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=-energy_above_hull&page=1014",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1012",
"results": [
{
"id": "jvasp-44478",
"created_at": "2022-09-04T14:36:50.954509Z",
"updated_at": "2022-09-04T14:36:50.954526Z",
"structure_string": "Li4 Mn6 Sn2 O16\n1.0\n5.760442 0.000070 0.000594\n-2.880159 4.988583 -0.001188\n-0.001033 0.001790 9.715216\nLi Mn Sn O\n4 6 2 16\ndirect\n0.333307 0.666651 0.897913 Li\n0.999943 -0.000010 0.994328 Li\n0.000057 0.000047 0.494328 Li\n0.666693 0.333345 0.397912 Li\n0.830096 0.660219 0.714960 Mn\n0.339791 0.169903 0.714973 Mn\n0.830101 0.169899 0.714968 Mn\n0.169899 0.339797 0.214968 Mn\n0.169904 0.830124 0.214960 Mn\n0.660208 0.830112 0.214973 Mn\n0.333341 0.666686 0.491782 Sn\n0.666659 0.333346 0.991782 Sn\n0.313303 0.156667 0.102562 O\n0.843325 0.686678 0.102579 O\n0.666660 0.333334 0.608041 O\n0.514606 0.029210 0.832676 O\n0.514599 0.485412 0.832668 O\n0.686697 0.843364 0.602562 O\n0.485394 0.514605 0.332676 O\n0.029212 0.514618 0.332672 O\n0.156676 0.313355 0.602582 O\n-0.000011 -0.000003 0.811215 O\n0.000011 0.000008 0.311215 O\n0.333340 0.666675 0.108041 O\n0.970787 0.485405 0.832671 O\n0.156674 0.843351 0.602579 O\n0.485401 0.970813 0.332667 O\n0.843324 0.156679 0.102582 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Sn",
"O"
],
"chemical_system": "Li-Mn-O-Sn",
"density": 5.060453100163457,
"density_atomic": 0.10029273943094653,
"volume": 279.18272208805837,
"volume_molar": 6.004563036336602,
"formula_full": "Li4 Mn6 Sn2 O16",
"formula_reduced": "Li2Mn3SnO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.844359387438424,
"spacegroup": 186
},
{
"id": "jvasp-37090",
"created_at": "2022-09-04T14:38:09.742998Z",
"updated_at": "2022-09-04T14:38:09.743018Z",
"structure_string": "Fe3 Ni1\n1.0\n3.569624 -0.000000 0.000000\n-0.000000 3.569624 0.000000\n0.000000 0.000000 3.569624\nFe Ni\n3 1\ndirect\n0.000000 0.499999 0.499999 Fe\n0.499999 0.499999 0.000000 Fe\n0.499999 0.000000 0.499999 Fe\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Ni"
],
"chemical_system": "Fe-Ni",
"density": 8.259025419595377,
"density_atomic": 0.08794123750052507,
"volume": 45.4849182668838,
"volume_molar": 6.847914506506737,
"formula_full": "Fe3 Ni1",
"formula_reduced": "Fe3Ni",
"formula_anonymous": "AB3",
"energy_above_hull": 2.844319725,
"spacegroup": 221
},
{
"id": "jvasp-74228",
"created_at": "2022-09-04T14:35:53.365568Z",
"updated_at": "2022-09-04T14:35:53.365582Z",
"structure_string": "Hf1 Be2 Pt1\n1.0\n2.896501 -0.000000 -0.000000\n-0.000000 2.896501 -0.000000\n0.000000 0.000000 6.328438\nHf Be Pt\n1 2 1\ndirect\n0.000000 0.000000 0.481106 Hf\n0.000000 0.000000 0.016776 Be\n0.500000 0.500000 0.193191 Be\n0.500000 0.500000 0.808927 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Pt"
],
"chemical_system": "Be-Hf-Pt",
"density": 12.247461164499882,
"density_atomic": 0.07533834856443912,
"volume": 53.09381047261318,
"volume_molar": 7.993460003770967,
