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=formula_anonymous&page=4462",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4460",
"results": [
{
"id": "jvasp-8191",
"created_at": "2022-09-04T14:37:50.256060Z",
"updated_at": "2022-09-04T14:37:50.256090Z",
"structure_string": "Zr1 Pd1 F6\n1.0\n4.788340 0.126135 3.321802\n1.805173 4.436830 3.321802\n0.182265 0.126134 5.824890\nZr Pd F\n1 1 6\ndirect\n0.500000 0.499999 0.500001 Zr\n0.000000 0.000000 0.000000 Pd\n0.592202 0.257904 0.887916 F\n0.257904 0.887914 0.592203 F\n0.112084 0.407797 0.742096 F\n0.742095 0.112084 0.407798 F\n0.407797 0.742094 0.112085 F\n0.887915 0.592201 0.257905 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Pd",
"F"
],
"chemical_system": "F-Pd-Zr",
"density": 4.364573765318392,
"density_atomic": 0.0674741324111962,
"volume": 118.56395501681968,
"volume_molar": 8.925110327169953,
"formula_full": "Zr1 Pd1 F6",
"formula_reduced": "ZrPdF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.386850236875,
"spacegroup": 148
},
{
"id": "jvasp-57181",
"created_at": "2022-09-04T14:37:58.691292Z",
"updated_at": "2022-09-04T14:37:58.691308Z",
"structure_string": "Co1 Sn1 F6\n1.0\n4.573513 0.072422 3.098808\n1.681332 4.253868 3.098808\n0.104706 0.072422 5.523466\nCo Sn F\n1 1 6\ndirect\n0.500000 0.500000 0.500001 Co\n0.000000 0.000000 0.000000 Sn\n0.249402 0.898326 0.604479 F\n0.898326 0.604478 0.249403 F\n0.395521 0.750598 0.101674 F\n0.101674 0.395522 0.750599 F\n0.750598 0.101673 0.395523 F\n0.604478 0.249401 0.898328 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Co",
"Sn",
"F"
],
"chemical_system": "Co-F-Sn",
"density": 4.6217106950679385,
"density_atomic": 0.07634947691106016,
"volume": 104.78133346374115,
"volume_molar": 7.887599239239344,
"formula_full": "Co1 Sn1 F6",
"formula_reduced": "CoSnF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1261367868749999,
"spacegroup": 148
},
{
"id": "jvasp-57068",
"created_at": "2022-09-04T14:37:44.908812Z",
"updated_at": "2022-09-04T14:37:44.908839Z",
"structure_string": "Zr1 Cu1 F6\n1.0\n5.180784 -0.044312 -0.018617\n0.044527 5.591658 -0.350599\n-2.595291 -2.945308 4.000896\nZr Cu F\n1 1 6\ndirect\n0.500000 0.500000 -0.000000 Zr\n0.000000 0.000000 0.000000 Cu\n0.883489 0.382240 0.131137 F\n0.617401 0.751869 0.500885 F\n0.116510 0.617760 -0.131137 F\n0.382599 0.248131 0.499115 F\n0.752196 0.883972 0.134719 F\n0.247804 0.116029 0.865281 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"F"
],
"chemical_system": "Cu-F-Zr",
"density": 4.047857104253953,
"density_atomic": 0.07256058117238534,
"volume": 110.25270016779567,
"volume_molar": 8.299465994756764,
"formula_full": "Zr1 Cu1 F6",
"formula_reduced": "ZrCuF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0625583306249999,
"spacegroup": 148
},
{
"id": "jvasp-106878",
"created_at": "2022-09-04T14:37:52.491208Z",
"updated_at": "2022-09-04T14:37:52.491218Z",
"structure_string": "Ni1 Pb1 F6\n1.0\n4.562485 0.055710 3.257844\n1.706921 4.231523 3.257844\n0.081467 0.055710 5.605637\nNi Pb F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Pb\n0.602496 0.926647 0.232017 F\n0.926647 0.232018 0.602497 F\n0.767982 0.397503 0.073352 F\n0.073353 0.767982 0.397503 F\n0.397503 0.073352 0.767982 F\n0.232018 0.602496 0.926647 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ni",
"Pb",
"F"
],
"chemical_system": "F-Ni-Pb",
"density": 5.947449588349076,
"density_atomic": 0.07542596296277222,
"volume": 106.06427396821618,
"volume_molar": 7.984174843047521,
"formula_full": "Ni1 Pb1 F6",
"formula_reduced": "NiPbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0011987499999999,
