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=-structure_string&page=231",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=229",
"results": [
{
"id": "jvasp-34154",
"created_at": "2022-09-04T14:37:19.974536Z",
"updated_at": "2022-09-04T14:37:19.974565Z",
"structure_string": "Y4 Si4 Rh2\n1.0\n4.109402 -0.000000 0.977175\n1.990167 5.285932 0.759979\n-0.000336 -0.005941 9.130824\nY Si Rh\n4 4 2\ndirect\n0.998398 0.327799 0.675403 Y\n0.815023 0.261602 0.108353 Y\n0.001601 0.672201 0.324596 Y\n0.184977 0.738398 0.891646 Y\n0.641602 0.282687 0.434108 Si\n0.512898 0.853890 0.120314 Si\n0.358397 0.717313 0.565891 Si\n0.487102 0.146109 0.879685 Si\n0.273791 0.079845 0.372572 Rh\n0.726208 0.920154 0.627428 Rh\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Si",
"Rh"
],
"chemical_system": "Rh-Si-Y",
"density": 5.640733645032986,
"density_atomic": 0.05041626867874206,
"volume": 198.34867319755625,
"volume_molar": 11.944836295549232,
"formula_full": "Y4 Si4 Rh2",
"formula_reduced": "Y2Si2Rh",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.99705822,
"spacegroup": 12
},
{
"id": "jvasp-96886",
"created_at": "2022-09-04T14:36:19.337594Z",
"updated_at": "2022-09-04T14:36:19.337624Z",
"structure_string": "Y4 Si4 O14\n1.0\n4.708312 0.511039 0.000000\n-0.011775 5.614642 0.000000\n0.000000 0.000000 10.901747\nY Si O\n4 4 14\ndirect\n0.112854 0.092793 0.150420 Y\n0.887147 0.907207 0.849580 Y\n0.112854 0.592793 0.349580 Y\n0.887146 0.407207 0.650420 Y\n0.640833 0.143787 0.387617 Si\n0.359167 0.356213 0.887618 Si\n0.359168 0.856213 0.612383 Si\n0.640833 0.643787 0.112383 Si\n0.382415 0.752210 0.203112 O\n0.617586 0.747789 0.703112 O\n0.617585 0.247790 0.796888 O\n0.794381 0.867415 0.051465 O\n0.500000 0.500000 0.000000 O\n0.879069 0.459171 0.182511 O\n0.120931 0.040829 0.682511 O\n0.120931 0.540829 0.817490 O\n0.879070 0.959171 0.317489 O\n0.794380 0.367416 0.448535 O\n0.205620 0.132585 0.948535 O\n0.205620 0.632584 0.551465 O\n0.500000 0.000000 0.500000 O\n0.382415 0.252210 0.296888 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Y",
"Si",
"O"
],
"chemical_system": "O-Si-Y",
"density": 3.9860794865605063,
"density_atomic": 0.07632036364283493,
"volume": 288.2585846020847,
"volume_molar": 7.890608053418738,
"formula_full": "Y4 Si4 O14",
"formula_reduced": "Y2Si2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.8732238727272725,
"spacegroup": 14
},
{
"id": "jvasp-57185",
"created_at": "2022-09-04T14:37:52.423015Z",
"updated_at": "2022-09-04T14:37:52.423038Z",
"structure_string": "Y4 Si4 O14\n1.0\n0.000000 5.103930 0.003086\n8.078706 0.000000 0.000000\n0.000000 -2.189653 -7.076544\nY Si O\n4 4 14\ndirect\n0.000000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.499999 Y\n0.500000 0.500000 0.499999 Y\n0.473135 0.250000 0.893487 Si\n0.100992 0.750000 0.681313 Si\n0.526865 0.750000 0.106512 Si\n0.899008 0.250000 0.318686 Si\n0.465470 0.578536 0.202162 O\n0.921849 0.581158 0.669668 O\n0.534530 0.078536 0.797837 O\n0.817774 0.750000 0.057381 O\n0.319350 0.750000 0.559517 O\n0.921849 0.918843 0.669668 O\n0.078152 0.418843 0.330331 O\n0.465470 0.921464 0.202162 O\n0.680650 0.250000 0.440482 O\n0.078152 0.081157 0.330331 O\n0.182226 0.250000 0.942617 O\n0.742511 0.250000 0.085776 O\n0.257489 0.750000 0.914223 O\n0.534530 0.421464 0.797837 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Y",
"Si",
"O"
],
"chemical_system": "O-Si-Y",
"density": 3.938598752239064,
