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=nsites&page=3864",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3862",
"results": [
{
"id": "jvasp-44319",
"created_at": "2022-09-04T14:36:02.266088Z",
"updated_at": "2022-09-04T14:36:02.266117Z",
"structure_string": "Mn6 O5 F7\n1.0\n4.679394 -0.168743 0.001088\n-0.168743 4.679394 0.001088\n0.001713 0.001713 9.322418\nMn O F\n6 5 7\ndirect\n0.004796 0.995204 0.000000 Mn\n0.977033 0.960478 0.341020 Mn\n0.039521 0.022966 0.658981 Mn\n0.502820 0.491487 0.841966 Mn\n0.508512 0.497179 0.158034 Mn\n0.473340 0.526660 0.500000 Mn\n0.671930 0.682355 0.331319 O\n0.705393 0.688421 0.998704 O\n0.317644 0.328069 0.668682 O\n0.311578 0.294607 0.001296 O\n0.182622 0.817377 0.500000 O\n0.189352 0.788139 0.165715 F\n0.211861 0.810647 0.834286 F\n0.277831 0.282421 0.320272 F\n0.717578 0.722168 0.679728 F\n0.775989 0.224010 0.500000 F\n0.801754 0.169557 0.176653 F\n0.830442 0.198245 0.823347 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.419748153138406,
"density_atomic": 0.08829372954204091,
"volume": 203.86498671379977,
"volume_molar": 6.820575811255734,
"formula_full": "Mn6 O5 F7",
"formula_reduced": "Mn6O5F7",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.425018495876437,
"spacegroup": 5
},
{
"id": "jvasp-43987",
"created_at": "2022-09-04T14:35:50.209398Z",
"updated_at": "2022-09-04T14:35:50.209418Z",
"structure_string": "Mn6 O2 F10\n1.0\n3.209119 0.000000 0.000000\n0.000000 4.839546 0.000000\n0.000000 0.000000 14.484964\nMn O F\n6 2 10\ndirect\n0.000000 0.777267 0.006487 Mn\n0.000000 0.719091 0.332967 Mn\n0.000000 0.788383 0.656942 Mn\n0.500000 0.211617 0.156942 Mn\n0.500000 0.222734 0.506487 Mn\n0.500000 0.280909 0.832967 Mn\n0.500000 0.949493 0.600851 O\n0.000000 0.050508 0.100851 O\n0.500000 0.560104 0.065293 F\n0.000000 0.485719 0.902863 F\n0.000000 0.439896 0.565293 F\n0.000000 0.416431 0.229792 F\n0.500000 0.924121 0.270465 F\n0.000000 0.075879 0.770465 F\n0.500000 0.967535 0.934338 F\n0.500000 0.514281 0.402863 F\n0.000000 0.032466 0.434338 F\n0.500000 0.583569 0.729792 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.071685558992164,
"density_atomic": 0.08001375294170711,
"volume": 224.96132649987868,
"volume_molar": 7.526382076325485,
"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.6354429596264368,
"spacegroup": 31
},
{
"id": "jvasp-97369",
"created_at": "2022-09-04T14:35:58.987920Z",
"updated_at": "2022-09-04T14:35:58.987932Z",
"structure_string": "Ba2 Nb4 O12\n1.0\n3.949363 0.000000 -0.012194\n0.000000 6.192435 0.000000\n0.032256 0.000000 10.541054\nBa Nb O\n2 4 12\ndirect\n0.000001 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.500304 0.047306 0.652112 Nb\n0.499696 0.547305 0.847888 Nb\n0.499696 0.952694 0.347888 Nb\n0.500304 0.452694 0.152112 Nb\n0.500015 0.889678 0.807411 O\n0.499985 0.389679 0.692589 O\n0.499954 0.303294 0.959413 O\n0.000056 0.405175 0.152701 O\n0.499954 0.196706 0.459414 O\n0.500015 0.610320 0.307411 O\n0.499985 0.110321 0.192589 O\n0.000057 0.094825 0.652701 O\n0.999944 0.594824 0.847299 O\n0.999944 0.905175 0.347299 O\n0.500046 0.696705 0.040587 O\n0.500046 0.803294 0.540586 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O",
"density": 5.399550062956883,
"density_atomic": 0.0698225738335898,
"volume": 257.79628294568363,
"volume_molar": 8.624919462798301,
"formula_full": "Ba2 Nb4 O12",
"formula_reduced": "BaNb2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.982165085555556,
