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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=1082",
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"results": [
{
"id": "jvasp-19358",
"created_at": "2022-09-04T14:38:28.602072Z",
"updated_at": "2022-09-04T14:38:28.602107Z",
"structure_string": "Zn4 Bi2 Sb2 O12\n1.0\n0.000000 5.514823 0.004634\n8.172270 0.000000 0.000000\n0.000000 -0.205082 -5.594504\nZn Bi Sb O\n4 2 2 12\ndirect\n0.522230 0.750000 0.505692 Zn\n0.477770 0.250000 0.494308 Zn\n0.011163 0.750000 0.966931 Zn\n0.988837 0.250000 0.033069 Zn\n0.000000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.361735 0.572563 0.308316 O\n0.863450 0.750000 0.633124 O\n0.638265 0.072563 0.691685 O\n0.614925 0.250000 0.137790 O\n0.819561 0.926374 0.125680 O\n0.180439 0.073626 0.874320 O\n0.819561 0.573626 0.125680 O\n0.361735 0.927437 0.308316 O\n0.385075 0.750000 0.862210 O\n0.638265 0.427437 0.691685 O\n0.180439 0.426374 0.874320 O\n0.136550 0.250000 0.366876 O\n",
"nsites": 20,
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"elements": [
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"O"
],
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"density_atomic": 0.07932452858431885,
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"volume_molar": 7.591776298548943,
"formula_full": "Zn4 Bi2 Sb2 O12",
"formula_reduced": "Zn2BiSbO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 11
},
{
"id": "jvasp-24984",
"created_at": "2022-09-04T14:38:18.996548Z",
"updated_at": "2022-09-04T14:38:18.996577Z",
"structure_string": "Na4 Cd2 S4 O16\n1.0\n6.167947 -0.001437 2.076695\n0.649808 6.133621 2.076695\n-0.023994 -0.021581 8.649573\nNa Cd S O\n4 2 4 16\ndirect\n0.307457 0.419377 0.436326 Na\n0.692545 0.580622 0.563674 Na\n0.580623 0.692544 0.063675 Na\n0.419378 0.307456 0.936326 Na\n0.933731 0.066269 0.250000 Cd\n0.066270 0.933731 0.750000 Cd\n0.977054 0.403805 0.811015 S\n0.596195 0.022947 0.688986 S\n0.403806 0.977053 0.311015 S\n0.022947 0.596195 0.188986 S\n0.049780 0.228477 0.946739 O\n0.995915 0.687139 0.334403 O\n0.122764 0.580016 0.748566 O\n0.312861 0.004086 0.165598 O\n0.877238 0.419983 0.251435 O\n0.004087 0.312860 0.665597 O\n0.512389 0.254607 0.632965 O\n0.687141 0.995913 0.834403 O\n0.254607 0.512388 0.132965 O\n0.950221 0.771523 0.053261 O\n0.419985 0.877237 0.751435 O\n0.745394 0.487612 0.867036 O\n0.771524 0.950220 0.553261 O\n0.580017 0.122763 0.248566 O\n0.487613 0.745393 0.367036 O\n0.228477 0.049780 0.446740 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Na",
"Cd",
"S",
"O"
],
"chemical_system": "Cd-Na-O-S",
"density": 3.5513244636758468,
"density_atomic": 0.07931897343588902,
"volume": 327.79042483467043,
"volume_molar": 7.592307992825327,
"formula_full": "Na4 Cd2 S4 O16",
"formula_reduced": "Na2Cd(SO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 1.7366542884615384,
"spacegroup": 15
},
{
"id": "jvasp-99589",
"created_at": "2022-09-04T14:36:34.227062Z",
"updated_at": "2022-09-04T14:36:34.227073Z",
"structure_string": "Dy1 Fe2 O4\n1.0\n3.427593 -0.006972 7.775074\n1.632149 3.014055 7.775074\n-0.011732 -0.006972 8.497060\nDy Fe O\n1 2 4\ndirect\n0.499999 0.500002 0.499999 Dy\n0.712466 0.712470 0.712466 Fe\n0.287532 0.287533 0.287532 Fe\n0.791344 0.791348 0.791344 O\n0.626714 0.626717 0.626714 O\n0.208654 0.208655 0.208654 O\n0.373284 0.373286 0.373284 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Dy",