"density_atomic": 0.0754112631289944,
"volume": 291.7336096382313,
"volume_molar": 7.985731189383279,
"formula_full": "Y4 Si4 O14",
"formula_reduced": "Y2Si2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.876081145454545,
"spacegroup": 11
},
{
"id": "jvasp-57188",
"created_at": "2022-09-04T14:37:56.660839Z",
"updated_at": "2022-09-04T14:37:56.660859Z",
"structure_string": "Y4 Si4 O14\n1.0\n0.000000 5.076157 0.018285\n8.103500 0.000000 0.000000\n0.000000 -2.403409 -6.980543\nY Si O\n4 4 14\ndirect\n0.727908 0.508436 0.252223 Y\n0.272093 0.491564 0.747777 Y\n0.272093 0.008436 0.747777 Y\n0.727908 0.991564 0.252223 Y\n0.209202 0.750000 0.130991 Si\n0.654108 0.750000 0.574909 Si\n0.790799 0.250000 0.869009 Si\n0.345893 0.250000 0.425091 Si\n0.168555 0.079210 0.405832 O\n0.489047 0.750000 0.335284 O\n0.924121 0.750000 0.184714 O\n0.570528 0.250000 0.310868 O\n0.429473 0.750000 0.689132 O\n0.168555 0.420790 0.405832 O\n0.831446 0.920790 0.594168 O\n0.831446 0.579210 0.594168 O\n0.510953 0.250000 0.664716 O\n0.280844 0.916283 0.032462 O\n0.719157 0.083717 0.967538 O\n0.280844 0.583717 0.032462 O\n0.719157 0.416283 0.967538 O\n0.075879 0.250000 0.815286 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Y",
"Si",
"O"
],
"chemical_system": "O-Si-Y",
"density": 4.006547261915605,
"density_atomic": 0.07671225448779369,
"volume": 286.7859919760356,
"volume_molar": 7.850298234890531,
"formula_full": "Y4 Si4 O14",
"formula_reduced": "Y2Si2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.873542963636363,
"spacegroup": 11
},
{
"id": "jvasp-95336",
"created_at": "2022-09-04T14:36:13.029959Z",
"updated_at": "2022-09-04T14:36:13.029984Z",
"structure_string": "Y4 Si4 Ni4\n1.0\n4.170975 -0.000000 0.000000\n0.000000 6.911807 0.000000\n0.000000 0.000000 7.179058\nY Si Ni\n4 4 4\ndirect\n0.250000 0.491496 0.796784 Y\n0.749999 0.508505 0.203216 Y\n0.250000 0.991496 0.703216 Y\n0.749999 0.008504 0.296784 Y\n0.250000 0.805846 0.088261 Si\n0.749999 0.194154 0.911739 Si\n0.250000 0.305846 0.411739 Si\n0.749999 0.694155 0.588262 Si\n0.749999 0.810146 0.918248 Ni\n0.250000 0.189855 0.081752 Ni\n0.749999 0.310145 0.581752 Ni\n0.250000 0.689855 0.418248 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Y",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-Y",
"density": 5.638278219485706,
"density_atomic": 0.05798085222568102,
"volume": 206.9648778754054,
"volume_molar": 10.386430224515841,
"formula_full": "Y4 Si4 Ni4",
"formula_reduced": "YSiNi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.817255483333333,
"spacegroup": 62
},
{
"id": "jvasp-25777",
"created_at": "2022-09-04T14:38:14.088338Z",
"updated_at": "2022-09-04T14:38:14.088363Z",
"structure_string": "Y4 Si2 C2 O14\n1.0\n6.500488 -0.004220 0.011294\n-0.311998 6.610234 -0.004002\n-2.969164 -0.785802 5.925357\nY Si C O\n4 2 2 14\ndirect\n0.256512 0.668500 0.188368 Y\n0.251117 0.914203 0.701464 Y\n0.743488 0.331499 0.811632 Y\n0.748884 0.085796 0.298536 Y\n0.262921 0.158601 0.241201 Si\n0.737080 0.841399 0.758800 Si\n0.804903 0.588866 0.267009 C\n0.195098 0.411134 0.732991 C\n0.873447 0.666753 0.907971 O\n0.733905 0.402263 0.165465 O\n0.887575 0.967154 0.658804 O\n0.126553 0.333247 0.092029 O\n0.331875 0.983769 0.087716 O\n0.977368 0.353539 0.621627 O\n0.266095 0.597737 0.834535 O\n0.478694 0.751146 0.561448 O\n0.022633 0.646460 0.378373 O\n0.656017 0.715838 0.250401 O\n0.343984 0.284162 0.749600 O\n0.112425 0.032845 0.341197 O\n0.668125 0.016231 0.912285 O\n0.521307 0.248853 0.438552 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Y",
