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=1282",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1280",
"results": [
{
"id": "jvasp-98550",
"created_at": "2022-09-04T14:35:40.918655Z",
"updated_at": "2022-09-04T14:35:40.918677Z",
"structure_string": "Ba4 Ce1 Mn3 O12\n1.0\n5.587071 -0.006444 8.473582\n2.537319 4.977691 8.473582\n-0.010531 -0.006444 10.149721\nBa Ce Mn O\n4 1 3 12\ndirect\n0.282644 0.282644 0.282643 Ba\n0.131081 0.131081 0.131081 Ba\n0.717356 0.717357 0.717356 Ba\n0.868919 0.868920 0.868918 Ba\n0.000000 0.000000 0.000000 Ce\n0.414047 0.414047 0.414046 Mn\n0.585953 0.585954 0.585953 Mn\n0.500000 0.500001 0.499999 Mn\n0.776834 0.311231 0.776834 O\n0.605808 0.605809 0.163399 O\n0.163399 0.605809 0.605808 O\n0.394191 0.394192 0.836600 O\n0.836601 0.394192 0.394191 O\n0.223165 0.223166 0.688769 O\n0.394191 0.836601 0.394191 O\n0.311230 0.776835 0.776834 O\n0.605808 0.163400 0.605808 O\n0.776835 0.776835 0.311230 O\n0.688770 0.223166 0.223165 O\n0.223165 0.688770 0.223165 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Ce",
"Mn",
"O"
],
"chemical_system": "Ba-Ce-Mn-O",
"density": 6.137849383357279,
"density_atomic": 0.07065933863450587,
"volume": 283.04821961966644,
"volume_molar": 8.522781102085125,
"formula_full": "Ba4 Ce1 Mn3 O12",
"formula_reduced": "Ba4CeMn3O12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.569905655206896,
"spacegroup": 166
},
{
"id": "jvasp-113192",
"created_at": "2022-09-04T14:38:46.877920Z",
"updated_at": "2022-09-04T14:38:46.877944Z",
"structure_string": "Ba4 Ce1 Mn3 O12\n1.0\n5.572066 -0.017523 8.482943\n2.523825 4.967750 8.482943\n-0.028658 -0.017523 10.149258\nBa Ce Mn O\n4 1 3 12\ndirect\n0.282652 0.282652 0.282652 Ba\n0.131081 0.131081 0.131080 Ba\n0.717348 0.717349 0.717347 Ba\n0.868920 0.868920 0.868918 Ba\n0.000000 0.000000 0.000000 Ce\n0.414049 0.414049 0.414048 Mn\n0.585952 0.585952 0.585950 Mn\n0.500000 0.500001 0.499999 Mn\n0.311238 0.776835 0.776833 O\n0.605807 0.605807 0.163399 O\n0.605807 0.163401 0.605806 O\n0.394193 0.394194 0.836599 O\n0.394194 0.836600 0.394192 O\n0.223166 0.223167 0.688762 O\n0.836600 0.394194 0.394192 O\n0.776834 0.311238 0.776833 O\n0.163401 0.605807 0.605806 O\n0.776835 0.776835 0.311236 O\n0.223167 0.688763 0.223165 O\n0.688763 0.223167 0.223165 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Ce",
"Mn",
"O"
],
"chemical_system": "Ba-Ce-Mn-O",
"density": 6.137772470773518,
"density_atomic": 0.07065845321162209,
"volume": 283.0517665041434,
"volume_molar": 8.522887901273025,
"formula_full": "Ba4 Ce1 Mn3 O12",
"formula_reduced": "Ba4CeMn3O12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.569905655206896,
"spacegroup": 166
},
{
"id": "jvasp-117402",
"created_at": "2022-09-04T14:38:26.534336Z",
"updated_at": "2022-09-04T14:38:26.534371Z",
"structure_string": "Na2 Mn4 O8\n1.0\n5.951856 -0.001168 0.000950\n-2.975589 4.203129 2.975921\n-0.001006 -0.000119 5.952607\nNa Mn O\n2 4 8\ndirect\n0.000027 0.000043 -0.000019 Na\n0.749977 0.499961 0.750017 Na\n0.374998 0.249999 0.375003 Mn\n0.875001 0.249996 0.375002 Mn\n0.375002 0.750001 0.374998 Mn\n0.375001 0.750002 0.875001 Mn\n0.144512 0.289026 0.145018 O\n0.605484 0.210971 0.184042 O\n0.565965 0.710969 0.144517 O\n0.144998 0.710966 0.144516 O\n0.605486 0.210970 0.604986 O\n0.144515 0.289026 0.565956 O\n0.605001 0.789037 0.605483 O\n0.184032 0.789030 0.605484 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 4.39102620757368,
