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=567",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=565",
"results": [
{
"id": "jvasp-20972",
"created_at": "2022-09-04T14:38:20.098826Z",
"updated_at": "2022-09-04T14:38:20.098847Z",
"structure_string": "Na6 Sc2 F12\n1.0\n0.000000 5.580506 -0.011609\n5.838205 0.000000 0.000000\n0.000000 -5.450045 -8.096378\nNa Sc F\n6 2 12\ndirect\n0.723275 0.559848 0.741917 Na\n0.276725 0.059849 0.758084 Na\n0.276725 0.440151 0.258084 Na\n0.723275 0.940151 0.241917 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n-0.000000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.896531 0.566357 0.268009 F\n0.103469 0.066358 0.231991 F\n0.353915 0.179099 0.056194 F\n0.646085 0.679098 0.443806 F\n0.646085 0.820900 0.943806 F\n0.249000 0.712485 0.078600 F\n0.751000 0.287514 0.921401 F\n0.249000 0.787513 0.578600 F\n0.896531 0.933642 0.768010 F\n0.751001 0.212486 0.421400 F\n0.353915 0.320901 0.556195 F\n0.103469 0.433642 0.731991 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Sc",
"F"
],
"chemical_system": "F-Na-Sc",
"density": 2.8655091077509054,
"density_atomic": 0.07571441466056159,
"volume": 264.1504935310248,
"volume_molar": 7.953757269336503,
"formula_full": "Na6 Sc2 F12",
"formula_reduced": "Na3ScF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-32340",
"created_at": "2022-09-04T14:38:06.891338Z",
"updated_at": "2022-09-04T14:38:06.891363Z",
"structure_string": "V4 Cl12 O4\n1.0\n4.891052 0.000000 0.000000\n-0.000000 9.116661 0.000000\n0.000000 0.000000 11.210135\nV Cl O\n4 12 4\ndirect\n0.136223 0.250000 0.046429 V\n0.863778 0.750000 0.953571 V\n0.363776 0.750000 0.546429 V\n0.636224 0.250000 0.453571 V\n0.726391 0.554555 0.865447 Cl\n0.273608 0.445446 0.134553 Cl\n0.226391 0.554555 0.634552 Cl\n0.726391 0.945445 0.865447 Cl\n0.226391 0.945445 0.634552 Cl\n0.773609 0.054555 0.365447 Cl\n0.773609 0.445446 0.365447 Cl\n0.255102 0.250000 0.862070 Cl\n0.744897 0.750000 0.137930 Cl\n0.755102 0.250000 0.637930 Cl\n0.244898 0.750000 0.362070 Cl\n0.273608 0.054555 0.134553 Cl\n0.809085 0.250000 0.051262 O\n0.309087 0.250000 0.448737 O\n0.190912 0.750000 0.948738 O\n0.690913 0.750000 0.551262 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"Cl",
"O"
],
"chemical_system": "Cl-O-V",
"density": 2.3028119373414904,
"density_atomic": 0.04001115302222098,
"volume": 499.8606260832475,
"volume_molar": 15.05115525327522,
"formula_full": "V4 Cl12 O4",
"formula_reduced": "VCl3O",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2113879805,
"spacegroup": 62
},
{
"id": "jvasp-112298",
"created_at": "2022-09-04T14:38:26.126018Z",
"updated_at": "2022-09-04T14:38:26.126044Z",