"Fe",
"O"
],
"chemical_system": "Dy-Fe-O",
"density": 6.363274173572928,
"density_atomic": 0.0793180262868305,
"volume": 88.25232204702802,
"volume_molar": 7.592398653772201,
"formula_full": "Dy1 Fe2 O4",
"formula_reduced": "Dy(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.6131187857142857,
"spacegroup": 166
},
{
"id": "jvasp-70061",
"created_at": "2022-09-04T14:35:48.659790Z",
"updated_at": "2022-09-04T14:35:48.659815Z",
"structure_string": "Mn1 Be2 Tl1\n1.0\n-1.753073 1.753073 4.102352\n1.753073 -1.753073 4.102352\n1.753073 1.753073 -4.102352\nMn Be Tl\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Tl"
],
"chemical_system": "Be-Mn-Tl",
"density": 9.132246658910363,
"density_atomic": 0.07931714545329886,
"volume": 50.430458347182444,
"volume_molar": 7.592482968951241,
"formula_full": "Mn1 Be2 Tl1",
"formula_reduced": "MnBe2Tl",
"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-40661",
"created_at": "2022-09-04T14:38:01.022850Z",
"updated_at": "2022-09-04T14:38:01.022877Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.068959 0.000000 0.000000\n0.000000 6.808511 0.000000\n0.000000 0.000000 10.228955\nLi Mn P O\n4 4 4 16\ndirect\n0.753626 0.504170 0.155313 Li\n0.253626 0.004170 0.344688 Li\n0.753626 0.995830 0.655313 Li\n0.253626 0.495830 0.844688 Li\n0.756196 0.004424 0.155944 Mn\n0.256196 0.504424 0.344056 Mn\n0.756196 0.495576 0.655944 Mn\n0.256196 0.995576 0.844056 Mn\n0.749806 0.742792 0.905964 P\n0.249805 0.242792 0.594036 P\n0.749806 0.757208 0.405964 P\n0.249805 0.257208 0.094036 P\n0.878114 0.559037 0.843346 O\n0.860225 0.932681 0.840392 O\n0.360225 0.432681 0.659609 O\n0.378114 0.059037 0.656654 O\n0.947549 0.237482 0.620144 O\n0.808635 0.752821 0.554590 O\n0.308635 0.247179 0.445410 O\n0.947549 0.262518 0.120144 O\n0.878114 0.940963 0.343346 O\n0.860225 0.567319 0.340392 O\n0.360225 0.067319 0.159609 O\n0.378114 0.440963 0.156654 O\n0.447549 0.737482 0.879857 O\n0.808635 0.747179 0.054590 O\n0.447549 0.762518 0.379857 O\n0.308635 0.252821 0.945410 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.9511585930731417,
"density_atomic": 0.07931509365543579,
"volume": 353.0223405098513,
"volume_molar": 7.592679378482052,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.546205248768473,
"spacegroup": 33
},
{
"id": "jvasp-86927",
"created_at": "2022-09-04T14:36:18.647560Z",
"updated_at": "2022-09-04T14:36:18.647591Z",
"structure_string": "Na2 La2 Ti3 O10\n1.0\n3.828379 -0.000000 -0.510018\n-0.067945 3.827776 -0.510018\n0.000341 0.000347 14.626147\nNa La Ti O\n2 2 3 10\ndirect\n0.288724 0.288725 0.577448 Na\n0.711277 0.711277 0.422552 Na\n0.424854 0.424854 0.849707 La\n0.575148 0.575147 0.150293 La\n0.000000 0.000000 0.000000 Ti\n0.148220 0.148220 0.296439 Ti\n0.851781 0.851781 0.703561 Ti\n0.500000 0.000000 -0.000000 O\n0.866486 0.366487 0.732973 O\n0.000001 0.500000 -0.000000 O\n0.209314 0.209314 0.418628 O\n0.790688 0.790688 0.581372 O\n0.633515 0.133515 0.267027 O\n0.133515 0.633515 0.267028 O\n0.366487 0.866487 0.732973 O\n0.067506 0.067506 0.135011 O\n0.932496 0.932496 0.864989 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Na",
"La",
"Ti",
"O"
],
"chemical_system": "La-Na-O-Ti",
