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=-volume&page=1189",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1187",
"results": [
{
"id": "jvasp-43880",
"created_at": "2022-09-04T14:36:43.627845Z",
"updated_at": "2022-09-04T14:36:43.627867Z",
"structure_string": "Li4 V4 F12\n1.0\n4.866560 -0.000000 0.000000\n0.000000 5.313602 0.000000\n0.000000 0.000000 8.673626\nLi V F\n4 4 12\ndirect\n0.000000 0.250000 0.196348 Li\n0.000000 0.750000 0.803652 Li\n0.500000 0.750000 0.696348 Li\n0.500000 0.250000 0.303652 Li\n0.000000 0.750000 0.404930 V\n0.000000 0.250000 0.595071 V\n0.500000 0.750000 0.095070 V\n0.500000 0.250000 0.904930 V\n0.250000 0.551197 0.250000 F\n0.250000 0.051197 0.750000 F\n0.279900 0.586242 0.912808 F\n0.279900 0.086242 0.087192 F\n0.720100 0.413758 0.087192 F\n0.779900 0.413758 0.412808 F\n0.750000 0.948803 0.250000 F\n0.750000 0.448803 0.750000 F\n0.220100 0.086242 0.412808 F\n0.779900 0.913758 0.587193 F\n0.720100 0.913758 0.912808 F\n0.220100 0.586242 0.587193 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.4019902238134416,
"density_atomic": 0.0891698836543848,
"volume": 224.29097336852394,
"volume_molar": 6.753559064113313,
"formula_full": "Li4 V4 F12",
"formula_reduced": "LiVF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4219610095000001,
"spacegroup": 52
},
{
"id": "jvasp-105998",
"created_at": "2022-09-04T14:35:48.930544Z",
"updated_at": "2022-09-04T14:35:48.930568Z",
"structure_string": "Sr2 Al7 Ge1\n1.0\n4.512325 0.000000 0.000000\n0.000000 4.512325 -0.000000\n-0.000000 0.000000 11.015619\nSr Al Ge\n2 7 1\ndirect\n0.000000 0.000000 0.999954 Sr\n0.500001 0.500001 0.502765 Sr\n0.000000 0.500001 0.249259 Al\n0.500001 0.000000 0.751289 Al\n0.500001 0.000000 0.249259 Al\n0.000000 0.500001 0.751289 Al\n0.000000 0.000000 0.617288 Al\n0.000000 0.000000 0.378139 Al\n0.500001 0.500001 0.883641 Al\n0.500001 0.500001 0.117118 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Sr",
"density": 3.2335019430026146,
"density_atomic": 0.044585162028008614,
"volume": 224.28986562206393,
"volume_molar": 13.507051418175541,
"formula_full": "Sr2 Al7 Ge1",
"formula_reduced": "Sr2Al7Ge",
"formula_anonymous": "AB2C7",
"energy_above_hull": 1.343092817,
"spacegroup": 99
},
{
"id": "jvasp-32753",
"created_at": "2022-09-04T14:37:17.359633Z",
"updated_at": "2022-09-04T14:37:17.359661Z",
"structure_string": "Tl2 In2 Se4\n1.0\n6.387829 0.132820 -1.832969\n-3.596152 5.281068 -1.832969\n-0.068489 -0.132819 6.645257\nTl In Se\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Tl\n0.750000 0.250000 0.500000 Tl\n0.250000 0.250000 0.000000 In\n0.750000 0.750000 0.000000 In\n0.811419 0.688581 0.500000 Se\n0.688581 0.188581 0.877162 Se\n0.311420 0.811419 0.122838 Se\n0.188581 0.311419 0.500000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"In",
"Se"
],
"chemical_system": "In-Se-Tl",
"density": 7.065338566539607,
"density_atomic": 0.035670982099907905,
