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=created_at&page=3493",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=3491",
"results": [
{
"id": "jvasp-18052",
"created_at": "2022-09-04T14:38:10.674472Z",
"updated_at": "2022-09-04T14:38:10.674509Z",
"structure_string": "Dy4 In2\n1.0\n2.676575 -4.635963 0.000000\n2.676575 4.635963 -0.000000\n0.000000 0.000000 6.661293\nDy In\n4 2\ndirect\n0.333332 0.666666 0.250000 Dy\n0.666666 0.333332 0.750000 Dy\n0.000000 0.000000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.666666 0.333332 0.250000 In\n0.333332 0.666666 0.750000 In\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Dy",
"In"
],
"chemical_system": "Dy-In",
"density": 8.8357655096173,
"density_atomic": 0.03629471074830282,
"volume": 165.31334390867315,
"volume_molar": 16.59233710873864,
"formula_full": "Dy4 In2",
"formula_reduced": "Dy2In",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6210836111111109,
"spacegroup": 194
},
{
"id": "jvasp-44662",
"created_at": "2022-09-04T14:38:10.674527Z",
"updated_at": "2022-09-04T14:38:10.674551Z",
"structure_string": "Li4 Mn6 O12\n1.0\n4.894418 0.025044 -0.000000\n2.456448 4.269128 -0.000000\n0.000000 0.000000 9.992312\nLi Mn O\n4 6 12\ndirect\n0.500000 0.157971 0.750000 Li\n0.500001 0.342028 0.250000 Li\n0.500001 0.657972 0.750000 Li\n0.500001 0.842028 0.250000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.324937 0.337531 0.000000 Mn\n0.324937 0.837531 0.500000 Mn\n0.675064 0.162469 0.500000 Mn\n0.675065 0.662469 0.000000 Mn\n0.661408 0.335138 0.893079 O\n0.661408 0.003453 0.106921 O\n0.338593 0.664861 0.106921 O\n0.338593 0.496546 0.606921 O\n0.338593 0.164861 0.393080 O\n0.000000 0.168526 0.603493 O\n0.338593 -0.003454 0.893079 O\n0.000000 0.668526 0.896507 O\n0.000000 0.331474 0.103492 O\n0.661408 0.503453 0.393080 O\n0.000000 0.831474 0.396507 O\n0.661408 0.835138 0.606921 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.382281566991468,
"density_atomic": 0.1056810229700842,
"volume": 208.17360943059455,
"volume_molar": 5.698412629583201,
"formula_full": "Li4 Mn6 O12",
"formula_reduced": "Li2Mn3O6",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.966077520376175,
"spacegroup": 64
},
{
"id": "jvasp-12698",
"created_at": "2022-09-04T14:38:10.675141Z",
"updated_at": "2022-09-04T14:38:10.675162Z",
"structure_string": "Ca2 Mn1 P2 H4 O10\n1.0\n5.539257 0.002776 -0.012297\n-1.870724 5.473976 0.002277\n-1.440320 -0.503689 6.404792\nCa Mn P H O\n2 1 2 4 10\ndirect\n0.331552 0.600754 0.233166 Ca\n0.668450 0.399248 0.766834 Ca\n0.000000 0.000000 0.000000 Mn\n0.351278 0.753173 0.766556 P\n0.648723 0.246828 0.233444 P\n0.808950 0.065918 0.562961 H\n0.191052 0.934084 0.437039 H\n0.084395 0.280503 0.658056 H\n0.915607 0.719498 0.341944 H\n0.697521 0.459298 0.400523 O\n0.383940 0.998244 0.669684 O\n0.616062 0.001757 0.330316 O\n0.121010 0.692058 0.881016 O\n0.932925 0.154516 0.698770 O\n0.604104 0.754605 0.931522 O\n0.395898 0.245396 0.068478 O\n0.302480 0.540703 0.599477 O\n0.878991 0.307943 0.118984 O\n0.067077 0.845485 0.301230 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Ca",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "Ca-H-Mn-O-P",
"density": 3.088389317251133,
"density_atomic": 0.09786972133811776,
"volume": 194.1356298988458,
