36.790250Z",
"structure_string": "Yb2 Bi2 O6\n1.0\n5.111664 -0.006205 3.317096\n1.798601 4.784787 3.317096\n-0.008973 -0.006205 6.093617\nYb Bi O\n2 2 6\ndirect\n0.773591 0.773594 0.773593 Yb\n0.273591 0.273593 0.273592 Yb\n0.988749 0.988754 0.988752 Bi\n0.488750 0.488752 0.488752 Bi\n0.188821 0.604508 0.865917 O\n0.104507 0.688823 0.365917 O\n0.365916 0.104508 0.688822 O\n0.865915 0.188823 0.604508 O\n0.604506 0.865918 0.188823 O\n0.688821 0.365917 0.104508 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Yb",
"Bi",
"O"
],
"chemical_system": "Bi-O-Yb",
"density": 9.564331514200182,
"density_atomic": 0.06697123179523165,
"volume": 149.31784487069865,
"volume_molar": 8.992130797911912,
"formula_full": "Yb2 Bi2 O6",
"formula_reduced": "YbBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1322131,
"spacegroup": 161
},
{
"id": "jvasp-100872",
"created_at": "2022-09-04T14:36:36.595119Z",
"updated_at": "2022-09-04T14:36:36.595134Z",
"structure_string": "Ho2 Mo2 C3\n1.0\n5.624278 -0.002604 1.751734\n4.611350 3.219932 1.751734\n-0.015027 -0.004723 5.670912\nHo Mo C\n2 2 3\ndirect\n0.386294 0.386296 0.821067 Ho\n0.613705 0.613706 0.178931 Ho\n0.149538 0.149540 0.627906 Mo\n0.850460 0.850462 0.372093 Mo\n-0.000001 0.000001 0.500000 C\n0.729264 0.729266 0.742983 C\n0.270735 0.270736 0.257016 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ho",
"Mo",
"C"
],
"chemical_system": "C-Ho-Mo",
"density": 9.00447518994878,
"density_atomic": 0.06805343688502435,
"volume": 102.86034505246862,
"volume_molar": 8.849135378973363,
"formula_full": "Ho2 Mo2 C3",
"formula_reduced": "Ho2Mo2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 5.297454704761905,
"spacegroup": 12
},
{
"id": "jvasp-100871",
"created_at": "2022-09-04T14:36:46.963264Z",
"updated_at": "2022-09-04T14:36:46.963284Z",
"structure_string": "Y2 Ag2 Se4\n1.0\n5.127342 -0.007292 -2.172109\n-0.969216 5.194830 -2.305602\n0.077481 -0.067861 7.321007\nY Ag Se\n2 2 4\ndirect\n0.010008 0.001458 0.023787 Y\n0.255102 0.765697 0.513981 Y\n0.485705 0.588543 0.974955 Ag\n0.706316 0.091874 0.416648 Ag\n0.775126 0.720091 0.553997 Se\n0.246593 0.249595 0.497075 Se\n0.492499 0.068589 0.988740 Se\n0.019972 0.524221 0.043604 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Y",
"Ag",
"Se"
],
"chemical_system": "Ag-Se-Y",
"density": 6.044615525918577,
"density_atomic": 0.04105118261751805,
"volume": 194.87867315632718,
"volume_molar": 14.669835010867946,
"formula_full": "Y2 Ag2 Se4",
"formula_reduced": "YAgSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0367898608333332,
"spacegroup": 8
},
{
"id": "jvasp-100870",
"created_at": "2022-09-04T14:36:35.384783Z",
"updated_at": "2022-09-04T14:36:35.384806Z",
"structure_string": "Ca1 Mg3\n1.0\n4.540417 -0.000000 2.621411\n1.513472 4.280746 2.621411\n-0.000000 -0.000000 5.242822\nCa Mg\n1 3\ndirect\n0.500000 0.500000 0.499999 Ca\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750001 0.749999 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.8412820659282259,
"density_atomic": 0.039253616715071944,
"volume": 101.90143825560276,
"volume_molar": 15.341620120542215,
"formula_full": "Ca1 Mg3",
"formula_reduced": "CaMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0837955,
"spacegroup": 225
},
{
"id": "jvasp-10087",
"created_at": "2022-09-04T14:37:02.373879Z",