"density": 4.860595038936633,
"density_atomic": 0.07931490362914959,
"volume": 214.33550596602137,
"volume_molar": 7.592697569371768,
"formula_full": "Na2 La2 Ti3 O10",
"formula_reduced": "Na2La2Ti3O10",
"formula_anonymous": "A2B2C3D10",
"energy_above_hull": 2.604974,
"spacegroup": 139
},
{
"id": "jvasp-48213",
"created_at": "2022-09-04T14:38:30.165409Z",
"updated_at": "2022-09-04T14:38:30.165424Z",
"structure_string": "Li2 P4 W2 O14\n1.0\n0.000000 4.901239 0.011697\n8.474949 0.000000 0.000000\n0.000000 -2.346289 -6.683319\nLi P W O\n2 4 2 14\ndirect\n0.816925 0.390689 0.333486 Li\n0.183075 0.890689 0.666513 Li\n0.197685 0.960597 0.076496 P\n0.408162 0.568854 0.534042 P\n0.591838 0.068854 0.465957 P\n0.802315 0.460597 0.923503 P\n0.786510 0.745573 0.272996 W\n0.213490 0.245573 0.727003 W\n0.129205 0.043112 0.874093 O\n0.071428 0.429592 0.868605 O\n0.791790 0.213122 0.505697 O\n0.759318 0.913222 0.486807 O\n0.392992 0.064339 0.592705 O\n0.607007 0.564340 0.407295 O\n0.870795 0.543112 0.125906 O\n0.208210 0.713122 0.494303 O\n0.928572 0.929592 0.131395 O\n0.605135 0.589058 0.764799 O\n0.394865 0.089058 0.235200 O\n0.374690 0.810997 0.081962 O\n0.240682 0.413221 0.513193 O\n0.625310 0.310997 0.918038 O\n",
"nsites": 22,
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"elements": [
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"P",
"W",
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],
"chemical_system": "Li-O-P-W",
"density": 4.366894253973889,
"density_atomic": 0.07931430720702191,
"volume": 277.37744644956416,
"volume_molar": 7.592754664402899,
"formula_full": "Li2 P4 W2 O14",
"formula_reduced": "LiP2WO7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 3.267279590909091,
"spacegroup": 4
},
{
"id": "jvasp-56504",
"created_at": "2022-09-04T14:37:37.586033Z",
"updated_at": "2022-09-04T14:37:37.586052Z",
"structure_string": "Ta4 Co8\n1.0\n2.375500 -4.114488 0.000000\n2.375500 4.114488 -0.000000\n-0.000000 -0.000000 7.739787\nTa Co\n4 8\ndirect\n0.333333 0.666667 0.065385 Ta\n0.666667 0.333333 0.934615 Ta\n0.333333 0.666667 0.434615 Ta\n0.666667 0.333333 0.565386 Ta\n0.831946 0.663892 0.250000 Co\n0.831946 0.168054 0.250000 Co\n0.168054 0.336108 0.750000 Co\n0.663892 0.831946 0.750000 Co\n0.336108 0.168054 0.250000 Co\n0.000000 0.000000 0.000000 Co\n0.168054 0.831946 0.750000 Co\n0.000000 0.000000 0.500000 Co\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Co-Ta",
"density": 13.11839135564882,
"density_atomic": 0.07931428373462761,
"volume": 151.29683374750005,
"volume_molar": 7.592756911414695,
"formula_full": "Ta4 Co8",
"formula_reduced": "TaCo2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.852673666666666,
"spacegroup": 194
},
{
"id": "jvasp-31172",
"created_at": "2022-09-04T14:38:18.847011Z",
"updated_at": "2022-09-04T14:38:18.847033Z",
"structure_string": "Mn4 Sn2 O8\n1.0\n6.310792 -0.070759 0.000840\n3.094117 5.359167 0.000000\n3.135656 1.762406 5.185816\nMn Sn O\n4 2 8\ndirect\n0.016557 0.983444 0.016556 Mn\n0.233444 0.266557 0.233444 Mn\n0.625000 0.125000 0.625001 Mn\n0.625000 0.625001 0.625001 Mn\n0.125000 0.625001 0.625000 Sn\n0.625000 0.625000 0.125000 Sn\n0.377010 0.392598 0.377010 O\n0.377010 0.853383 0.377010 O\n0.373588 0.392889 0.840636 O\n0.840635 0.392889 0.373588 O\n0.409365 0.857112 0.876413 O\n0.876412 0.857112 0.409365 O\n0.872990 0.396618 0.872991 O\n0.872990 0.857403 0.872991 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 5.504933450818839,