"spacegroup": 55
},
{
"id": "jvasp-42557",
"created_at": "2022-09-04T14:35:58.782076Z",
"updated_at": "2022-09-04T14:35:58.782095Z",
"structure_string": "Mn6 O8 F4\n1.0\n5.416772 -0.023044 -0.017419\n1.748756 5.129086 -0.025387\n2.280101 1.594918 6.665377\nMn O F\n6 8 4\ndirect\n0.306731 0.317773 0.161076 Mn\n0.658239 0.668097 0.327894 Mn\n0.344555 0.357844 0.689431 Mn\n0.671517 0.687843 0.827220 Mn\n0.998387 0.010624 0.503881 Mn\n0.021082 0.963862 0.998810 Mn\n0.314063 0.672009 -0.003398 O\n0.964187 0.362757 0.330394 O\n0.641237 0.046675 0.671316 O\n0.575114 0.579731 0.621946 O\n0.773618 0.761075 0.037767 O\n0.033759 0.654800 0.670338 O\n0.350594 0.969882 0.330204 O\n0.222510 0.210182 0.973114 O\n0.886516 0.904693 0.315598 F\n0.111685 0.127339 0.684767 F\n0.423607 0.422732 0.360707 F\n0.702593 0.282102 -0.001066 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.768315289036447,
"density_atomic": 0.09686316317347446,
"volume": 185.82915744516197,
"volume_molar": 6.217163019149819,
"formula_full": "Mn6 O8 F4",
"formula_reduced": "Mn3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.6777406987931034,
"spacegroup": 1
},
{
"id": "jvasp-85302",
"created_at": "2022-09-04T14:35:58.033138Z",
"updated_at": "2022-09-04T14:35:58.033150Z",
"structure_string": "K4 Sn2 Br12\n1.0\n7.548836 0.000000 0.000000\n0.000000 7.373200 -0.047778\n0.000000 -0.035262 10.489974\nK Sn Br\n4 2 12\ndirect\n0.437386 0.981725 0.251921 K\n0.062614 0.481725 0.751921 K\n0.937386 0.518275 0.248078 K\n0.562615 0.018275 0.748078 K\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.701640 0.790292 0.462215 Br\n-0.002718 0.928927 0.752324 Br\n0.201640 0.709708 0.037785 Br\n0.298360 0.209708 0.537785 Br\n0.497282 0.571074 0.747675 Br\n0.002718 0.071074 0.247675 Br\n0.289533 0.199682 0.968984 Br\n0.710468 0.800319 0.031015 Br\n0.210467 0.699681 0.468984 Br\n0.502718 0.428927 0.252324 Br\n0.789533 0.300319 0.531015 Br\n0.798360 0.290292 0.962215 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Sn",
"Br"
],
"chemical_system": "Br-K-Sn",
"density": 3.8471327622544567,
"density_atomic": 0.030829859719846,
"volume": 583.8495589525152,
"volume_molar": 19.53346792597758,
"formula_full": "K4 Sn2 Br12",
"formula_reduced": "K2SnBr6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-63646",
"created_at": "2022-09-04T14:35:49.308365Z",
"updated_at": "2022-09-04T14:35:49.308390Z",
"structure_string": "Al3 As3 O12\n1.0\n5.037979 0.000934 -0.000968\n2.518963 4.363391 -0.001025\n0.003058 0.001499 11.369253\nAl As O\n3 3 12\ndirect\n0.000038 0.453478 0.333331 Al\n0.546539 -0.000032 0.666648 Al\n0.453432 0.546548 -0.000006 Al\n0.000026 0.450888 0.833325 As\n0.549162 -0.000062 0.166656 As\n0.450812 0.549177 0.499993 As\n0.600474 0.293538 0.121720 O\n0.399416 0.894131 0.544925 O\n0.894176 0.706209 0.211516 O\n0.706347 0.399627 0.878226 O\n0.099764 0.596298 0.950028 O\n0.403672 0.900178 0.049982 O\n0.596173 0.303935 0.616688 O\n0.293779 0.105892 0.788465 O\n0.900239 0.695911 0.716559 O\n0.695989 0.403917 0.383264 O\n0.304139 0.099798 0.283433 O\n0.105829 0.600564 0.455080 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Al",
"As",
"O"
],
"chemical_system": "Al-As-O",
"density": 3.3071409889265238,
"density_atomic": 0.07202886035383943,
"volume": 249.8998305897884,
"volume_molar": 8.360733087288109,
"formula_full": "Al3 As3 O12",
"formula_reduced": "AlAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.174788091666667,
