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=175",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=173",
"results": [
{
"id": "jvasp-109665",
"created_at": "2022-09-04T14:38:28.105046Z",
"updated_at": "2022-09-04T14:38:28.105073Z",
"structure_string": "Tl1 As1 Pd6\n1.0\n4.344429 0.002422 6.438501\n1.970840 3.871674 6.438501\n0.003947 0.002422 7.767133\nTl As Pd\n1 1 6\ndirect\n0.500001 0.499999 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.632838 0.632835 0.632837 Pd\n0.113521 0.113521 0.113521 Pd\n0.886480 0.886477 0.886479 Pd\n0.367164 0.367163 0.367163 Pd\n0.242004 0.242003 0.242003 Pd\n0.757998 0.757995 0.757996 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"As",
"Pd"
],
"chemical_system": "As-Pd-Tl",
"density": 11.68127481068391,
"density_atomic": 0.06131564414126576,
"volume": 130.47241225369362,
"volume_molar": 9.821540398606148,
"formula_full": "Tl1 As1 Pd6",
"formula_reduced": "TlAsPd6",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.6748623187500002,
"spacegroup": 166
},
{
"id": "jvasp-100457",
"created_at": "2022-09-04T14:36:42.868094Z",
"updated_at": "2022-09-04T14:36:42.868110Z",
"structure_string": "Mn1 Sn1 F6\n1.0\n4.685432 0.084453 3.218002\n1.738192 4.351908 3.218002\n0.122284 0.084453 5.682768\nMn Sn F\n1 1 6\ndirect\n0.499999 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Sn\n0.383998 0.756033 0.102648 F\n0.756032 0.102648 0.383999 F\n0.897351 0.616001 0.243967 F\n0.243966 0.897351 0.616002 F\n0.616001 0.243966 0.897353 F\n0.102648 0.383998 0.756034 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Sn",
"F"
],
"chemical_system": "F-Mn-Sn",
"density": 4.243365022622422,
"density_atomic": 0.0710729464981583,
"volume": 112.56041003178758,
"volume_molar": 8.47318291518426,
"formula_full": "Mn1 Sn1 F6",
"formula_reduced": "MnSnF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.2325575795474136,
"spacegroup": 148
},
{
"id": "jvasp-93144",
"created_at": "2022-09-04T14:35:57.301131Z",
"updated_at": "2022-09-04T14:35:57.301164Z",
"structure_string": "Na1 Mg6 Si1\n1.0\n6.358379 0.007213 0.000000\n-3.172943 5.510124 0.000000\n0.000000 0.000000 5.053760\nNa Mg Si\n1 6 1\ndirect\n0.328767 0.171233 0.750000 Na\n0.164221 0.825831 0.250000 Mg\n0.674169 0.335778 0.250000 Mg\n0.668883 0.831117 0.250000 Mg\n0.328743 0.659034 0.750000 Mg\n0.840965 0.171256 0.750000 Mg\n0.835526 0.664473 0.750000 Mg\n0.158726 0.341274 0.250000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Si"
],
"chemical_system": "Mg-Na-Si",
"density": 1.845442143683267,
"density_atomic": 0.04515272708820776,
"volume": 177.17645236292512,
"volume_molar": 13.33726919358712,
"formula_full": "Na1 Mg6 Si1",
"formula_reduced": "NaMg6Si",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-24612",
"created_at": "2022-09-04T14:37:14.973403Z",
"updated_at": "2022-09-04T14:37:14.973430Z",
"structure_string": "N2 Cl2 O12\n1.0\n5.437975 -0.044540 1.742357\n0.931225 5.357832 1.742357\n0.067808 0.056566 7.169556\nN Cl O\n2 2 12\ndirect\n0.834724 0.165276 0.750001 N\n0.165275 0.834724 0.250001 N\n0.679485 0.320514 0.250001 Cl\n0.320514 0.679486 0.750001 Cl\n0.301702 0.971837 0.202795 O\n0.028162 0.698297 0.297207 O\n0.250270 0.856599 0.875660 O\n0.143401 0.749729 0.624342 O\n0.749728 0.143401 0.124342 O\n0.856598 0.250271 0.375660 O\n0.572231 0.694744 0.621110 O\n0.305255 0.427769 0.878892 O\n0.427768 0.305256 0.378892 O\n0.694743 0.572231 0.121110 O\n0.971837 0.301703 0.702795 O\n0.698297 0.028163 0.797207 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"N",
"Cl",
"O"
],
"chemical_system": "Cl-N-O",
"density": 2.3212812268298473,
"density_atomic": 0.07688413093075203,