"Si",
"C",
"O"
],
"chemical_system": "C-O-Si-Y",
"density": 4.299862142978851,
"density_atomic": 0.08633977912590456,
"volume": 254.8072304877988,
"volume_molar": 6.9749318575603985,
"formula_full": "Y4 Si2 C2 O14",
"formula_reduced": "Y2SiCO7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 3.2258621818181816,
"spacegroup": 2
},
{
"id": "jvasp-53199",
"created_at": "2022-09-04T14:38:13.383842Z",
"updated_at": "2022-09-04T14:38:13.383874Z",
"structure_string": "Y4 Si1 S3\n1.0\n-5.610244 0.000058 -0.000679\n-0.000063 -5.610278 -0.002886\n2.804470 2.802281 5.627119\nY Si S\n4 1 3\ndirect\n0.748932 0.749074 0.500444 Y\n0.245762 0.245915 0.494086 Y\n0.997350 0.497539 0.997270 Y\n0.497336 0.997516 0.997269 Y\n0.997328 0.997531 0.997251 Si\n0.497356 0.497520 0.997255 S\n0.247340 0.747495 0.497267 S\n0.747342 0.247496 0.497268 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Y",
"Si",
"S"
],
"chemical_system": "S-Si-Y",
"density": 4.500788650211116,
"density_atomic": 0.04518301733650997,
"volume": 177.05767502020342,
"volume_molar": 13.328328020125012,
"formula_full": "Y4 Si1 S3",
"formula_reduced": "Y4SiS3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.73902755,
"spacegroup": 139
},
{
"id": "jvasp-26816",
"created_at": "2022-09-04T14:38:28.214260Z",
"updated_at": "2022-09-04T14:38:28.214289Z",
"structure_string": "Y4 Se4 O12 F4\n1.0\n0.000000 6.632381 0.028630\n6.899237 0.000000 0.000000\n0.000000 -1.129472 -7.105696\nY Se O F\n4 4 12 4\ndirect\n0.139304 0.360030 0.323728 Y\n0.860696 0.860030 0.176272 Y\n0.860697 0.639970 0.676272 Y\n0.139304 0.139970 0.823729 Y\n0.644572 0.116785 0.708881 Se\n0.355428 0.883215 0.291120 Se\n0.644572 0.383215 0.208881 Se\n0.355429 0.616785 0.791120 Se\n0.512774 0.812137 0.137570 O\n0.177195 0.803638 0.783096 O\n0.487226 0.312137 0.362430 O\n0.824424 0.534800 0.352020 O\n0.822806 0.303638 0.716905 O\n0.175576 0.465201 0.647980 O\n0.177195 0.696362 0.283096 O\n0.822805 0.196362 0.216904 O\n0.824424 0.965201 0.852021 O\n0.512774 0.687864 0.637571 O\n0.175576 0.034800 0.147980 O\n0.487226 0.187863 0.862430 O\n0.169718 0.389197 0.022963 F\n0.830282 0.889197 0.477037 F\n0.830282 0.610804 0.977038 F\n0.169719 0.110804 0.522963 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Y",
"Se",
"O",
"F"
],
"chemical_system": "F-O-Se-Y",
"density": 4.801131735944715,
"density_atomic": 0.07386389115130124,
"volume": 324.9219561265586,
"volume_molar": 8.153023982536167,
"formula_full": "Y4 Se4 O12 F4",
"formula_reduced": "YSeO3F",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.6780199331944443,
"spacegroup": 14
},
{
"id": "jvasp-34555",
"created_at": "2022-09-04T14:37:08.954133Z",
"updated_at": "2022-09-04T14:37:08.954153Z",
"structure_string": "Y4 Se4 F4\n1.0\n5.698844 0.000000 0.000000\n-0.000000 5.745745 0.000000\n0.000000 0.000000 7.673607\nY Se F\n4 4 4\ndirect\n0.250000 0.871954 0.821264 Y\n0.749999 0.371955 0.678736 Y\n0.749999 0.128045 0.178736 Y\n0.250000 0.628045 0.321264 Y\n0.749999 0.619722 0.327344 Se\n0.250000 0.119723 0.172656 Se\n0.749999 0.880276 0.827344 Se\n0.250000 0.380277 0.672656 Se\n0.250000 0.870673 0.538450 F\n0.250000 0.629326 0.038449 F\n0.749999 0.129327 0.461551 F\n0.749999 0.370673 0.961551 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Y",
"Se",
"F"
],