"structure_string": "Ba2 Sm2 Co4 O12\n1.0\n3.866696 -0.000000 0.000000\n0.000000 7.607637 0.000000\n-0.000000 -0.000000 7.735334\nBa Sm Co O\n2 2 4 12\ndirect\n0.500000 0.000000 0.250001 Ba\n0.500000 0.000000 0.749999 Ba\n0.500000 0.500000 0.250004 Sm\n0.500000 0.500000 0.749996 Sm\n-0.000000 0.748646 0.500000 Co\n-0.000000 0.251354 0.500000 Co\n-0.000000 0.748641 -0.000000 Co\n-0.000000 0.251359 -0.000000 Co\n-0.000000 0.722328 0.750000 O\n-0.000000 0.722328 0.249999 O\n0.500000 0.277669 0.500000 O\n0.500000 0.722332 0.500000 O\n0.500000 0.277650 -0.000000 O\n0.000000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.277672 0.750000 O\n0.000000 0.000000 0.000000 O\n0.500000 0.722350 -0.000000 O\n-0.000000 0.277672 0.249999 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Sm",
"Co",
"O"
],
"chemical_system": "Ba-Co-O-Sm",
"density": 7.320222205974693,
"density_atomic": 0.0878943814014788,
"volume": 227.5458303602499,
"volume_molar": 6.851565098902532,
"formula_full": "Ba2 Sm2 Co4 O12",
"formula_reduced": "BaSm(CoO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.4569287645,
"spacegroup": 123
},
{
"id": "jvasp-112293",
"created_at": "2022-09-04T14:38:26.340473Z",
"updated_at": "2022-09-04T14:38:26.340507Z",
"structure_string": "B8 Os4 W8\n1.0\n3.091107 0.000000 0.000000\n0.000000 7.631468 0.000000\n-0.000000 -0.000000 9.681661\nB Os W\n8 4 8\ndirect\n0.500000 0.113339 0.460249 B\n0.500000 0.886661 0.539751 B\n-0.000000 0.386661 0.960249 B\n-0.000000 0.613339 0.039751 B\n0.500000 0.122794 0.269193 B\n0.500000 0.877206 0.730807 B\n-0.000000 0.377206 0.769192 B\n-0.000000 0.622794 0.230807 B\n-0.000000 0.116493 0.107718 Os\n-0.000000 0.883508 0.892282 Os\n0.500000 0.383508 0.607718 Os\n0.500000 0.616493 0.392282 Os\n0.500000 0.806328 0.130136 W\n0.500000 0.193672 0.869864 W\n-0.000000 0.693672 0.630136 W\n-0.000000 0.306328 0.369864 W\n0.500000 0.576044 0.860277 W\n0.500000 0.423956 0.139723 W\n-0.000000 0.923956 0.360277 W\n-0.000000 0.076044 0.639723 W\n",
"nsites": 20,
"nelements": 3,
"elements": [
"B",
"Os",
"W"
],
"chemical_system": "B-Os-W",
"density": 16.854447171799592,
"density_atomic": 0.08757053392706289,
"volume": 228.38732508651725,
"volume_molar": 6.876903097354429,
"formula_full": "B8 Os4 W8",
"formula_reduced": "B2OsW2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 6.538324033333334,
"spacegroup": 58
},
{
"id": "jvasp-46803",
"created_at": "2022-09-04T14:38:06.926731Z",
"updated_at": "2022-09-04T14:38:06.926762Z",
"structure_string": "Li4 V4 F12\n1.0\n7.092491 -0.173839 -0.105988\n-2.957560 6.448758 0.105988\n-1.849611 1.218823 5.255360\nLi V F\n4 4 12\ndirect\n0.066813 0.066813 0.750000 Li\n0.318106 0.318106 0.250000 Li\n0.681894 0.681894 0.750000 Li\n0.933187 0.933187 0.250000 Li\n0.162453 0.662765 0.697571 V\n0.337235 0.837547 0.197571 V\n0.662765 0.162452 0.802429 V\n0.837547 0.337234 0.302429 V\n0.593448 0.331172 0.428438 F\n0.668827 0.406551 0.928438 F\n0.781458 0.922182 0.883494 F\n0.664341 0.024185 0.209133 F\n0.335659 0.975815 0.790867 F\n0.077818 0.218542 0.383494 F\n0.331173 0.593449 0.071562 F\n0.406552 0.668827 0.571562 F\n0.922182 0.781458 0.616506 F\n0.975815 0.335659 0.709133 F\n0.218542 0.077818 0.116506 F\n0.024186 0.664341 0.290867 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.2345434783439893,
