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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1151",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1149",
"results": [
{
"id": "jvasp-119420",
"created_at": "2022-09-04T14:38:33.011693Z",
"updated_at": "2022-09-04T14:38:33.011727Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.890890 -0.039085 -0.494761\n-1.621716 5.485941 -0.038455\n0.046966 -0.034872 8.546038\nLi Mn Co O\n8 2 4 14\ndirect\n0.429728 0.362478 0.852671 Li\n0.720160 0.929628 0.427511 Li\n0.852760 0.216438 0.705183 Li\n0.145637 0.774454 0.293134 Li\n0.277026 0.078054 0.561574 Li\n0.559641 0.635070 0.154482 Li\n0.007668 0.499321 0.004783 Li\n0.145056 0.289815 0.293256 Li\n0.000230 0.001343 0.001304 Mn\n0.574718 0.149003 0.149910 Mn\n0.429233 0.858262 0.857218 Co\n0.713687 0.426251 0.426915 Co\n0.285260 0.569662 0.569335 Co\n0.857477 0.715026 0.712840 Co\n0.720537 0.700135 0.918293 O\n0.285240 0.296450 0.066462 O\n0.565613 0.870663 0.655275 O\n0.716060 0.162678 0.936600 O\n-0.005667 0.724937 0.509272 O\n0.138730 0.015561 0.793816 O\n0.437396 0.599017 0.371875 O\n0.833062 0.446507 0.216257 O\n0.578596 0.417443 0.632675 O\n0.847148 0.969739 0.196513 O\n0.000286 0.271399 0.501609 O\n0.285050 0.840276 0.065300 O\n0.449479 0.117124 0.348133 O\n0.150194 0.563274 0.777800 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.535917658095223,
"density_atomic": 0.12235023777164496,
"volume": 228.8512103446773,
"volume_molar": 4.9220507206857675,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.553496681527094,
"spacegroup": 1
},
{
"id": "jvasp-64028",
"created_at": "2022-09-04T14:36:06.365776Z",
"updated_at": "2022-09-04T14:36:06.365801Z",
"structure_string": "Ba4 Cd1 Pt1\n1.0\n-0.000000 4.854806 4.854806\n4.854806 0.000000 4.854806\n4.854806 4.854806 -0.000000\nBa Cd Pt\n4 1 1\ndirect\n0.121910 0.626031 0.626031 Ba\n0.626031 0.626031 0.626031 Ba\n0.626031 0.121910 0.626031 Ba\n0.626031 0.626031 0.121910 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Pt"
],
"chemical_system": "Ba-Cd-Pt",
"density": 6.2170511464124525,
"density_atomic": 0.02621836557207685,
"volume": 228.84721717322208,
"volume_molar": 22.969169239190542,
"formula_full": "Ba4 Cd1 Pt1",
"formula_reduced": "Ba4CdPt",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0275741716666666,
"spacegroup": 216
},
{
"id": "jvasp-112915",
"created_at": "2022-09-04T14:38:44.373038Z",
"updated_at": "2022-09-04T14:38:44.373064Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n10.237751 -0.091924 0.848062\n-9.174160 4.544754 0.848062\n-0.027466 -0.114989 4.965373\nLi Mn Co O\n8 2 4 14\ndirect\n0.784871 0.215129 0.499999 Li\n0.215128 0.784870 0.500000 Li\n0.640431 0.359569 0.499999 Li\n0.064561 0.935437 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.935438 0.064563 0.499999 Li\n0.359568 0.640431 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.860197 0.139804 -0.000000 Mn\n0.139803 0.860196 -0.000000 Mn\n0.570498 0.429502 -0.000000 Co\n0.429502 0.570498 -0.000000 Co\n0.285806 0.714193 -0.000000 Co\n0.714193 0.285807 -0.000000 Co\n0.168920 0.321986 0.770569 O\n0.545916 0.976267 0.219959 O\n0.976267 0.545917 0.219959 O\n0.401621 0.114294 0.221338 O\n0.831079 0.678014 0.229430 O\n0.279226 0.279226 0.226365 O\n0.678014 0.831079 0.229430 O\n0.114294 0.401621 0.221338 O\n0.023732 0.454083 0.780040 O\n0.454083 0.023733 0.780040 O\n0.885706 0.598379 0.778661 O\n0.321985 0.168921 0.770569 O\n0.720773 0.720774 0.773634 O\n0.598378 0.885705 0.778661 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.53608525740139,
"density_atomic": 0.12235475853602067,
"volume": 228.842754748741,
"volume_molar": 4.921868860725272,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.55362596724138,
"spacegroup": 12
},
{
"id": "jvasp-14671",
"created_at": "2022-09-04T14:36:31.615340Z",
"updated_at": "2022-09-04T14:36:31.615375Z",