"density_atomic": 0.09402641102668916,
"volume": 148.8943356141301,
"volume_molar": 6.40473319596409,
"formula_full": "Na2 Mn4 O8",
"formula_reduced": "NaMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.569856783251231,
"spacegroup": 227
},
{
"id": "jvasp-117292",
"created_at": "2022-09-04T14:38:26.249545Z",
"updated_at": "2022-09-04T14:38:26.249568Z",
"structure_string": "Li6 Co6 Ni2 O16\n1.0\n5.609169 0.000124 -0.000218\n2.804581 4.857809 0.000291\n0.000405 -0.000640 9.072579\nLi Co Ni O\n6 6 2 16\ndirect\n0.168939 0.169030 0.447377 Li\n0.168967 0.661983 0.447372 Li\n0.661803 0.169103 0.447364 Li\n0.338165 0.830924 0.947364 Li\n0.831028 0.337978 0.947376 Li\n0.830992 0.830968 0.947374 Li\n0.831471 0.831526 0.214268 Co\n0.336958 0.831528 0.214266 Co\n0.831471 0.337016 0.214269 Co\n0.168489 0.663027 0.714267 Co\n0.168489 0.168518 0.714269 Co\n0.663004 0.168515 0.714265 Co\n0.333319 0.333353 0.991852 Ni\n0.666639 0.666692 0.491854 Ni\n0.314782 0.842628 0.594140 O\n0.842580 0.314831 0.594137 O\n0.516741 0.966456 0.340640 O\n0.666641 0.666692 0.103118 O\n0.516743 0.516810 0.340631 O\n0.685179 0.157420 0.094140 O\n0.483222 0.483229 0.840631 O\n-0.000043 0.000025 0.320607 O\n0.333319 0.333359 0.603118 O\n0.000003 0.000011 0.820607 O\n0.157381 0.685214 0.094136 O\n0.033556 0.483236 0.840635 O\n0.157380 0.157422 0.094139 O\n0.966405 0.516800 0.340634 O\n0.483216 0.033589 0.840642 O\n0.842580 0.842625 0.594139 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Ni-O",
"density": 5.162950226775209,
"density_atomic": 0.12135483259455081,
"volume": 247.20894387643108,
"volume_molar": 4.9624235238493615,
"formula_full": "Li6 Co6 Ni2 O16",
"formula_reduced": "Li3Co3NiO8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 2.56973954,
"spacegroup": 186
},
{
"id": "jvasp-85215",
"created_at": "2022-09-04T14:37:07.297087Z",
"updated_at": "2022-09-04T14:37:07.297112Z",
"structure_string": "Eu1 Co2 As2\n1.0\n3.819204 -0.000015 -1.235063\n-0.399497 3.798175 -1.235242\n-0.235459 -0.261122 5.794486\nEu Co As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.249993 0.749953 0.500000 Co\n0.750005 0.250045 0.500001 Co\n0.367561 0.367502 0.735119 As\n0.632437 0.632496 0.264882 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Eu",
"Co",
"As"
],
"chemical_system": "As-Co-Eu",
"density": 8.541343582247766,
"density_atomic": 0.06128235678303497,
"volume": 81.58955142182405,
"volume_molar": 9.826875264149653,
"formula_full": "Eu1 Co2 As2",
"formula_reduced": "Eu(CoAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.56961106,
"spacegroup": 139
},
{
"id": "jvasp-110288",
"created_at": "2022-09-04T14:38:18.681135Z",
"updated_at": "2022-09-04T14:38:18.681167Z",
"structure_string": "As1 Rh1 O4\n1.0\n4.504987 -0.000708 0.000000\n-0.112561 4.503581 0.000000\n-0.000000 -0.000000 3.059556\nAs Rh O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500001 Rh\n0.186239 0.813761 0.500001 O\n0.813762 0.186238 0.500001 O\n0.294895 0.294895 -0.000000 O\n0.705106 0.705105 -0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"As",