"density_atomic": 0.08478092136187139,
"volume": 235.90213079466037,
"volume_molar": 7.1031791861468765,
"formula_full": "Li4 V4 F12",
"formula_reduced": "LiVF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4375790095,
"spacegroup": 15
},
{
"id": "jvasp-58862",
"created_at": "2022-09-04T14:38:19.865101Z",
"updated_at": "2022-09-04T14:38:19.865125Z",
"structure_string": "Na6 Cr2 Cl12\n1.0\n3.390879 -5.873176 -0.000000\n3.390879 5.873176 0.000000\n0.000000 -0.000000 11.969689\nNa Cr Cl\n6 2 12\ndirect\n0.000000 0.000000 0.250000 Na\n0.000000 0.000000 0.750000 Na\n0.333333 0.666667 0.542792 Na\n0.333333 0.666667 0.957208 Na\n0.666667 0.333333 0.457208 Na\n0.666667 0.333333 0.042792 Na\n0.666667 0.333333 0.750000 Cr\n0.333333 0.666667 0.250000 Cr\n0.678433 0.056076 0.633816 Cl\n0.943924 0.622355 0.633816 Cl\n0.943924 0.321567 0.866184 Cl\n0.678433 0.622355 0.866184 Cl\n0.056076 0.377645 0.366184 Cl\n0.321568 0.377645 0.133816 Cl\n0.622355 0.678433 0.366184 Cl\n0.321567 0.943924 0.366184 Cl\n0.377645 0.321568 0.633816 Cl\n0.056076 0.678433 0.133816 Cl\n0.377645 0.056076 0.866184 Cl\n0.622355 0.943924 0.133816 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Cr",
"Cl"
],
"chemical_system": "Cl-Cr-Na",
"density": 2.324424984912796,
"density_atomic": 0.04194998648765642,
"volume": 476.75819885865525,
"volume_molar": 14.355524910054466,
"formula_full": "Na6 Cr2 Cl12",
"formula_reduced": "Na3CrCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.2299978805000006,
"spacegroup": 163
},
{
"id": "jvasp-31884",
"created_at": "2022-09-04T14:38:06.877594Z",
"updated_at": "2022-09-04T14:38:06.877610Z",
"structure_string": "Ta4 I16\n1.0\n7.090259 0.016585 0.003871\n2.662107 10.159138 1.930245\n-0.041479 0.003492 10.761142\nTa I\n4 16\ndirect\n0.114057 0.911494 0.834464 Ta\n0.885943 0.088506 0.165536 Ta\n0.188796 0.671654 0.720479 Ta\n0.811204 0.328347 0.279520 Ta\n0.920222 0.542875 0.663862 I\n0.654546 0.291409 0.504669 I\n0.969266 0.321197 0.029364 I\n0.752685 0.053495 0.921800 I\n0.510116 0.238766 0.169879 I\n0.125192 0.095406 0.364969 I\n0.030734 0.678803 0.970636 I\n0.079778 0.457126 0.336137 I\n0.345454 0.708592 0.495331 I\n0.795818 0.869342 0.284734 I\n0.204182 0.130659 0.715265 I\n0.874808 0.904594 0.635030 I\n0.489884 0.761235 0.830121 I\n0.247315 0.946506 0.078199 I\n0.430567 0.427270 0.812693 I\n0.569433 0.572730 0.187306 I\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Ta",
"I"
],
"chemical_system": "I-Ta",
"density": 5.904322541913758,
"density_atomic": 0.025819365061176783,
"volume": 774.6123869665929,
"volume_molar": 23.32412414376206,
"formula_full": "Ta4 I16",
"formula_reduced": "TaI4",
"formula_anonymous": "AB4",
"energy_above_hull": 1.0681468599999993,
"spacegroup": 2
},
{
"id": "jvasp-48650",
"created_at": "2022-09-04T14:38:06.882967Z",
"updated_at": "2022-09-04T14:38:06.882992Z",