"volume_molar": 6.153221525169021,
"formula_full": "Ca2 Mn1 P2 H4 O10",
"formula_reduced": "Ca2MnP2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 2.785262320072595,
"spacegroup": 2
},
{
"id": "jvasp-46461",
"created_at": "2022-09-04T14:38:10.678215Z",
"updated_at": "2022-09-04T14:38:10.678234Z",
"structure_string": "Li4 Cr2 Fe2 O8\n1.0\n-2.867713 0.000912 -0.002728\n-0.001555 -4.924232 0.009398\n1.424500 0.867096 9.530493\nLi Cr Fe O\n4 2 2 8\ndirect\n0.994888 -0.000028 -0.000385 Li\n0.746179 0.244738 0.502457 Li\n0.494865 0.499920 0.999602 Li\n0.243368 0.755375 0.496742 Li\n0.869678 0.624480 0.749159 Cr\n0.119967 0.375531 0.250048 Cr\n0.370123 0.124971 0.750053 Fe\n0.619517 0.875017 0.249142 Fe\n0.926693 0.306924 0.863249 O\n0.176256 0.056643 0.362683 O\n0.562667 0.189743 0.135391 O\n0.677077 0.561812 0.364331 O\n0.312553 0.438195 0.634876 O\n0.813379 0.943357 0.636510 O\n0.062951 0.693060 0.135947 O\n0.426974 0.810252 0.863812 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-Li-O",
"density": 4.582854743514303,
"density_atomic": 0.11888215522605423,
"volume": 134.58706203278385,
"volume_molar": 5.0656389502267265,
"formula_full": "Li4 Cr2 Fe2 O8",
"formula_reduced": "Li2CrFeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.5555633625,
"spacegroup": 12
},
{
"id": "jvasp-42998",
"created_at": "2022-09-04T14:38:10.680100Z",
"updated_at": "2022-09-04T14:38:10.680128Z",
"structure_string": "Mn6 O2 F10\n1.0\n0.000000 4.768295 -0.000825\n9.760868 0.000000 0.000000\n0.000000 -0.000636 -4.789031\nMn O F\n6 2 10\ndirect\n0.968820 0.000000 0.023462 Mn\n0.996594 0.657444 0.984206 Mn\n0.996594 0.342557 0.984206 Mn\n0.503399 0.157446 0.484211 Mn\n0.503399 0.842554 0.484211 Mn\n0.531173 0.500000 0.523451 Mn\n0.820946 0.500000 0.805679 O\n0.679045 0.000000 0.305679 O\n0.185919 0.823749 0.190347 F\n0.314082 0.323751 0.690347 F\n0.314082 0.676249 0.690347 F\n0.272073 0.000000 0.712439 F\n0.792084 0.832414 0.804657 F\n0.707911 0.667586 0.304656 F\n0.792084 0.167586 0.804657 F\n0.227919 0.500000 0.212438 F\n0.707911 0.332415 0.304656 F\n0.185919 0.176252 0.190347 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.109442251844891,
"density_atomic": 0.08075571954252728,
"volume": 222.89442905057527,
"volume_molar": 7.457231257568875,
"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.6355407374042146,
"spacegroup": 31
},
{
"id": "jvasp-44219",
"created_at": "2022-09-04T14:38:10.684432Z",
"updated_at": "2022-09-04T14:38:10.684452Z",
"structure_string": "Li1 Cr1 Co2 O6\n1.0\n2.856904 0.000794 -0.000629\n-0.001836 5.834908 0.078192\n-1.426509 -1.548788 5.872254\nLi Cr Co O\n1 1 2 6\ndirect\n0.666671 0.833290 0.333308 Li\n0.666536 0.333311 0.333339 Cr\n0.337931 0.659813 0.675788 Co\n0.995482 0.006880 0.990883 Co\n0.506089 0.221281 0.012044 O\n0.174269 0.563762 0.348633 O\n0.158943 0.102881 0.318046 O\n0.838510 0.876526 0.676922 O\n0.827326 0.445417 0.654622 O\n0.494888 0.790167 0.989743 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-O",
"density": 4.611583120933323,
"density_atomic": 0.10180210369695475,
"volume": 98.22979719326895,
"volume_molar": 5.915536655241186,
"formula_full": "Li1 Cr1 Co2 O6",
"formula_reduced": "LiCr(CoO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.0204220200000003,
"spacegroup": 12
},
{
"id": "jvasp-53402",