"formula_full": "Hf1 Be2 Pt1",
"formula_reduced": "HfBe2Pt",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.84426165,
"spacegroup": 99
},
{
"id": "jvasp-74424",
"created_at": "2022-09-04T14:35:44.412538Z",
"updated_at": "2022-09-04T14:35:44.412565Z",
"structure_string": "Hf1 Be2 Pt1\n1.0\n2.897052 -0.000000 -0.000000\n0.000000 2.897052 -0.000000\n-0.000000 -0.000000 6.326614\nHf Be Pt\n1 2 1\ndirect\n0.000000 0.000000 0.481107 Hf\n0.000000 0.000000 0.016749 Be\n0.500000 0.500000 0.193206 Be\n0.500000 0.500000 0.808937 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Pt"
],
"chemical_system": "Be-Hf-Pt",
"density": 12.2463325084223,
"density_atomic": 0.07533140581248096,
"volume": 53.098703745912,
"volume_molar": 7.994196703285533,
"formula_full": "Hf1 Be2 Pt1",
"formula_reduced": "HfBe2Pt",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.84425665,
"spacegroup": 99
},
{
"id": "jvasp-65082",
"created_at": "2022-09-04T14:36:08.007630Z",
"updated_at": "2022-09-04T14:36:08.007640Z",
"structure_string": "Be1 Te1 P4\n1.0\n0.000000 4.130789 4.130789\n4.130789 0.000000 4.130789\n4.130789 4.130789 -0.000000\nBe Te P\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Te\n0.037378 0.654208 0.654208 P\n0.654208 0.654208 0.654208 P\n0.654208 0.037378 0.654208 P\n0.654208 0.654208 0.037378 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Te",
"P"
],
"chemical_system": "Be-P-Te",
"density": 3.0685969373498176,
"density_atomic": 0.04256201879420766,
"volume": 140.97075679165272,
"volume_molar": 14.14909567405098,
"formula_full": "Be1 Te1 P4",
"formula_reduced": "BeTeP4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.844184311111112,
"spacegroup": 216
},
{
"id": "jvasp-101427",
"created_at": "2022-09-04T14:37:01.932368Z",
"updated_at": "2022-09-04T14:37:01.932393Z",
"structure_string": "Yb1 U2 S3 O2\n1.0\n3.707683 -0.029340 -9.983777\n-0.147213 3.704875 -9.983777\n0.028422 0.029340 10.649972\nYb U S O\n1 2 3 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.316241 0.316240 -0.000001 U\n0.683759 0.683759 -0.000001 U\n0.132492 0.132492 -0.000000 S\n0.867508 0.867507 -0.000001 S\n0.500000 0.499999 -0.000001 S\n0.749999 0.250000 0.499999 O\n0.250000 0.749999 0.499999 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Yb",
"U",
"S",
"O"
],
"chemical_system": "O-S-U-Yb",
"density": 8.695475587702234,
"density_atomic": 0.05389521938485115,
"volume": 148.43617098715507,
"volume_molar": 11.17379394450095,
"formula_full": "Yb1 U2 S3 O2",
"formula_reduced": "YbU2S3O2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 2.8439549625,
"spacegroup": 139
},
{
"id": "jvasp-30343",
"created_at": "2022-09-04T14:37:12.201066Z",
"updated_at": "2022-09-04T14:37:12.201089Z",
"structure_string": "Fe1 Co1 O4\n1.0\n1.408827 0.813387 4.354238\n-2.829089 1.629215 8.709901\n-1.416347 -0.817728 8.709901\nFe Co O\n1 1 4\ndirect\n0.500000 0.000000 0.500000 Fe\n0.499999 0.500000 0.500001 Co\n0.241698 0.499999 0.235373 O\n0.758301 0.500000 0.764629 O\n0.233214 0.000000 0.239617 O\n0.766786 0.000000 0.760382 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-O",