"spacegroup": 152
},
{
"id": "jvasp-48103",
"created_at": "2022-09-04T14:36:03.374868Z",
"updated_at": "2022-09-04T14:36:03.374894Z",
"structure_string": "Mn6 O10 F2\n1.0\n4.496208 0.000000 0.000000\n0.000000 4.499214 0.000000\n0.000000 0.000000 8.832155\nMn O F\n6 10 2\ndirect\n0.011902 0.245935 0.175031 Mn\n0.979786 0.228595 0.500000 Mn\n0.011902 0.245935 0.824968 Mn\n0.479785 0.771404 0.000000 Mn\n0.511902 0.754064 0.324968 Mn\n0.511902 0.754064 0.675031 Mn\n0.805474 0.441313 0.665039 O\n0.805474 0.441313 0.334961 O\n0.305473 0.558686 0.834961 O\n0.305473 0.558686 0.165039 O\n0.697084 0.948799 0.835274 O\n0.190919 0.063430 0.000000 O\n0.697084 0.948799 0.164726 O\n0.197084 0.051201 0.664726 O\n0.197084 0.051201 0.335274 O\n0.690920 0.936569 0.500000 O\n0.300385 0.546060 0.500000 F\n0.800385 0.453940 0.000000 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.903654467216357,
"density_atomic": 0.10074483237606581,
"volume": 178.669213849189,
"volume_molar": 5.97761752932421,
"formula_full": "Mn6 O10 F2",
"formula_reduced": "Mn3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 3.024385500737548,
"spacegroup": 31
},
{
"id": "jvasp-97471",
"created_at": "2022-09-04T14:35:58.347336Z",
"updated_at": "2022-09-04T14:35:58.347362Z",
"structure_string": "Yb4 Ag14\n1.0\n5.443739 -0.002598 0.000000\n-2.684805 4.735623 -0.000000\n-0.000000 -0.000000 14.046288\nYb Ag\n4 14\ndirect\n0.815006 0.815006 0.115782 Yb\n0.184993 0.184993 0.884218 Yb\n0.815006 0.815006 0.384218 Yb\n0.184993 0.184993 0.615782 Yb\n0.840595 0.518905 0.574641 Ag\n0.318375 0.821207 0.250000 Ag\n0.821207 0.318376 0.250000 Ag\n0.677944 0.677944 0.750000 Ag\n0.178792 0.681623 0.750000 Ag\n0.518905 0.840595 0.925360 Ag\n0.518905 0.840595 0.574641 Ag\n0.481094 0.159404 0.425360 Ag\n0.159404 0.481094 0.074640 Ag\n0.681623 0.178792 0.750000 Ag\n0.840595 0.518905 0.925360 Ag\n0.481094 0.159404 0.074640 Ag\n0.159404 0.481094 0.425360 Ag\n0.322055 0.322055 0.250000 Ag\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Yb",
"Ag"
],
"chemical_system": "Ag-Yb",
"density": 10.102062065726225,
"density_atomic": 0.04972262436993567,
"volume": 362.00824530258575,
"volume_molar": 12.111470052737667,
"formula_full": "Yb4 Ag14",
"formula_reduced": "Yb2Ag7",
"formula_anonymous": "A2B7",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-48415",
"created_at": "2022-09-04T14:35:48.215012Z",
"updated_at": "2022-09-04T14:35:48.215036Z",
"structure_string": "V6 O10 F2\n1.0\n5.461083 -0.019713 0.041419\n1.427692 5.255352 0.053239\n2.148142 1.626667 6.488591\nV O F\n6 10 2\ndirect\n0.360751 0.336400 0.152529 V\n0.636869 0.700859 0.330863 V\n0.363130 0.299141 0.669137 V\n0.639248 0.663600 0.847471 V\n-0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.703429 0.295828 -0.001058 O\n0.638192 0.021075 0.671236 O\n0.296570 0.704172 0.001058 O\n0.565961 0.565318 0.630800 O\n0.235104 0.236690 0.965340 O\n0.434037 0.434683 0.369200 O\n0.103325 0.100934 0.695653 O\n0.764895 0.763310 0.034660 O\n0.361806 0.978925 0.328764 O\n0.896673 0.899067 0.304347 O\n0.033300 0.627611 0.670693 F\n0.966698 0.372390 0.329307 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.507019248641737,
"density_atomic": 0.0970046989496924,
"volume": 185.55802136281028,
"volume_molar": 6.208091798855168,
"formula_full": "V6 O10 F2",
"formula_reduced": "V3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.9906444869444444,
"spacegroup": 2
},
{
"id": "jvasp-63065",