"created_at": "2022-09-04T14:38:10.685283Z",
"updated_at": "2022-09-04T14:38:10.685314Z",
"structure_string": "Rb2 Pb2 F6\n1.0\n6.502075 -0.096473 -0.107529\n3.041898 5.757647 -0.067285\n3.074421 1.783539 5.457110\nRb Pb F\n2 2 6\ndirect\n0.757215 0.787042 0.789361 Rb\n0.257209 0.287319 0.289065 Rb\n0.011753 0.042204 0.044193 Pb\n0.511748 0.542089 0.544320 Pb\n0.818321 0.376930 0.197063 F\n0.164644 0.849572 0.378747 F\n0.664628 0.876633 0.351692 F\n0.318498 0.695017 0.878967 F\n0.347007 0.194538 0.851925 F\n0.847117 0.349659 0.696583 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"F"
],
"chemical_system": "F-Pb-Rb",
"density": 5.582498108310224,
"density_atomic": 0.04807284226426186,
"volume": 208.0176567266164,
"volume_molar": 12.527116093730449,
"formula_full": "Rb2 Pb2 F6",
"formula_reduced": "RbPbF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.999999999890978e-06,
"spacegroup": 161
},
{
"id": "jvasp-43059",
"created_at": "2022-09-04T14:38:10.686887Z",
"updated_at": "2022-09-04T14:38:10.686911Z",
"structure_string": "Li2 Cr6 O16\n1.0\n1.960487 4.573546 0.074813\n-0.017171 -0.011272 12.311334\n4.975981 -0.020480 0.074813\nLi Cr O\n2 6 16\ndirect\n-0.000001 0.000001 -0.000001 Li\n0.000000 0.499999 0.000000 Li\n0.641884 0.127659 0.641883 Cr\n0.641862 0.627645 0.641861 Cr\n0.358140 0.372353 0.358139 Cr\n0.358117 0.872341 0.358116 Cr\n0.000012 0.250006 0.000012 Cr\n-0.000012 0.749994 -0.000012 Cr\n0.780995 0.635024 0.268686 O\n0.781015 0.135037 0.268708 O\n0.731292 0.864963 0.218985 O\n0.731316 0.364975 0.219007 O\n0.268686 0.635024 0.780994 O\n0.268708 0.135037 0.781014 O\n0.228749 0.770733 0.228748 O\n0.259829 0.985836 0.259828 O\n0.771230 0.729253 0.771229 O\n0.771252 0.229268 0.771251 O\n0.219007 0.364975 0.731315 O\n0.259852 0.485848 0.259852 O\n0.740149 0.514150 0.740149 O\n0.740173 0.014165 0.740172 O\n0.228772 0.270745 0.228771 O\n0.218985 0.864963 0.731291 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 3.442261919614233,
"density_atomic": 0.08550583736963434,
"volume": 280.682591251052,
"volume_molar": 7.042958639147415,
"formula_full": "Li2 Cr6 O16",
"formula_reduced": "LiCr3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.323447516666667,
"spacegroup": 12
},
{
"id": "jvasp-54975",
"created_at": "2022-09-04T14:38:10.692543Z",
"updated_at": "2022-09-04T14:38:10.692559Z",
"structure_string": "Be12 V1\n1.0\n3.838232 0.000000 1.566567\n1.919117 5.107041 0.783284\n-0.010759 0.000000 5.511650\nBe V\n12 1\ndirect\n0.500000 0.787512 0.212487 Be\n0.348691 0.651309 0.651309 Be\n0.000000 0.348690 0.651309 Be\n0.000001 0.651309 0.348690 Be\n0.712488 0.787512 0.787512 Be\n0.500000 -0.000000 0.500000 Be\n0.500000 0.212487 0.787513 Be\n0.651309 0.348690 0.348691 Be\n0.287513 0.212487 0.212487 Be\n0.500000 0.500000 -0.000000 Be\n0.000000 0.500000 -0.000001 Be\n-0.000000 -0.000000 0.500000 Be\n0.000000 0.000000 0.000000 V\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Be",
"V"
],
"chemical_system": "Be-V",
"density": 2.4431919236961126,
"density_atomic": 0.12023067338928058,
"volume": 108.12548606385035,
"volume_molar": 5.008822283230193,
"formula_full": "Be12 V1",
"formula_reduced": "Be12V",
"formula_anonymous": "AB12",
"energy_above_hull": 2.488879030769231,
"spacegroup": 139
},
{
"id": "jvasp-38025",