"spacegroup": 148
},
{
"id": "jvasp-110291",
"created_at": "2022-09-04T14:37:52.510084Z",
"updated_at": "2022-09-04T14:37:52.510113Z",
"structure_string": "Al1 Cr6 Si1\n1.0\n4.542875 0.000000 0.000000\n0.000000 4.542875 0.000000\n-0.000000 -0.000000 4.542875\nAl Cr Si\n1 6 1\ndirect\n0.500001 0.500001 0.500001 Al\n-0.000000 0.500001 0.754183 Cr\n0.500001 0.245818 -0.000000 Cr\n0.754183 0.000000 0.500001 Cr\n-0.000000 0.500001 0.245818 Cr\n0.500001 0.754183 -0.000000 Cr\n0.245818 0.000000 0.500001 Cr\n0.000000 0.000000 0.000000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Cr",
"Si"
],
"chemical_system": "Al-Cr-Si",
"density": 6.500914252220895,
"density_atomic": 0.08532919052005838,
"volume": 93.7545516515762,
"volume_molar": 7.05753883670603,
"formula_full": "Al1 Cr6 Si1",
"formula_reduced": "AlCr6Si",
"formula_anonymous": "ABC6",
"energy_above_hull": 4.860594475,
"spacegroup": 200
},
{
"id": "jvasp-26725",
"created_at": "2022-09-04T14:38:00.249288Z",
"updated_at": "2022-09-04T14:38:00.249308Z",
"structure_string": "Sr1 Ni1 F6\n1.0\n4.629598 -0.007440 -0.748011\n-0.877403 4.545700 -0.748011\n-0.006151 -0.007440 4.689633\nSr Ni F\n1 1 6\ndirect\n0.500001 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Ni\n0.720634 0.720633 0.068533 F\n0.720633 0.068532 0.720633 F\n0.279368 0.931468 0.279367 F\n0.279368 0.279367 0.931467 F\n0.931468 0.279367 0.279367 F\n0.068533 0.720633 0.720633 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Ni",
"F"
],
"chemical_system": "F-Ni-Sr",
"density": 4.383375174104246,
"density_atomic": 0.08112766809982362,
"volume": 98.61000799574803,
"volume_molar": 7.423041856189003,
"formula_full": "Sr1 Ni1 F6",
"formula_reduced": "SrNiF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0035263206249999,
"spacegroup": 166
},
{
"id": "jvasp-22386",
"created_at": "2022-09-04T14:38:00.933994Z",
"updated_at": "2022-09-04T14:38:00.934027Z",
"structure_string": "Li1 As1 F6\n1.0\n4.382018 0.049231 2.882912\n1.579467 4.087762 2.882912\n0.070943 0.049232 5.244829\nLi As F\n1 1 6\ndirect\n0.500000 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 As\n0.356977 0.770628 0.104679 F\n0.104680 0.356976 0.770629 F\n0.770629 0.104679 0.356976 F\n0.895321 0.643023 0.229371 F\n0.229372 0.895319 0.643023 F\n0.643023 0.229371 0.895320 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"As",
"F"
],
"chemical_system": "As-F-Li",
"density": 3.5228711507830446,
"density_atomic": 0.08665774382584635,
"volume": 92.31719690368789,
"volume_molar": 6.949339429033058,
"formula_full": "Li1 As1 F6",
"formula_reduced": "LiAsF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0047679306249999,
"spacegroup": 148
},
{
"id": "jvasp-21474",
"created_at": "2022-09-04T14:37:52.038134Z",
"updated_at": "2022-09-04T14:37:52.038171Z",
"structure_string": "Zr2 Pb2 F12\n1.0\n5.348324 0.000000 -0.000000\n0.000000 6.314205 -2.519373\n-0.000000 -0.009522 6.798260\nZr Pb F\n2 2 12\ndirect\n0.000000 0.750000 0.750000 Zr\n0.000000 0.250000 0.250000 Zr\n0.463159 0.750000 0.250000 Pb\n0.536840 0.250000 0.750000 Pb\n0.743089 0.440849 0.184228 F\n0.743089 0.059151 0.315772 F\n0.256910 0.184228 0.440849 F\n0.256910 0.315771 0.059151 F\n0.838074 0.429468 0.570532 F\n0.838074 0.070532 0.929468 F\n0.161925 0.570532 0.429468 F\n0.161925 0.929467 0.070532 F\n0.743089 0.684228 0.940850 F\n0.743089 0.815771 0.559151 F\n0.256910 0.940849 0.684229 F\n0.256910 0.559151 0.815772 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Pb",
"F"
],
"chemical_system": "F-Pb-Zr",
"density": 5.969274570105444,
"density_atomic": 0.06973143524596973,
"volume": 229.45175219127233,