"volume": 208.10536330846836,
"volume_molar": 7.832748692215848,
"formula_full": "N2 Cl2 O12",
"formula_reduced": "NClO6",
"formula_anonymous": "ABC6",
"energy_above_hull": 2.8854572896875004,
"spacegroup": 15
},
{
"id": "jvasp-102443",
"created_at": "2022-09-04T14:36:42.343120Z",
"updated_at": "2022-09-04T14:36:42.343130Z",
"structure_string": "Cr1 Mo1 F6\n1.0\n4.894154 0.151434 -2.422951\n-1.328676 4.141306 -2.424715\n-0.068805 -0.096270 4.978656\nCr Mo F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.499999 0.500000 -0.000001 Mo\n0.755701 0.606006 0.514392 F\n0.244296 0.393994 0.485607 F\n0.244419 0.091678 0.850329 F\n0.755578 0.908322 0.149670 F\n0.755551 0.241510 0.847201 F\n0.244446 0.758490 0.152798 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"Mo",
"F"
],
"chemical_system": "Cr-F-Mo",
"density": 4.358431963831194,
"density_atomic": 0.08016627218446268,
"volume": 99.79259084907918,
"volume_molar": 7.512062861228033,
"formula_full": "Cr1 Mo1 F6",
"formula_reduced": "CrMoF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.117311874375,
"spacegroup": 148
},
{
"id": "jvasp-92909",
"created_at": "2022-09-04T14:36:08.550352Z",
"updated_at": "2022-09-04T14:36:08.550367Z",
"structure_string": "Mg6 Cr1 B1\n1.0\n6.771141 1.508280 0.000000\n-2.079361 6.618119 0.000000\n0.000000 0.000000 3.263100\nMg Cr B\n6 1 1\ndirect\n0.216177 0.954970 0.250000 Mg\n0.545030 0.283823 0.250000 Mg\n0.658867 0.841133 0.250000 Mg\n0.363107 0.607220 0.750000 Mg\n0.892780 0.136893 0.750000 Mg\n0.911413 0.588587 0.750000 Mg\n0.148763 0.351237 0.250000 Cr\n0.263863 0.236137 0.750000 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"B"
],
"chemical_system": "B-Cr-Mg",
"density": 2.2142948403872533,
"density_atomic": 0.05113106045880427,
"volume": 156.46067044601023,
"volume_molar": 11.77785226037307,
"formula_full": "Mg6 Cr1 B1",
"formula_reduced": "Mg6CrB",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6297867854166667,
"spacegroup": 38
},
{
"id": "jvasp-93193",
"created_at": "2022-09-04T14:35:49.064158Z",
"updated_at": "2022-09-04T14:35:49.064182Z",
"structure_string": "Hf1 Mg6 Ti1\n1.0\n6.421090 -0.130831 0.000000\n-3.323848 5.495411 0.000000\n0.000000 0.000000 4.932058\nHf Mg Ti\n1 6 1\ndirect\n0.307962 0.192038 0.750000 Hf\n0.180379 0.834066 0.250000 Mg\n0.665934 0.319621 0.250000 Mg\n0.672951 0.827048 0.250000 Mg\n0.317208 0.667084 0.750000 Mg\n0.832916 0.182792 0.750000 Mg\n0.829035 0.670965 0.750000 Mg\n0.193613 0.306387 0.250000 Ti\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Ti"
],
"chemical_system": "Hf-Mg-Ti",
"density": 3.5954940586869597,
"density_atomic": 0.04654127378041519,
"volume": 171.89043939245258,
"volume_molar": 12.939355266494978,
"formula_full": "Hf1 Mg6 Ti1",
"formula_reduced": "HfMg6Ti",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6291182041666666,
"spacegroup": 38
},
{
"id": "jvasp-13789",
"created_at": "2022-09-04T14:38:07.966268Z",
"updated_at": "2022-09-04T14:38:07.966300Z",
"structure_string": "Al2 I2 Cl12\n1.0\n0.000000 6.078548 -0.047490\n10.873169 0.000000 0.000000\n0.000000 -0.997802 -6.925036\nAl I Cl\n2 2 12\ndirect\n0.412328 0.089402 0.477007 Al\n0.587672 0.589402 0.522994 Al\n0.016073 0.748097 0.191970 I\n0.983928 0.248097 0.808031 I\n0.695775 0.776344 0.453626 Cl\n0.304225 0.276344 0.546374 Cl\n0.695808 0.201404 -0.005968 Cl\n0.304192 0.701404 0.005968 Cl\n0.195044 0.377291 0.035691 Cl\n0.804957 0.877291 0.964309 Cl\n0.301486 0.049347 0.181832 Cl\n0.698514 0.549347 0.818168 Cl\n0.777741 0.098067 0.499304 Cl\n0.222260 0.598067 0.500696 Cl\n0.691181 0.461050 0.324316 Cl\n0.308820 0.961050 0.675685 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Al",