"density_atomic": 0.07931419174016167,
"volume": 176.51317743821798,
"volume_molar": 7.59276571805575,
"formula_full": "Mn4 Sn2 O8",
"formula_reduced": "Mn2SnO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.7945028832512318,
"spacegroup": 74
},
{
"id": "jvasp-109421",
"created_at": "2022-09-04T14:38:27.161751Z",
"updated_at": "2022-09-04T14:38:27.161782Z",
"structure_string": "Zn2 Cd1 N2\n1.0\n3.454708 0.000008 -0.000600\n-1.727799 2.991994 0.000070\n-0.000218 0.000017 6.098929\nZn Cd N\n2 1 2\ndirect\n0.666671 0.333332 0.148584 Zn\n0.333329 0.666655 0.851417 Zn\n0.000000 -0.000003 0.500000 Cd\n0.666577 0.333300 0.765089 N\n0.333423 0.666680 0.234911 N\n",
"nsites": 5,
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"elements": [
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],
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"density_atomic": 0.07931289176358496,
"volume": 63.04145377656823,
"volume_molar": 7.59289016715055,
"formula_full": "Zn2 Cd1 N2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-112924",
"created_at": "2022-09-04T14:38:44.807217Z",
"updated_at": "2022-09-04T14:38:44.807245Z",
"structure_string": "Li2 Fe2 F8\n1.0\n6.217067 -0.051073 1.982901\n5.018852 3.669558 1.982901\n-0.027257 -0.008778 6.548883\nLi Fe F\n2 2 8\ndirect\n0.804597 0.804599 0.807480 Li\n0.195402 0.195402 0.192519 Li\n0.889311 0.889313 0.212257 Fe\n0.110688 0.110688 0.787742 Fe\n0.946241 0.946243 0.867061 F\n0.854239 0.854241 0.505222 F\n0.254894 0.254894 0.843896 F\n0.380755 0.380755 0.187606 F\n0.619244 0.619245 0.812393 F\n0.745105 0.745107 0.156103 F\n0.145760 0.145760 0.494777 F\n0.053758 0.053758 0.132938 F\n",
"nsites": 12,
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"elements": [
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"Fe",
"F"
],
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"density": 3.0461294078121344,
"density_atomic": 0.07930943041235876,
"volume": 151.30609232228258,
"volume_molar": 7.593221548419508,
"formula_full": "Li2 Fe2 F8",
"formula_reduced": "LiFeF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2301177716666665,
"spacegroup": 12
},
{
"id": "jvasp-111027",
"created_at": "2022-09-04T14:38:36.668942Z",
"updated_at": "2022-09-04T14:38:36.668962Z",
"structure_string": "Mn2 V2 P4\n1.0\n3.118704 0.000000 0.000000\n0.000000 5.349976 0.000000\n0.000000 -0.000000 6.045657\nMn V P\n2 2 4\ndirect\n0.499999 0.490999 0.059978 Mn\n0.499999 0.990999 0.940022 Mn\n-0.000000 0.504387 0.451203 V\n-0.000000 0.004387 0.548797 V\n0.499999 0.311574 0.696587 P\n0.499999 0.811575 0.303413 P\n-0.000000 0.693041 0.829081 P\n-0.000000 0.193041 0.170920 P\n",
"nsites": 8,
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"elements": [
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],
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"density": 5.5255003165953,
"density_atomic": 0.07930863807783167,
"volume": 100.87173596587277,
"volume_molar": 7.593297408650504,
"formula_full": "Mn2 V2 P4",
"formula_reduced": "MnVP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4678781103448277,
"spacegroup": 26
}
]
}