"volume": 224.27192998481124,
"volume_molar": 16.882464136067473,
"formula_full": "Tl2 In2 Se4",
"formula_reduced": "TlInSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3564548258333333,
"spacegroup": 140
},
{
"id": "jvasp-94805",
"created_at": "2022-09-04T14:36:00.090655Z",
"updated_at": "2022-09-04T14:36:00.090680Z",
"structure_string": "K1 Mg6 Sn1\n1.0\n7.771446 0.840565 0.000000\n-3.157773 5.469423 0.000000\n0.000000 0.000000 4.966167\nK Mg Sn\n1 6 1\ndirect\n0.091482 0.795740 0.250000 K\n0.641968 0.308844 0.250000 Mg\n0.641968 0.833122 0.250000 Mg\n0.362772 0.172465 0.750000 Mg\n0.362772 0.690307 0.750000 Mg\n0.865412 0.182706 0.750000 Mg\n0.753705 0.626852 0.750000 Mg\n0.279930 0.389966 0.250000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Mg",
"Sn"
],
"chemical_system": "K-Mg-Sn",
"density": 2.248194431705306,
"density_atomic": 0.03567123996743844,
"volume": 224.27030872216918,
"volume_molar": 16.882342092669482,
"formula_full": "K1 Mg6 Sn1",
"formula_reduced": "KMg6Sn",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-103638",
"created_at": "2022-09-04T14:36:50.636279Z",
"updated_at": "2022-09-04T14:36:50.636291Z",
"structure_string": "Tm6 Sc2\n1.0\n6.931173 0.000000 0.000000\n-3.465587 6.002572 0.000000\n-0.000000 -0.000000 5.389999\nTm Sc\n6 2\ndirect\n0.168791 0.831208 0.250000 Tm\n0.662414 0.831208 0.250000 Tm\n0.168792 0.337585 0.250000 Tm\n0.831208 0.168792 0.750000 Tm\n0.337585 0.168792 0.750000 Tm\n0.831207 0.662415 0.750000 Tm\n0.333333 0.666666 0.750000 Sc\n0.666666 0.333333 0.250000 Sc\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tm",
"Sc"
],
"chemical_system": "Sc-Tm",
"density": 8.17137905337992,
"density_atomic": 0.03567444172329647,
"volume": 224.2501806209279,
"volume_molar": 16.88082691443315,
"formula_full": "Tm6 Sc2",
"formula_reduced": "Tm3Sc",
"formula_anonymous": "AB3",
"energy_above_hull": 1.661532,
"spacegroup": 194
},
{
"id": "jvasp-47705",
"created_at": "2022-09-04T14:37:29.028216Z",
"updated_at": "2022-09-04T14:37:29.028242Z",
"structure_string": "Li2 V2 H4 O2 F10\n1.0\n5.581600 0.120319 -0.016920\n-2.007528 5.209470 0.016919\n-0.608753 0.408221 7.650482\nLi V H O F\n2 2 4 2 10\ndirect\n0.260119 0.711756 0.494524 Li\n0.711756 0.260119 0.005476 Li\n0.237769 0.237769 0.250000 V\n0.764922 0.764922 0.750000 V\n0.122355 0.205412 0.839773 H\n0.205412 0.122355 0.660227 H\n0.799454 0.874245 0.343535 H\n0.874245 0.799454 0.156465 H\n0.923844 0.923845 0.250000 O\n0.077894 0.077894 0.750000 O\n0.844252 0.641566 0.976621 F\n0.077133 0.417667 0.365352 F\n0.088987 0.315010 0.036038 F\n0.630771 0.978217 0.846129 F\n0.481341 0.481341 0.750000 F\n0.315011 0.088987 0.463962 F\n0.641566 0.844251 0.523379 F\n0.516808 0.516808 0.250000 F\n0.417667 0.077133 0.134648 F\n0.978217 0.630771 0.653871 F\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"V",
"H",
"O",
"F"
],
"chemical_system": "F-H-Li-O-V",
"density": 2.531136179403801,
"density_atomic": 0.08919700717745552,