"Rh",
"O"
],
"chemical_system": "As-O-Rh",
"density": 6.469065286364106,
"density_atomic": 0.09665916282392313,
"volume": 62.073784054283166,
"volume_molar": 6.230284418012279,
"formula_full": "As1 Rh1 O4",
"formula_reduced": "AsRhO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.569591458333334,
"spacegroup": 65
},
{
"id": "jvasp-24378",
"created_at": "2022-09-04T14:37:52.942882Z",
"updated_at": "2022-09-04T14:37:52.942903Z",
"structure_string": "Ta4 S9 Br8\n1.0\n6.499067 0.000000 2.507834\n3.249533 9.065564 1.253917\n-0.014100 0.000000 9.711644\nTa S Br\n4 9 8\ndirect\n0.116778 0.816241 0.816241 Ta\n0.933019 0.183759 0.816240 Ta\n0.749260 0.183759 0.183759 Ta\n0.933019 0.816241 0.183759 Ta\n0.314231 -0.000000 0.729835 S\n0.731625 -0.000000 0.395681 S\n0.044068 0.270164 0.000000 S\n0.820757 -0.000000 -0.000000 S\n0.314231 0.729836 0.000000 S\n0.127305 0.604318 0.000000 S\n0.127305 -0.000000 0.604318 S\n0.731625 0.395681 -0.000000 S\n0.044068 -0.000000 0.270164 S\n0.586429 0.234328 0.765671 Br\n0.352100 0.234328 0.234328 Br\n0.820757 0.765671 0.765671 Br\n0.440095 0.638665 0.638665 Br\n0.586429 0.765671 0.234328 Br\n0.078760 0.361335 0.638665 Br\n0.717425 0.361335 0.361335 Br\n0.078760 0.638665 0.361335 Br\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Ta",
"S",
"Br"
],
"chemical_system": "Br-S-Ta",
"density": 4.790428632887885,
"density_atomic": 0.03668068667368271,
"volume": 572.5083662369622,
"volume_molar": 16.417742703602944,
"formula_full": "Ta4 S9 Br8",
"formula_reduced": "Ta4S9Br8",
"formula_anonymous": "A4B8C9",
"energy_above_hull": 2.569584744761905,
"spacegroup": 107
},
{
"id": "jvasp-111780",
"created_at": "2022-09-04T14:38:52.913558Z",
"updated_at": "2022-09-04T14:38:52.913594Z",
"structure_string": "Sr4 Zr3 Ti1 O12\n1.0\n5.762668 0.002107 0.003230\n0.003942 5.773380 0.002559\n0.001000 0.003594 8.173257\nSr Zr Ti O\n4 3 1 12\ndirect\n0.503347 0.024836 0.757614 Sr\n0.997074 0.521774 0.758053 Sr\n0.496653 0.975164 0.242387 Sr\n0.002926 0.478226 0.241947 Sr\n-0.000000 -0.000000 0.500000 Zr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Ti\n0.202912 0.702463 0.464673 O\n0.276405 0.237619 0.030386 O\n0.238307 0.723550 0.032275 O\n0.297768 0.202947 0.467452 O\n0.797088 0.297537 0.535328 O\n0.066473 0.984187 0.751088 O\n0.933527 0.015813 0.248913 O\n0.560363 0.509924 0.241084 O\n0.702232 0.797052 0.532549 O\n0.439637 0.490076 0.758916 O\n0.723595 0.762381 0.969614 O\n0.761693 0.276450 0.967725 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Zr",
"Ti",
"O"
],
"chemical_system": "O-Sr-Ti-Zr",
"density": 5.276185983580244,
"density_atomic": 0.0735497702231374,
"volume": 271.92471083626,
"volume_molar": 8.187844423891274,
"formula_full": "Sr4 Zr3 Ti1 O12",
"formula_reduced": "Sr4Zr3TiO12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.569561453666667,
"spacegroup": 2
},
{
"id": "jvasp-74837",
"created_at": "2022-09-04T14:35:53.564578Z",
"updated_at": "2022-09-04T14:35:53.564607Z",
"structure_string": "Ta1 Be1 Tl1\n1.0\n1.509011 -2.613684 -0.000000\n1.509011 2.613684 0.000000\n0.000000 0.000000 6.900311\nTa Be Tl\n1 1 1\ndirect\n0.333333 0.666666 0.697256 Ta\n0.000000 0.000000 0.987178 Be\n0.666666 0.333333 0.315566 Tl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Tl"