"created_at": "2022-09-04T14:35:49.228952Z",
"updated_at": "2022-09-04T14:35:49.228976Z",
"structure_string": "Dy2 B8 Rh8\n1.0\n5.327991 0.000000 -0.000000\n0.000000 5.327991 0.000000\n-0.000000 0.000000 7.472333\nDy B Rh\n2 8 8\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.667853 0.000000 0.648330 B\n0.500000 0.167854 0.148330 B\n0.500000 0.832146 0.148330 B\n0.332146 0.000000 0.648330 B\n0.167854 0.500000 0.851670 B\n0.000000 0.667853 0.351670 B\n0.000000 0.332146 0.351670 B\n0.832146 0.500000 0.851670 B\n0.751508 0.000000 0.354296 Rh\n0.000000 0.751508 0.645703 Rh\n0.000000 0.248491 0.645703 Rh\n0.748491 0.500000 0.145704 Rh\n0.251509 0.500000 0.145704 Rh\n0.500000 0.251509 0.854296 Rh\n0.500000 0.748491 0.854296 Rh\n0.248491 0.000000 0.354296 Rh\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Dy",
"B",
"Rh"
],
"chemical_system": "B-Dy-Rh",
"density": 9.665818108857291,
"density_atomic": 0.08485732208931207,
"volume": 212.12076408745324,
"volume_molar": 7.096783885852202,
"formula_full": "Dy2 B8 Rh8",
"formula_reduced": "Dy(BRh)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 3.9984643148148153,
"spacegroup": 137
},
{
"id": "jvasp-42251",
"created_at": "2022-09-04T14:35:56.362640Z",
"updated_at": "2022-09-04T14:35:56.362666Z",
"structure_string": "Fe6 O6 F6\n1.0\n4.632586 -0.034231 0.034912\n0.031463 5.548146 -0.015095\n0.071293 0.566609 7.591899\nFe O F\n6 6 6\ndirect\n0.529677 0.837704 0.664936 Fe\n0.423018 0.511664 0.008232 Fe\n0.526699 0.184975 0.336623 Fe\n0.991538 0.323636 0.677436 Fe\n0.986033 0.655442 0.338125 Fe\n0.025526 -0.000042 0.973869 Fe\n0.200214 0.301932 0.896476 O\n0.314012 0.803118 0.886778 O\n0.289107 0.464160 0.241221 O\n0.706263 0.870380 0.437101 O\n0.799125 0.025969 0.759321 O\n0.804941 0.381372 0.442187 O\n0.789990 0.696850 0.094370 F\n0.702727 0.196377 0.094363 F\n0.703404 0.526091 0.783885 F\n0.291938 0.131382 0.558621 F\n0.192482 0.955294 0.229818 F\n0.223301 0.633709 0.576629 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.637585946715234,
"density_atomic": 0.09223029579750482,
"volume": 195.163637331487,
"volume_molar": 6.529460529132253,
"formula_full": "Fe6 O6 F6",
"formula_reduced": "FeOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1102364275,
"spacegroup": 1
},
{
"id": "jvasp-62761",
"created_at": "2022-09-04T14:36:02.132417Z",
"updated_at": "2022-09-04T14:36:02.132443Z",
"structure_string": "B8 Rh10\n1.0\n1.665629 -2.884954 0.000000\n1.665629 2.884954 0.000000\n0.000000 -0.000000 20.597579\nB Rh\n8 10\ndirect\n0.666667 0.333334 0.085616 B\n0.333334 0.666667 0.585616 B\n0.333334 0.666667 0.914384 B\n0.666667 0.333334 0.414384 B\n0.666667 0.333334 0.196305 B\n0.333334 0.666667 0.696305 B\n0.333334 0.666667 0.803695 B\n0.666667 0.333334 0.303695 B\n0.000000 0.000000 0.352357 Rh\n0.000000 0.000000 0.852357 Rh\n0.000000 0.000000 0.647643 Rh\n0.000000 0.000000 0.147643 Rh\n0.333334 0.666667 0.047319 Rh\n0.666667 0.333334 0.952681 Rh\n0.666667 0.333334 0.547319 Rh\n0.333334 0.666667 0.250000 Rh\n0.333334 0.666667 0.452681 Rh\n0.666667 0.333334 0.750000 Rh\n",
"nsites": 18,
"nelements": 2,
"elements": [
"B",
"Rh"
],
"chemical_system": "B-Rh",
"density": 9.35776368213874,
"density_atomic": 0.09093041344155633,
"volume": 197.95357041425015,
"volume_molar": 6.622801472106588,
"formula_full": "B8 Rh10",
"formula_reduced": "B4Rh5",
"formula_anonymous": "A4B5",
"energy_above_hull": 4.220013925925926,
"spacegroup": 194
}
]
}