"structure_string": "Li1 Mn7 O3 F9\n1.0\n6.270094 0.017364 -0.009833\n0.024331 6.329564 -0.017272\n0.033363 0.001248 6.356134\nLi Mn O F\n1 7 3 9\ndirect\n0.512032 0.491731 0.510148 Li\n0.061301 0.566837 0.241896 Mn\n0.434706 0.261799 0.055761 Mn\n0.236587 0.927204 0.546888 Mn\n0.987132 0.035150 0.033308 Mn\n0.738418 0.033758 0.418676 Mn\n0.568559 0.765944 0.950157 Mn\n0.961016 0.430941 0.749607 Mn\n0.658676 0.042098 0.100528 O\n0.026407 0.877279 0.317218 O\n0.117941 0.334932 0.027569 O\n0.447403 0.579614 0.202237 F\n0.206670 0.567227 0.571849 F\n0.422395 0.190537 0.454061 F\n0.569094 0.802732 0.591028 F\n0.287051 0.933890 0.876363 F\n0.818783 0.410921 0.431443 F\n0.600332 0.438891 0.815834 F\n0.941090 0.097929 0.685708 F\n0.904391 0.710578 0.919724 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.018726098672043,
"density_atomic": 0.0792848004307189,
"volume": 252.25515977020737,
"volume_molar": 7.595580397862391,
"formula_full": "Li1 Mn7 O3 F9",
"formula_reduced": "LiMn7(OF3)3",
"formula_anonymous": "AB3C7D9",
"energy_above_hull": 2.186239186607758,
"spacegroup": 1
},
{
"id": "jvasp-117308",
"created_at": "2022-09-04T14:38:26.272999Z",
"updated_at": "2022-09-04T14:38:26.273015Z",
"structure_string": "Dy8 Sn4 Au8\n1.0\n7.908904 -0.000000 0.000000\n0.000000 7.908904 0.000000\n-0.000000 -0.000000 7.504899\nDy Sn Au\n8 4 8\ndirect\n0.837679 0.162320 0.500000 Dy\n0.162320 0.837679 0.500000 Dy\n0.337679 0.337679 -0.000000 Dy\n0.662320 0.662320 -0.000000 Dy\n0.677499 0.677499 0.500000 Dy\n0.322501 0.322501 0.500000 Dy\n0.177499 0.822501 -0.000000 Dy\n0.822501 0.177499 -0.000000 Dy\n-0.000000 0.500000 0.250000 Sn\n0.500000 0.000000 0.750000 Sn\n-0.000000 0.500000 0.750000 Sn\n0.500000 0.000000 0.250000 Sn\n0.627970 0.372029 0.265645 Au\n0.372029 0.627970 0.265645 Au\n0.127970 0.127970 0.765645 Au\n0.872029 0.872029 0.765645 Au\n0.372029 0.627970 0.734355 Au\n0.627970 0.372029 0.734355 Au\n0.872029 0.872029 0.234355 Au\n0.127970 0.127970 0.234355 Au\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Dy",
"Sn",
"Au"
],
"chemical_system": "Au-Dy-Sn",
"density": 11.851973285985547,
"density_atomic": 0.04260421186464141,
"volume": 469.43715479451544,
"volume_molar": 14.135083120732403,
"formula_full": "Dy8 Sn4 Au8",
"formula_reduced": "Dy2SnAu2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6906439679999998,
"spacegroup": 136
},
{
"id": "jvasp-54739",
"created_at": "2022-09-04T14:38:12.287249Z",
"updated_at": "2022-09-04T14:38:12.287279Z",
"structure_string": "Zn4 H8 O8\n1.0\n4.825616 0.000000 0.000000\n0.000000 5.103708 0.000000\n0.000000 0.000000 8.581419\nZn H O\n4 8 8\ndirect\n0.573426 0.642397 0.123674 Zn\n0.426575 0.142397 0.376326 Zn\n0.073426 0.857604 0.876326 Zn\n0.926575 0.357603 0.623674 Zn\n0.961003 0.360290 0.339931 H\n0.038997 0.860290 0.160069 H\n0.538998 0.639710 0.839931 H\n0.461003 0.139710 0.660069 H\n0.255387 0.328711 0.847245 H\n0.244614 0.671289 0.347245 H\n0.755387 0.171289 0.152755 H\n0.744614 0.828712 0.652755 H\n0.887081 0.885364 0.081139 O\n0.681484 0.311741 0.223484 O\n0.318517 0.811741 0.276516 O\n0.181483 0.188260 0.776516 O\n0.818518 0.688260 0.723484 O\n0.387081 0.614636 0.918861 O\n0.612920 0.114636 0.581139 O\n0.112920 0.385364 0.418861 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zn",