"volume_molar": 8.636192183278004,
"formula_full": "Zr2 Pb2 F12",
"formula_reduced": "ZrPbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.108234626875,
"spacegroup": 67
},
{
"id": "jvasp-106873",
"created_at": "2022-09-04T14:37:51.917614Z",
"updated_at": "2022-09-04T14:37:51.917637Z",
"structure_string": "Zn1 Co1 F6\n1.0\n4.360627 0.109117 2.876143\n1.604344 4.056237 2.876143\n0.156261 0.109117 5.221385\nZn Co F\n1 1 6\ndirect\n0.499999 0.500001 0.499999 Zn\n0.000000 0.000000 0.000000 Co\n0.615018 0.919257 0.229085 F\n0.919256 0.229088 0.615017 F\n0.770913 0.384982 0.080743 F\n0.080743 0.770914 0.384980 F\n0.384981 0.080745 0.770912 F\n0.229086 0.615020 0.919254 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Co",
"F"
],
"chemical_system": "Co-F-Zn",
"density": 4.4566909642469295,
"density_atomic": 0.09008861975480337,
"volume": 88.8014493037391,
"volume_molar": 6.6846853424890105,
"formula_full": "Zn1 Co1 F6",
"formula_reduced": "ZnCoF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-94727",
"created_at": "2022-09-04T14:36:19.552153Z",
"updated_at": "2022-09-04T14:36:19.552176Z",
"structure_string": "Ca1 Mg6 C1\n1.0\n10.003841 2.496855 0.000000\n-2.839580 4.918297 0.000000\n0.000000 0.000000 3.476441\nCa Mg C\n1 6 1\ndirect\n0.076301 0.288150 0.250000 Ca\n0.577785 0.284353 0.250000 Mg\n0.577785 0.793432 0.250000 Mg\n0.334986 0.149304 0.750000 Mg\n0.334986 0.685685 0.750000 Mg\n0.795891 0.147947 0.750000 Mg\n0.906474 0.703238 0.750000 Mg\n0.395793 0.947898 0.250000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"C"
],
"chemical_system": "C-Ca-Mg",
"density": 1.679404472200331,
"density_atomic": 0.04087985674141533,
"volume": 195.6954020314658,
"volume_molar": 14.73131571397846,
"formula_full": "Ca1 Mg6 C1",
"formula_reduced": "CaMg6C",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1028155899999999,
"spacegroup": 38
},
{
"id": "jvasp-99967",
"created_at": "2022-09-04T14:36:34.313063Z",
"updated_at": "2022-09-04T14:36:34.313092Z",
"structure_string": "Li1 U1 I6\n1.0\n7.200155 -0.135110 1.289092\n-3.808133 6.112169 1.289092\n-0.099541 -0.175400 7.239512\nLi U I\n1 1 6\ndirect\n0.853982 0.146018 0.500000 Li\n-0.001069 0.001069 -0.000000 U\n0.253326 0.258178 0.238561 I\n0.741823 0.746674 0.761438 I\n0.070365 0.404321 0.747420 I\n0.399880 0.079982 0.750322 I\n0.920018 0.600121 0.249677 I\n0.595680 0.929636 0.252579 I\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"U",
"I"
],
"chemical_system": "I-Li-U",
"density": 5.252475722441935,
"density_atomic": 0.025144078637822337,
"volume": 318.16636096445404,
"volume_molar": 23.950532635311394,
"formula_full": "Li1 U1 I6",
"formula_reduced": "LiUI6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.57697045625,
"spacegroup": 5
},
{
"id": "jvasp-92890",
"created_at": "2022-09-04T14:36:19.962636Z",
"updated_at": "2022-09-04T14:36:19.962662Z",
"structure_string": "Mg6 Cr1 Bi1\n1.0\n6.367573 0.024961 0.000000\n-3.162170 5.526960 0.000000\n0.000000 0.000000 5.105344\nMg Cr Bi\n6 1 1\ndirect\n0.158912 0.814844 0.250000 Mg\n0.685156 0.341088 0.250000 Mg\n0.665241 0.834759 0.250000 Mg\n0.330510 0.659746 0.749999 Mg\n0.840253 0.169490 0.749999 Mg\n0.829430 0.670569 0.749999 Mg\n0.160668 0.339332 0.250000 Cr\n0.329827 0.170173 0.749999 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Bi"
],
"chemical_system": "Bi-Cr-Mg",
"density": 3.75127393663377,
"density_atomic": 0.04442544489045233,
"volume": 180.07698110231678,
"volume_molar": 13.555611597925143,
"formula_full": "Mg6 Cr1 Bi1",
"formula_reduced": "Mg6CrBi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1001094999999999,
"spacegroup": 38
}
]
}