"I",
"Cl"
],
"chemical_system": "Al-Cl-I",
"density": 2.657110807026704,
"density_atomic": 0.034918320422013586,
"volume": 458.2121879468494,
"volume_molar": 17.24636433602189,
"formula_full": "Al2 I2 Cl12",
"formula_reduced": "AlICl6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.174465435,
"spacegroup": 4
},
{
"id": "jvasp-2775",
"created_at": "2022-09-04T14:36:41.750725Z",
"updated_at": "2022-09-04T14:36:41.750750Z",
"structure_string": "Ba1 Ti1 F6\n1.0\n4.888123 -0.012577 -0.670952\n-0.767647 4.827486 -0.670952\n-0.010763 -0.012577 4.933944\nBa Ti F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ti\n0.422986 0.773629 0.773629 F\n0.773628 0.773629 0.422986 F\n0.577014 0.226371 0.226371 F\n0.226371 0.577014 0.226371 F\n0.226371 0.226371 0.577014 F\n0.773628 0.422985 0.773628 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"F"
],
"chemical_system": "Ba-F-Ti",
"density": 4.271860594887973,
"density_atomic": 0.06878899880466231,
"volume": 116.29766589156672,
"volume_molar": 8.754511425730822,
"formula_full": "Ba1 Ti1 F6",
"formula_reduced": "BaTiF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-91610",
"created_at": "2022-09-04T14:38:08.147218Z",
"updated_at": "2022-09-04T14:38:08.147237Z",
"structure_string": "Hf1 V1 F6\n1.0\n4.984168 0.000000 2.877611\n1.661389 4.699119 2.877611\n-0.000000 0.000000 5.755222\nHf V F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 V\n0.753640 0.753640 0.246360 F\n0.246360 0.753640 0.246360 F\n0.246360 0.246360 0.753639 F\n0.753640 0.246360 0.246360 F\n0.246360 0.753640 0.753639 F\n0.753640 0.246360 0.753639 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"V",
"F"
],
"chemical_system": "F-Hf-V",
"density": 4.230638448958741,
"density_atomic": 0.059349735887451405,
"volume": 134.7941971497716,
"volume_molar": 10.146870360838944,
"formula_full": "Hf1 V1 F6",
"formula_reduced": "HfVF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.8716523618750001,
"spacegroup": 225
},
{
"id": "jvasp-91821",
"created_at": "2022-09-04T14:35:57.363243Z",
"updated_at": "2022-09-04T14:35:57.363259Z",
"structure_string": "Rb1 Mg6 W1\n1.0\n6.554718 -1.756536 0.000000\n-4.798564 8.311355 0.000000\n0.000000 0.000000 4.263350\nRb Mg W\n1 6 1\ndirect\n0.250001 0.375001 0.250000 Rb\n0.749938 0.374955 0.250000 Mg\n0.749939 0.874981 0.250000 Mg\n0.249997 0.081919 0.750000 Mg\n0.249997 0.668079 0.750000 Mg\n0.663984 0.081993 0.750000 Mg\n0.836084 0.668041 0.750000 Mg\n0.250058 0.875028 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"W"
],
"chemical_system": "Mg-Rb-W",
"density": 3.511261928296806,
"density_atomic": 0.04074851981147419,
"volume": 196.32614968623514,
"volume_molar": 14.778796353491723,
"formula_full": "Rb1 Mg6 W1",
"formula_reduced": "RbMg6W",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3252955374999999,
"spacegroup": 123
},
{
"id": "jvasp-91278",
"created_at": "2022-09-04T14:35:49.941979Z",
"updated_at": "2022-09-04T14:35:49.941994Z",
"structure_string": "Mg1 Pb1 F6\n1.0\n4.638572 0.070780 3.203243\n1.718157 4.309211 3.203243\n0.102724 0.070780 5.636184\nMg Pb F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Pb\n0.388870 0.095904 0.759042 F\n0.095904 0.759041 0.388870 F\n0.240958 0.611129 0.904095 F\n0.904095 0.240958 0.611129 F\n0.611129 0.904096 0.240958 F\n0.759042 0.388871 0.095904 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Pb",
"F"
],
"chemical_system": "F-Mg-Pb",
"density": 5.219465028315315,
"density_atomic": 0.07278210096343773,
"volume": 109.917134763928,
"volume_molar": 8.274205718553299,
"formula_full": "Mg1 Pb1 F6",
"formula_reduced": "MgPbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
}
]
}