"volume": 224.22276971928477,
"volume_molar": 6.751505404232992,
"formula_full": "Li2 V2 H4 O2 F10",
"formula_reduced": "LiVH2OF5",
"formula_anonymous": "ABCD2E5",
"energy_above_hull": 1.18344691125,
"spacegroup": 5
},
{
"id": "jvasp-102382",
"created_at": "2022-09-04T14:37:04.821148Z",
"updated_at": "2022-09-04T14:37:04.821171Z",
"structure_string": "K2 Ta1 Hg1 F6\n1.0\n5.905562 -0.000000 3.409578\n1.968521 5.567817 3.409578\n-0.000000 -0.000000 6.819156\nK Ta Hg F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500001 Hg\n0.793592 0.206407 0.206408 F\n0.206407 0.206407 0.793593 F\n0.206407 0.793593 0.793593 F\n0.206407 0.793593 0.206408 F\n0.793592 0.206407 0.793594 F\n0.793592 0.793593 0.206408 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ta",
"Hg",
"F"
],
"chemical_system": "F-Hg-K-Ta",
"density": 4.2488948548472525,
"density_atomic": 0.044598801507223125,
"volume": 224.22127191871786,
"volume_molar": 13.502920608807544,
"formula_full": "K2 Ta1 Hg1 F6",
"formula_reduced": "K2TaHgF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0137071494999997,
"spacegroup": 225
},
{
"id": "jvasp-66346",
"created_at": "2022-09-04T14:36:07.523113Z",
"updated_at": "2022-09-04T14:36:07.523137Z",
"structure_string": "Ba4 Mg1 Re1\n1.0\n0.000000 4.821845 4.821845\n4.821845 -0.000000 4.821845\n4.821845 4.821845 -0.000000\nBa Mg Re\n4 1 1\ndirect\n0.121375 0.626209 0.626209 Ba\n0.626209 0.626209 0.626209 Ba\n0.626209 0.121375 0.626209 Ba\n0.626209 0.626209 0.121375 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Re\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Re"
],
"chemical_system": "Ba-Mg-Re",
"density": 5.627170646813266,
"density_atomic": 0.02675971708617349,
"volume": 224.21761712496382,
"volume_molar": 22.504500853305313,
"formula_full": "Ba4 Mg1 Re1",
"formula_reduced": "Ba4MgRe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.149965155,
"spacegroup": 216
},
{
"id": "jvasp-112563",
"created_at": "2022-09-04T14:38:41.460994Z",
"updated_at": "2022-09-04T14:38:41.461025Z",
"structure_string": "Zr5 Zn4 Si4\n1.0\n7.877349 -0.002620 -0.464261\n-7.002009 3.608946 -0.464261\n0.000636 0.002620 7.891018\nZr Zn Si\n5 4 4\ndirect\n0.371460 0.299130 0.670590 Zr\n0.628541 0.700871 0.329411 Zr\n0.700871 0.371460 0.072330 Zr\n0.299131 0.628541 0.927671 Zr\n0.000000 0.000000 0.000000 Zr\n0.105068 0.412445 0.517514 Zn\n0.894934 0.587556 0.482487 Zn\n0.587556 0.105068 0.692623 Zn\n0.412446 0.894934 0.307378 Zn\n0.243516 0.060484 0.303998 Si\n0.756486 0.939517 0.696003 Si\n0.939517 0.243516 0.183032 Si\n0.060485 0.756485 0.816969 Si\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zr",
"Zn",
"Si"
],
"chemical_system": "Si-Zn-Zr",
"density": 6.147919569697228,
"density_atomic": 0.057981983037509885,
"volume": 224.20757826771808,
"volume_molar": 10.386227659899347,
"formula_full": "Zr5 Zn4 Si4",
"formula_reduced": "Zr5(ZnSi)4",
"formula_anonymous": "A4B4C5",