"density": 4.934974253342167,
"density_atomic": 0.09974205829443315,
"volume": 60.15516525925628,
"volume_molar": 6.03771454387172,
"formula_full": "Fe1 Co1 O4",
"formula_reduced": "FeCoO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.843906733333333,
"spacegroup": 10
},
{
"id": "jvasp-52241",
"created_at": "2022-09-04T14:37:03.848658Z",
"updated_at": "2022-09-04T14:37:03.848680Z",
"structure_string": "Li3 Ti4 O8\n1.0\n-1.654697 5.536319 0.000000\n-4.974166 -1.486681 2.475312\n-1.588607 2.540634 5.019694\nLi Ti O\n3 4 8\ndirect\n0.500001 0.500001 0.499999 Li\n0.000000 0.500001 0.499999 Li\n0.000000 0.500000 -0.000000 Li\n0.500001 0.500001 -0.000000 Ti\n0.500000 0.000001 0.499999 Ti\n0.000000 0.000000 0.499999 Ti\n0.000000 0.000000 0.000000 Ti\n0.758223 0.749039 0.992954 O\n0.248821 0.749039 0.992954 O\n0.750165 0.742973 0.499671 O\n0.243139 0.767966 0.513723 O\n0.756862 0.232036 0.486275 O\n0.249837 0.257030 0.500327 O\n0.751180 0.250963 0.007043 O\n0.241778 0.250963 0.007043 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 4.058763480526378,
"density_atomic": 0.10774362139747726,
"volume": 139.21937842300161,
"volume_molar": 5.589324622553484,
"formula_full": "Li3 Ti4 O8",
"formula_reduced": "Li3Ti4O8",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.843843422222222,
"spacegroup": 12
},
{
"id": "jvasp-12303",
"created_at": "2022-09-04T14:38:14.634066Z",
"updated_at": "2022-09-04T14:38:14.634093Z",
"structure_string": "Rb1 Ca2 Nb3 O10\n1.0\n3.956432 -0.000000 0.000000\n-0.000000 3.956432 -0.000000\n-0.000000 0.000000 15.162358\nRb Ca Nb O\n1 2 3 10\ndirect\n0.500000 0.500000 0.500000 Rb\n0.500000 0.500000 0.849829 Ca\n0.500000 0.500000 0.150171 Ca\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.282734 Nb\n0.000000 0.000000 0.717266 Nb\n0.000000 0.000000 0.598143 O\n0.000000 0.000000 0.401858 O\n0.500000 0.000000 0.746338 O\n0.000000 0.500000 0.746338 O\n0.500000 0.000000 0.253662 O\n0.000000 0.500000 0.253662 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.130420 O\n0.000000 0.000000 0.869580 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"Ca",
"Nb",
"O"
],
"chemical_system": "Ca-Nb-O-Rb",
"density": 4.228185966741769,
"density_atomic": 0.06741333683153636,
"volume": 237.34175983579416,
"volume_molar": 8.933159287232918,
"formula_full": "Rb1 Ca2 Nb3 O10",
"formula_reduced": "RbCa2Nb3O10",
"formula_anonymous": "AB2C3D10",
"energy_above_hull": 2.8437615025,
"spacegroup": 123
},
{
"id": "jvasp-44625",
"created_at": "2022-09-04T14:38:15.487266Z",
"updated_at": "2022-09-04T14:38:15.487281Z",