"created_at": "2022-09-04T14:38:10.695746Z",
"updated_at": "2022-09-04T14:38:10.695775Z",
"structure_string": "Fe2 Sb2 As2\n1.0\n3.087677 0.000000 0.000000\n0.000000 5.548493 0.000000\n0.000000 0.000000 6.280427\nFe Sb As\n2 2 2\ndirect\n0.000000 0.274292 0.692240 Fe\n0.500001 0.725708 0.192240 Fe\n0.000000 0.068687 0.057556 Sb\n0.500001 0.931312 0.557556 Sb\n0.000000 0.443059 0.342604 As\n0.500001 0.556941 0.842605 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Fe",
"Sb",
"As"
],
"chemical_system": "As-Fe-Sb",
"density": 7.794533848920493,
"density_atomic": 0.05576416109788652,
"volume": 107.59598785083135,
"volume_molar": 10.799303067482604,
"formula_full": "Fe2 Sb2 As2",
"formula_reduced": "FeSbAs",
"formula_anonymous": "ABC",
"energy_above_hull": 2.14200445,
"spacegroup": 31
},
{
"id": "jvasp-59082",
"created_at": "2022-09-04T14:38:10.695838Z",
"updated_at": "2022-09-04T14:38:10.695848Z",
"structure_string": "Ge4 Cl16\n1.0\n0.000000 9.506950 -0.059635\n6.367800 0.000000 0.000000\n0.000000 -2.070879 -9.354809\nGe Cl\n4 16\ndirect\n0.252400 0.076767 0.135118 Ge\n0.747600 0.576767 0.364882 Ge\n0.747600 0.923233 0.864882 Ge\n0.252400 0.423233 0.635118 Ge\n0.924004 0.082180 0.803850 Cl\n0.075996 0.582180 0.696150 Cl\n0.433804 0.073857 0.310823 Cl\n0.566195 0.573857 0.189177 Cl\n0.566195 0.926143 0.689177 Cl\n0.433804 0.426143 0.810823 Cl\n0.306838 0.918023 0.956863 Cl\n0.693162 0.081977 0.043137 Cl\n0.924004 0.417820 0.303850 Cl\n0.306838 0.581977 0.456863 Cl\n0.190438 0.106299 0.577599 Cl\n0.809562 0.606299 0.922400 Cl\n0.809562 0.893701 0.422400 Cl\n0.190438 0.393701 0.077599 Cl\n0.693162 0.418023 0.543137 Cl\n0.075996 0.917821 0.196150 Cl\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Ge",
"Cl"
],
"chemical_system": "Cl-Ge",
"density": 2.5117186697635834,
"density_atomic": 0.035266454460819795,
"volume": 567.1111628819828,
"volume_molar": 17.07611624721294,
"formula_full": "Ge4 Cl16",
"formula_reduced": "GeCl4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0787624439999999,
"spacegroup": 14
},
{
"id": "jvasp-12711",
"created_at": "2022-09-04T14:38:10.699714Z",
"updated_at": "2022-09-04T14:38:10.699731Z",
"structure_string": "Li4 Ni2 P2 O8 F2\n1.0\n5.296925 -0.020582 -0.011559\n-0.384887 5.283392 -0.020481\n-2.344778 -2.501020 6.455707\nLi Ni P O F\n4 2 2 8 2\ndirect\n0.095765 0.521635 0.078799 Li\n0.530875 0.222417 0.861603 Li\n0.481753 0.907808 0.459271 Li\n0.780531 0.472369 0.676306 Li\n0.005390 0.001350 0.022117 Ni\n0.001951 0.997924 0.515769 Ni\n0.653393 0.350014 0.268940 P\n0.352663 0.650573 0.768993 P\n0.359383 0.283682 0.106121 O\n0.719390 0.644054 0.431577 O\n0.655215 0.705630 0.912418 O\n0.844214 0.316168 0.144589 O\n0.687290 0.159418 0.393466 O\n0.298016 0.347984 0.625760 O\n0.323843 0.856295 0.656605 O\n0.146693 0.679258 0.881177 O\n0.861135 0.141977 0.768928 F\n0.130375 0.873081 0.268976 F\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Li",
"Ni",
"P",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O-P",
"density": 3.4382119363505246,
"density_atomic": 0.09989461053860284,
"volume": 180.18990116633128,
"volume_molar": 6.0284941575229745,
"formula_full": "Li4 Ni2 P2 O8 F2",
"formula_reduced": "Li2NiPO4F",
"formula_anonymous": "ABCD2E4",
"energy_above_hull": 1.715114686944445,
"spacegroup": 5
}
]
}