"energy_above_hull": 2.5816760384615383,
"spacegroup": 87
},
{
"id": "jvasp-12378",
"created_at": "2022-09-04T14:38:13.916613Z",
"updated_at": "2022-09-04T14:38:13.916636Z",
"structure_string": "Ho4 Mn4 Ge4\n1.0\n4.078884 -0.000000 0.000000\n0.000000 7.007749 0.000000\n0.000000 0.000000 7.843865\nHo Mn Ge\n4 4 4\ndirect\n0.250000 0.522563 0.183690 Ho\n0.749999 0.477437 0.816310 Ho\n0.250000 0.022563 0.316310 Ho\n0.749999 0.977437 0.683689 Ho\n0.749999 0.366761 0.443756 Mn\n0.250000 0.133239 0.943756 Mn\n0.749999 0.866761 0.056244 Mn\n0.250000 0.633239 0.556243 Mn\n0.250000 0.274113 0.617147 Ge\n0.749999 0.225887 0.117147 Ge\n0.250000 0.774113 0.882852 Ge\n0.749999 0.725888 0.382853 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ho",
"Mn",
"Ge"
],
"chemical_system": "Ge-Ho-Mn",
"density": 8.665574812911343,
"density_atomic": 0.05352186557915727,
"volume": 224.20743130211616,
"volume_molar": 11.251739256161448,
"formula_full": "Ho4 Mn4 Ge4",
"formula_reduced": "HoMnGe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.749136252681992,
"spacegroup": 62
},
{
"id": "jvasp-66667",
"created_at": "2022-09-04T14:36:22.079050Z",
"updated_at": "2022-09-04T14:36:22.079075Z",
"structure_string": "Ba4 Sn1 Pt1\n1.0\n0.000000 4.821624 4.821624\n4.821624 0.000000 4.821624\n4.821624 4.821624 -0.000000\nBa Sn Pt\n4 1 1\ndirect\n0.126263 0.624578 0.624578 Ba\n0.624578 0.624578 0.624578 Ba\n0.624578 0.126263 0.624578 Ba\n0.624578 0.624578 0.126263 Ba\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"Pt"
],
"chemical_system": "Ba-Pt-Sn",
"density": 6.39294847486209,
"density_atomic": 0.026763396864114324,
"volume": 224.1867887870801,
"volume_molar": 22.501406643469767,
"formula_full": "Ba4 Sn1 Pt1",
"formula_reduced": "Ba4SnPt",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4289928299999999,
"spacegroup": 216
},
{
"id": "jvasp-48295",
"created_at": "2022-09-04T14:36:31.792529Z",
"updated_at": "2022-09-04T14:36:31.792549Z",
"structure_string": "Li1 Mn1 P3 H1 O10\n1.0\n4.660981 4.100991 -0.018650\n-4.660981 4.100991 0.018650\n-2.703889 0.000000 5.875068\nLi Mn P H O\n1 1 3 1 10\ndirect\n-0.110124 -0.110124 0.500000 Li\n0.679373 0.679373 -0.000000 Mn\n0.202683 0.560661 0.088634 P\n0.580768 0.580768 0.500000 P\n0.560661 0.202683 0.911366 P\n0.230922 0.230922 0.000000 H\n0.357236 0.673249 0.937732 O\n0.699550 0.990655 -0.001285 O\n0.618939 0.754574 0.628206 O\n0.326187 0.595520 0.339255 O\n0.305865 0.166869 0.877747 O\n0.166869 0.305865 0.122253 O\n0.595520 0.326187 0.660745 O\n0.754574 0.618939 0.371794 O\n0.990655 0.699550 0.001285 O\n0.673249 0.357236 0.062268 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P",
"density": 2.3391377904379076,
"density_atomic": 0.07136930075297902,
"volume": 224.186027202069,
"volume_molar": 8.437998826475303,
"formula_full": "Li1 Mn1 P3 H1 O10",
"formula_reduced": "LiMnP3HO10",
"formula_anonymous": "ABCD3E10",
"energy_above_hull": 3.0363817963362068,
"spacegroup": 5
}
]
}