"structure_string": "Li5 V2 Fe3 O10\n1.0\n4.955512 -0.019132 0.061825\n-0.854495 4.989562 -0.014160\n-2.363742 -2.051499 6.827190\nLi V Fe O\n5 2 3 10\ndirect\n0.194393 0.493117 0.409213 Li\n0.375800 0.486599 0.784624 Li\n0.000000 -0.000000 0.500000 Li\n0.624200 0.513401 0.215375 Li\n0.805607 0.506883 0.590787 Li\n0.573946 0.995353 0.696558 V\n0.426055 0.004646 0.303441 V\n0.202478 0.999475 0.893558 Fe\n0.797523 0.000524 0.106441 Fe\n0.000000 0.500000 -0.000000 Fe\n0.404935 0.765705 0.044375 O\n0.811592 0.780805 0.857976 O\n0.595066 0.234294 0.955624 O\n0.414103 0.236062 0.549650 O\n0.008414 0.769380 0.244827 O\n0.208144 0.758227 0.656479 O\n0.791857 0.241772 0.343520 O\n0.991587 0.230619 0.755172 O\n0.585898 0.763938 0.450349 O\n0.188408 0.219194 0.142023 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-V",
"density": 4.549781913259832,
"density_atomic": 0.11807120669323243,
"volume": 169.3893080297142,
"volume_molar": 5.100431280969686,
"formula_full": "Li5 V2 Fe3 O10",
"formula_reduced": "Li5V2Fe3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.843747495,
"spacegroup": 2
},
{
"id": "jvasp-112672",
"created_at": "2022-09-04T14:38:41.697403Z",
"updated_at": "2022-09-04T14:38:41.697430Z",
"structure_string": "La3 Si7 Ni3\n1.0\n13.288338 -0.007329 0.000000\n-12.636243 4.111611 0.000000\n0.000000 0.000000 4.240083\nLa Si Ni\n3 7 3\ndirect\n0.000680 0.999320 -0.000000 La\n0.686129 0.313871 0.500000 La\n0.318468 0.681532 0.500000 La\n0.593603 0.406397 -0.000000 Si\n0.408778 0.591222 -0.000000 Si\n0.776955 0.223044 -0.000000 Si\n0.224471 0.775529 -0.000000 Si\n0.908637 0.091363 0.500000 Si\n0.094202 0.905798 0.500000 Si\n0.538020 0.461980 0.500000 Si\n0.866498 0.133502 -0.000000 Ni\n0.132631 0.867369 -0.000000 Ni\n0.450930 0.549070 0.500000 Ni\n",
"nsites": 13,
"nelements": 3,
"elements": [
"La",
"Si",
"Ni"
],
"chemical_system": "La-Ni-Si",
"density": 5.667914064029326,
"density_atomic": 0.05621122889556922,
"volume": 231.27051757135146,
"volume_molar": 10.71341238809794,
"formula_full": "La3 Si7 Ni3",
"formula_reduced": "La3Si7Ni3",
"formula_anonymous": "A3B3C7",
"energy_above_hull": 2.843710953846154,
"spacegroup": 38
},
{
"id": "jvasp-52194",
"created_at": "2022-09-04T14:38:35.473444Z",
"updated_at": "2022-09-04T14:38:35.473476Z",
"structure_string": "Li3 Ti4 O8\n1.0\n5.901984 0.001968 0.000288\n2.949337 5.112168 0.000370\n2.950263 1.704386 4.876418\nLi Ti O\n3 4 8\ndirect\n-0.000000 0.000000 0.500000 Li\n0.499999 0.500001 0.500000 Li\n-0.000000 0.500001 0.500000 Li\n0.500000 0.500000 0.000000 Ti\n0.499999 0.000000 0.500000 Ti\n0.499999 0.000000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.262088 0.223611 0.752205 O\n0.254722 0.754734 0.235824 O\n0.737893 0.237906 0.247814 O\n0.723608 0.762089 0.752194 O\n0.276390 0.237912 0.247807 O\n0.262105 0.762095 0.752187 O\n0.745276 0.245267 0.764177 O\n0.737911 0.776390 0.247796 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 3.8414258164008968,
"density_atomic": 0.10197419257727142,
"volume": 147.09604087949685,
"volume_molar": 5.905553756100295,
"formula_full": "Li3 Ti4 O8",
"formula_reduced": "Li3Ti4O8",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.843661422222222,
"spacegroup": 166
}
]
}