"structure_string": "Zr5 Te4\n1.0\n3.762101 -0.000000 0.948897\n1.881051 7.679840 0.474448\n0.002824 0.000000 7.921072\nZr Te\n5 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.309682 0.058459 0.322176 Zr\n0.631859 0.677824 0.058459 Zr\n0.368140 0.322176 0.941542 Zr\n0.690316 0.941541 0.677825 Zr\n0.051694 0.230265 0.666346 Te\n0.718040 0.333654 0.230266 Te\n0.281959 0.666346 0.769735 Te\n0.948304 0.769735 0.333655 Te\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Zr",
"Te"
],
"chemical_system": "Te-Zr",
"density": 7.013461440181702,
"density_atomic": 0.039329188035407615,
"volume": 228.83767627995277,
"volume_molar": 15.312141086102097,
"formula_full": "Zr5 Te4",
"formula_reduced": "Zr5Te4",
"formula_anonymous": "A4B5",
"energy_above_hull": 3.220491507407407,
"spacegroup": 87
},
{
"id": "jvasp-38249",
"created_at": "2022-09-04T14:38:02.838951Z",
"updated_at": "2022-09-04T14:38:02.838966Z",
"structure_string": "Rb3 Cd1\n1.0\n6.116435 0.000000 0.000000\n0.000000 6.116435 0.000000\n0.000000 -0.000000 6.116435\nRb Cd\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Cd"
],
"chemical_system": "Cd-Rb",
"density": 2.676466872689311,
"density_atomic": 0.01748094461862887,
"volume": 228.82058648806262,
"volume_molar": 34.44974451542168,
"formula_full": "Rb3 Cd1",
"formula_reduced": "Rb3Cd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-56346",
"created_at": "2022-09-04T14:37:36.339205Z",
"updated_at": "2022-09-04T14:37:36.339233Z",
"structure_string": "Dy4 In2 Ge4\n1.0\n7.426614 0.000000 -0.000000\n0.000000 7.426614 0.000000\n0.000000 -0.000000 4.148626\nDy In Ge\n4 2 4\ndirect\n0.178557 0.321442 0.500000 Dy\n0.821442 0.678557 0.500000 Dy\n0.321442 0.821442 0.500000 Dy\n0.678557 0.178557 0.500000 Dy\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.121309 0.621308 0.000000 Ge\n0.878691 0.378691 0.000000 Ge\n0.378691 0.121309 0.000000 Ge\n0.621308 0.878691 0.000000 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Dy",
"In",
"Ge"
],
"chemical_system": "Dy-Ge-In",
"density": 8.49222941586732,
"density_atomic": 0.043703277849385026,
"volume": 228.81578893150953,
"volume_molar": 13.779608890560004,
"formula_full": "Dy4 In2 Ge4",
"formula_reduced": "Dy2InGe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6948549739999997,
"spacegroup": 127
},
{
"id": "jvasp-17917",
"created_at": "2022-09-04T14:38:10.433307Z",
"updated_at": "2022-09-04T14:38:10.433335Z",
"structure_string": "Li3 Ca3 Pb3\n1.0\n2.462824 -4.265736 0.000000\n2.462824 4.265736 0.000000\n-0.000000 -0.000000 10.889958\nLi Ca Pb\n3 3 3\ndirect\n0.666666 0.333332 0.806791 Li\n0.333332 0.666666 0.500000 Li\n0.666666 0.333332 0.193209 Li\n0.000000 0.000000 0.333300 Ca\n0.000000 0.000000 0.666700 Ca\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.155924 Pb\n0.333332 0.666666 0.844076 Pb\n0.666666 0.333332 0.500000 Pb\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Pb"
],
"chemical_system": "Ca-Li-Pb",
"density": 5.534709188264382,
"density_atomic": 0.039333170780600814,
"volume": 228.81450494295808,
"volume_molar": 15.310590629957883,
"formula_full": "Li3 Ca3 Pb3",
"formula_reduced": "LiCaPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0328218033333334,
"spacegroup": 187
},
{
"id": "jvasp-66278",
"created_at": "2022-09-04T14:36:17.362249Z",
"updated_at": "2022-09-04T14:36:17.362282Z",
"structure_string": "Ba4 In1 Ru1\n1.0\n0.000000 4.854357 4.854357\n4.854357 -0.000000 4.854357\n4.854357 4.854357 -0.000000\nBa In Ru\n4 1 1\ndirect\n0.123629 0.625458 0.625458 Ba\n0.625458 0.625458 0.625458 Ba\n0.625458 0.123629 0.625458 Ba\n0.625458 0.625458 0.123629 Ba\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"In",
"Ru"
],
"chemical_system": "Ba-In-Ru",
"density": 5.553882104913687,
"density_atomic": 0.02622564138740424,
"volume": 228.7837277787877,
"volume_molar": 22.96279687135636,
"formula_full": "Ba4 In1 Ru1",
"formula_reduced": "Ba4InRu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7024240583333333,
"spacegroup": 216
},
{
"id": "jvasp-119421",
"created_at": "2022-09-04T14:38:51.194387Z",