"H",
"O"
],
"chemical_system": "H-O-Zn",
"density": 3.1246489800749897,
"density_atomic": 0.09463075592305978,
"volume": 211.34777805496074,
"volume_molar": 6.363830343801063,
"formula_full": "Zn4 H8 O8",
"formula_reduced": "Zn(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5397334799999995,
"spacegroup": 19
},
{
"id": "jvasp-25775",
"created_at": "2022-09-04T14:38:07.193244Z",
"updated_at": "2022-09-04T14:38:07.193263Z",
"structure_string": "Cd4 Bi2 As2 O12\n1.0\n5.697847 0.000000 0.000000\n0.000000 6.939827 -2.129603\n0.000000 0.169732 7.257244\nCd Bi As O\n4 2 2 12\ndirect\n0.367514 0.593284 0.815882 Cd\n0.367514 0.184117 0.406716 Cd\n0.867514 0.406716 0.184117 Cd\n0.867514 0.815883 0.593284 Cd\n0.374841 0.096866 0.903133 Bi\n0.874842 0.903134 0.096867 Bi\n0.355613 0.665950 0.334050 As\n0.855614 0.334050 0.665950 As\n0.321396 0.519369 0.480631 O\n0.717001 0.434724 0.883134 O\n0.717001 0.116866 0.565276 O\n0.651332 0.703137 0.296864 O\n0.821396 0.480631 0.519369 O\n0.217001 0.883134 0.434724 O\n0.619600 0.153191 0.157992 O\n0.119600 0.846809 0.842008 O\n0.151332 0.296864 0.703136 O\n0.619600 0.842008 0.846809 O\n0.119600 0.157992 0.153191 O\n0.217001 0.565276 0.116866 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cd",
"Bi",
"As",
"O"
],
"chemical_system": "As-Bi-Cd-O",
"density": 6.948591284548677,
"density_atomic": 0.06919792157453629,
"volume": 289.02602195149854,
"volume_molar": 8.70277693747387,
"formula_full": "Cd4 Bi2 As2 O12",
"formula_reduced": "Cd2BiAsO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.5276446549999996,
"spacegroup": 36
},
{
"id": "jvasp-33292",
"created_at": "2022-09-04T14:38:12.022598Z",
"updated_at": "2022-09-04T14:38:12.022623Z",
"structure_string": "H8 Pb4 O8\n1.0\n7.997325 -0.000000 0.000000\n0.000000 3.774525 0.000000\n0.000000 0.000000 9.478972\nH Pb O\n8 4 8\ndirect\n0.979981 0.250000 0.148873 H\n0.479981 0.250000 0.351127 H\n0.020019 0.750001 0.851127 H\n0.520019 0.750001 0.648873 H\n0.698075 0.250000 0.143459 H\n0.198075 0.250000 0.356541 H\n0.301925 0.750001 0.856541 H\n0.801925 0.750001 0.643459 H\n0.694983 0.750001 0.930611 Pb\n0.194982 0.750001 0.569389 Pb\n0.305018 0.250000 0.069389 Pb\n0.805018 0.250000 0.430611 Pb\n0.085075 0.250000 0.205585 O\n0.585075 0.250000 0.294415 O\n0.914925 0.750001 0.794415 O\n0.414925 0.750001 0.705585 O\n0.781344 0.250000 0.064113 O\n0.281343 0.250000 0.435887 O\n0.218657 0.750001 0.935887 O\n0.718657 0.750001 0.564112 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"H",
"Pb",
"O"
],
"chemical_system": "H-O-Pb",
"density": 5.599439176887493,
"density_atomic": 0.06989750978656885,
"volume": 286.1332265064913,
"volume_molar": 8.615672830675269,
"formula_full": "H8 Pb4 O8",
"formula_reduced": "H2PbO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.9769035639999997,
"spacegroup": 62
}
]
}