"updated_at": "2022-09-04T14:37:02.373905Z",
"structure_string": "N8 O4\n1.0\n5.586263 0.000000 -0.000000\n-0.000000 5.586263 0.000000\n-0.000000 0.000000 5.586263\nN O\n8 4\ndirect\n0.123383 0.376617 0.623382 N\n0.376617 0.623382 0.123383 N\n0.623382 0.123383 0.376617 N\n0.876617 0.876617 0.876617 N\n0.123383 0.123383 0.123383 N\n0.376617 0.876617 0.623382 N\n0.623382 0.376617 0.876617 N\n0.876617 0.623382 0.376617 N\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"N",
"O"
],
"chemical_system": "N-O",
"density": 1.6769648208229864,
"density_atomic": 0.06883623539552704,
"volume": 174.32679069459627,
"volume_molar": 8.748503931682642,
"formula_full": "N8 O4",
"formula_reduced": "N2O",
"formula_anonymous": "AB2",
"energy_above_hull": 4.2868966666666655,
"spacegroup": 205
},
{
"id": "jvasp-100869",
"created_at": "2022-09-04T14:36:43.658227Z",
"updated_at": "2022-09-04T14:36:43.658246Z",
"structure_string": "Rb2 Tm1 Ag1 Cl6\n1.0\n6.452356 -0.000000 3.725270\n2.150785 6.083340 3.725270\n-0.000000 -0.000000 7.450539\nRb Tm Ag Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tm\n0.500001 0.500000 0.500000 Ag\n0.755176 0.244824 0.244824 Cl\n0.244825 0.244824 0.755176 Cl\n0.244825 0.755176 0.755176 Cl\n0.244825 0.755176 0.244824 Cl\n0.755176 0.244824 0.755176 Cl\n0.755177 0.755176 0.244824 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tm",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Rb-Tm",
"density": 3.7501176311776856,
"density_atomic": 0.03419415662416978,
"volume": 292.4476281111611,
"volume_molar": 17.61160781413545,
"formula_full": "Rb2 Tm1 Ag1 Cl6",
"formula_reduced": "Rb2TmAgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100868",
"created_at": "2022-09-04T14:36:42.822130Z",
"updated_at": "2022-09-04T14:36:42.822151Z",
"structure_string": "Sm2 I6\n1.0\n10.491415 0.000000 0.000000\n-5.245708 9.085832 0.000000\n-0.000000 -0.000000 4.071583\nSm I\n2 6\ndirect\n0.333333 0.666667 0.749999 Sm\n0.666667 0.333333 0.250000 Sm\n0.204523 0.409046 0.250000 I\n0.590954 0.795477 0.250000 I\n0.204523 0.795477 0.250000 I\n0.795477 0.590953 0.749999 I\n0.409047 0.204523 0.749999 I\n0.795477 0.204523 0.749999 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sm",
"I"
],
"chemical_system": "I-Sm",
"density": 4.544348082793849,
"density_atomic": 0.0206123698239594,
"volume": 388.11645959801103,
"volume_molar": 29.216149387150942,
"formula_full": "Sm2 I6",
"formula_reduced": "SmI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-100867",
"created_at": "2022-09-04T14:36:42.056555Z",
"updated_at": "2022-09-04T14:36:42.056580Z",
"structure_string": "Li2 Cu2 S2\n1.0\n3.927073 -0.000000 0.000000\n0.000000 3.934586 0.000000\n0.000000 -0.000000 5.577800\nLi Cu S\n2 2 2\ndirect\n-0.000000 0.749953 -0.080887 Li\n0.500000 0.250048 0.419113 Li\n-0.000000 0.750114 0.419323 Cu\n0.500000 0.249887 0.919323 Cu\n-0.000000 0.250032 0.669343 S\n0.500000 0.749969 0.169343 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Cu",
"S"
],
"chemical_system": "Cu-Li-S",
"density": 3.9517755781422395,
"density_atomic": 0.06961780011621542,
"volume": 86.18485487883832,
"volume_molar": 8.650288791008952,
"formula_full": "Li2 Cu2 S2",
"formula_reduced": "LiCuS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3680634833333334,
"spacegroup": 216
}
]
}