"updated_at": "2022-09-04T14:38:51.194412Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.783711 -0.003395 1.098002\n0.729989 6.324760 0.434743\n-0.042458 0.014753 7.551388\nLi Mn Co O\n8 2 4 14\ndirect\n0.920231 0.155350 0.632920 Li\n0.644268 0.704040 0.229636 Li\n0.509902 0.998507 0.501563 Li\n0.215708 0.564947 0.075886 Li\n0.060327 0.845442 0.365195 Li\n0.774707 0.436604 0.920296 Li\n0.372761 0.293051 0.772967 Li\n0.715869 0.569217 0.568380 Li\n0.999746 0.001466 0.001132 Mn\n0.146494 0.707850 0.707430 Mn\n0.572202 0.856587 0.856029 Co\n0.284649 0.430303 0.430176 Co\n0.428037 0.142921 0.144029 Co\n0.856291 0.287463 0.287926 Co\n0.449157 0.593043 0.821559 O\n0.249766 0.984505 0.763892 O\n0.974590 0.550864 0.322316 O\n0.829409 0.853764 0.626101 O\n0.535391 0.407552 0.193843 O\n0.371615 0.708200 0.474621 O\n0.107833 0.266570 0.046410 O\n0.680448 0.128071 0.906191 O\n0.603962 0.290387 0.517534 O\n0.319403 0.875107 0.094531 O\n0.179905 0.164124 0.376494 O\n0.891439 0.731210 0.952910 O\n0.751631 0.011931 0.236139 O\n0.054253 0.440907 0.673888 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.537562744417868,
"density_atomic": 0.1223946117479607,
"volume": 228.76824069394974,
"volume_molar": 4.920266238844733,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5537688243842367,
"spacegroup": 1
},
{
"id": "jvasp-66588",
"created_at": "2022-09-04T14:36:09.965373Z",
"updated_at": "2022-09-04T14:36:09.965403Z",
"structure_string": "Ba4 Tl1 Pt1\n1.0\n-0.000000 4.854010 4.854010\n4.854010 -0.000000 4.854010\n4.854010 4.854010 -0.000000\nBa Tl Pt\n4 1 1\ndirect\n0.127259 0.624247 0.624247 Ba\n0.624247 0.624247 0.624247 Ba\n0.624247 0.127259 0.624247 Ba\n0.624247 0.624247 0.127259 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Tl",
"Pt"
],
"chemical_system": "Ba-Pt-Tl",
"density": 6.887799104262662,
"density_atomic": 0.026231266189247985,
"volume": 228.73466940987234,
"volume_molar": 22.95787293130529,
"formula_full": "Ba4 Tl1 Pt1",
"formula_reduced": "Ba4TlPt",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2529046466666667,
"spacegroup": 216
},
{
"id": "jvasp-48307",
"created_at": "2022-09-04T14:36:54.793863Z",
"updated_at": "2022-09-04T14:36:54.793888Z",
"structure_string": "Li2 Fe1 P4 O12\n1.0\n-5.137428 -0.176338 0.203737\n2.644428 6.774678 -0.350405\n-0.774804 -2.791878 -6.528800\nLi Fe P O\n2 1 4 12\ndirect\n0.942143 0.275908 0.437948 Li\n0.057856 0.724091 0.562051 Li\n0.000000 0.000000 0.000000 Fe\n0.550472 0.205758 0.788538 P\n0.438071 0.578106 0.769932 P\n0.561928 0.421893 0.230067 P\n0.449527 0.794241 0.211461 P\n0.300302 0.011987 0.806065 O\n0.590335 0.659175 0.269783 O\n0.749894 0.727459 0.792958 O\n0.247933 0.561716 0.614697 O\n0.752066 0.438283 0.385302 O\n0.699697 0.988012 0.193934 O\n0.409664 0.340824 0.730215 O\n0.307740 0.640832 0.986640 O\n0.692259 0.359167 0.013358 O\n0.774443 0.170464 0.654647 O\n0.250105 0.272540 0.207041 O\n0.225556 0.829535 0.345351 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.7994964040923667,
"density_atomic": 0.08306740998710174,
"volume": 228.72989543011172,
"volume_molar": 7.2497032963169135,
"formula_full": "Li2 Fe1 P4 O12",
"formula_reduced": "Li2Fe(PO3)4",
"formula_anonymous": "AB2C4D12",
"energy_above_hull": 2.9157257631578943,
"spacegroup": 2
},
{
"id": "jvasp-64027",
"created_at": "2022-09-04T14:36:05.642052Z",
"updated_at": "2022-09-04T14:36:05.642076Z",
"structure_string": "Ba4 Ni1 Se1\n1.0\n-0.000000 4.853848 4.853848\n4.853848 -0.000000 4.853848\n4.853848 4.853848 -0.000000\nBa Ni Se\n4 1 1\ndirect\n0.123797 0.625401 0.625401 Ba\n0.625401 0.625401 0.625401 Ba\n0.625401 0.123797 0.625401 Ba\n0.625401 0.625401 0.123797 Ba\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"Se"
],
"chemical_system": "Ba-Ni-Se",
"density": 4.987614977244079,
"density_atomic": 0.026233892728203836,
"volume": 228.71176848068188,
"volume_molar": 22.95557438765329,
"formula_full": "Ba4 Ni1 Se1",
"formula_reduced": "Ba4NiSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3323882744444444,
"spacegroup": 216
}
]
}