"chemical_system": "F-Se-Y",
"density": 4.939723596263778,
"density_atomic": 0.047758268871203324,
"volume": 251.26538887668116,
"volume_molar": 12.60962949942927,
"formula_full": "Y4 Se4 F4",
"formula_reduced": "YSeF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2464963663888888,
"spacegroup": 62
},
{
"id": "jvasp-50056",
"created_at": "2022-09-04T14:36:33.082947Z",
"updated_at": "2022-09-04T14:36:33.082967Z",
"structure_string": "Y4 Sc4 O12\n1.0\n5.441531 0.000000 0.000000\n0.000000 5.743063 0.000000\n0.000000 0.000000 7.935603\nY Sc O\n4 4 12\ndirect\n0.980357 0.935903 0.009029 Y\n0.480357 0.564096 0.509029 Y\n0.519643 0.435903 0.009029 Y\n0.019643 0.064096 0.509029 Y\n0.500001 0.999979 0.759012 Sc\n0.000001 0.500020 0.259012 Sc\n-0.000001 0.499980 0.759012 Sc\n0.499998 0.000020 0.259012 Sc\n0.809750 0.193562 0.191237 O\n0.309751 0.306438 0.691236 O\n0.309806 0.306552 0.326723 O\n0.870087 0.443167 0.508999 O\n0.129913 0.556833 0.008999 O\n0.190194 0.806551 0.326723 O\n0.690249 0.693562 0.191237 O\n0.190249 0.806437 0.691236 O\n0.809806 0.193448 0.826722 O\n0.629913 0.943167 0.508999 O\n0.690194 0.693448 0.826722 O\n0.370087 0.056833 0.008999 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Y",
"Sc",
"O"
],
"chemical_system": "O-Sc-Y",
"density": 4.8708142035584245,
"density_atomic": 0.0806464722558693,
"volume": 247.99596858428532,
"volume_molar": 7.467333153635521,
"formula_full": "Y4 Sc4 O12",
"formula_reduced": "YScO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.94804824,
"spacegroup": 62
},
{
"id": "jvasp-9421",
"created_at": "2022-09-04T14:36:40.164471Z",
"updated_at": "2022-09-04T14:36:40.164487Z",
"structure_string": "Y4 S4 F4\n1.0\n2.026553 -3.510092 0.000000\n2.026553 3.510092 -0.000000\n-0.000000 0.000000 16.738289\nY S F\n4 4 4\ndirect\n0.666666 0.333332 0.250000 Y\n0.333332 0.666666 0.750000 Y\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.666666 0.333332 0.413999 S\n0.666666 0.333332 0.086001 S\n0.333332 0.666666 0.586001 S\n0.333332 0.666666 0.913999 S\n0.333332 0.666666 0.250000 F\n0.000000 0.000000 0.250000 F\n0.000000 0.000000 0.750000 F\n0.666666 0.333332 0.750000 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Y",
"S",
"F"
],
"chemical_system": "F-S-Y",
"density": 3.904129463987679,
"density_atomic": 0.05039224682851018,
"volume": 238.1318705799563,
"volume_molar": 11.95053036728833,
"formula_full": "Y4 S4 F4",
"formula_reduced": "YSF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3189252441666665,
"spacegroup": 194
},
{
"id": "jvasp-99410",
"created_at": "2022-09-04T14:36:36.657910Z",
"updated_at": "2022-09-04T14:36:36.657930Z",
"structure_string": "Y4 S3 N2\n1.0\n5.216727 -0.003242 4.255298\n1.409635 3.563312 0.000000\n0.011325 -0.004480 10.271103\nY S N\n4 3 2\ndirect\n0.221589 0.889205 0.648717 Y\n0.778411 0.110795 0.351283 Y\n0.582743 0.708628 0.144506 Y\n0.417257 0.291372 0.855494 Y\n0.000000 0.000000 0.000000 S\n0.781098 0.609452 0.782508 S\n0.218903 0.390548 0.217492 S\n0.564658 0.717672 0.360881 N\n0.435343 0.282328 0.639119 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Y",
"S",
"N"
],
"chemical_system": "N-S-Y",
"density": 4.176516263243923,
"density_atomic": 0.04717572272020814,
"volume": 190.77609162190473,
"volume_molar": 12.765338637664076,
"formula_full": "Y4 S3 N2",
"formula_reduced": "Y4S3N2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.393676477777777,
"spacegroup": 12
}
]
}