],
"chemical_system": "Be-Ta-Tl",
"density": 12.030383909757683,
"density_atomic": 0.05511592609978049,
"volume": 54.43072832648907,
"volume_molar": 10.926316921714545,
"formula_full": "Ta1 Be1 Tl1",
"formula_reduced": "TaBeTl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.569455966666666,
"spacegroup": 156
},
{
"id": "jvasp-75582",
"created_at": "2022-09-04T14:35:42.788075Z",
"updated_at": "2022-09-04T14:35:42.788114Z",
"structure_string": "La1 B1 As1\n1.0\n0.000000 3.174186 3.174186\n3.174186 0.000000 3.174186\n3.174186 3.174186 -0.000000\nLa B As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.750001 0.750001 0.750001 B\n0.500001 0.500001 0.500001 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"La",
"B",
"As"
],
"chemical_system": "As-B-La",
"density": 5.8318365780644745,
"density_atomic": 0.04690230036416947,
"volume": 63.962747598875104,
"volume_molar": 12.839755647892597,
"formula_full": "La1 B1 As1",
"formula_reduced": "LaBAs",
"formula_anonymous": "ABC",
"energy_above_hull": 2.569426444444445,
"spacegroup": 216
},
{
"id": "jvasp-112386",
"created_at": "2022-09-04T14:38:40.009144Z",
"updated_at": "2022-09-04T14:38:40.009171Z",
"structure_string": "Na2 Cr4 S8\n1.0\n6.324016 -0.000000 3.651172\n2.108005 5.962339 3.651172\n-0.000000 -0.000000 7.302345\nNa Cr S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Na\n0.625001 0.625000 0.624999 Cr\n0.125001 0.625000 0.624999 Cr\n0.625000 0.125000 0.624999 Cr\n0.625001 0.625000 0.124999 Cr\n0.857067 0.857066 0.857064 S\n0.821200 0.392934 0.392933 S\n0.392934 0.392934 0.821198 S\n0.392935 0.821199 0.392933 S\n0.857067 0.857066 0.428799 S\n0.857067 0.428801 0.857065 S\n0.392934 0.392934 0.392933 S\n0.428802 0.857066 0.857065 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Cr",
"S"
],
"chemical_system": "Cr-Na-S",
"density": 3.0786421239126227,
"density_atomic": 0.050845914545327345,
"volume": 275.3416892033576,
"volume_molar": 11.843902924848512,
"formula_full": "Na2 Cr4 S8",
"formula_reduced": "Na(CrS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.5693534,
"spacegroup": 227
},
{
"id": "jvasp-10811",
"created_at": "2022-09-04T14:37:10.720776Z",
"updated_at": "2022-09-04T14:37:10.720801Z",
"structure_string": "Ca2 Cr4 S8\n1.0\n6.586364 0.000000 -3.457926\n-1.815455 6.331219 -3.457926\n-0.299624 -0.397615 7.430839\nCa Cr S\n2 4 8\ndirect\n0.375001 0.625000 0.750000 Ca\n0.625000 0.375000 0.249999 Ca\n0.000000 -0.000000 0.500000 Cr\n0.000000 0.500000 -0.000000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.769276 0.806995 0.538552 S\n0.768443 0.230723 0.961446 S\n0.193006 0.230723 0.961447 S\n0.230724 0.193005 0.461447 S\n0.230725 0.768442 0.461447 S\n0.231558 0.769276 0.038553 S\n0.769276 0.231557 0.538552 S\n0.806995 0.769276 0.038552 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"S"
],
"chemical_system": "Ca-Cr-S",
"density": 3.0999915991577653,
"density_atomic": 0.04798590108617376,
"volume": 291.75236232114514,
"volume_molar": 12.549812806860402,
"formula_full": "Ca2 Cr4 S8",
"formula_reduced": "Ca(CrS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.569307888571429,
"spacegroup": 227
}
]
}