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=851",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=849",
"results": [
{
"id": "jvasp-9615",
"created_at": "2022-09-04T14:38:27.638348Z",
"updated_at": "2022-09-04T14:38:27.638376Z",
"structure_string": "Mg2 Ga4 O8\n1.0\n5.161578 -0.000000 2.980039\n1.720526 4.866382 2.980039\n-0.000000 -0.000000 5.960076\nMg Ga O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Mg\n0.875001 0.875000 0.875001 Mg\n0.500001 0.500000 0.000000 Ga\n0.500001 0.500000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.739123 0.739122 0.739122 O\n0.260878 0.260878 0.717365 O\n0.260879 0.717364 0.260878 O\n0.717365 0.260878 0.260878 O\n0.739122 0.282635 0.739122 O\n0.282636 0.739122 0.739122 O\n0.260878 0.260878 0.260878 O\n0.739123 0.739122 0.282635 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"O"
],
"chemical_system": "Ga-Mg-O",
"density": 5.05236036754468,
"density_atomic": 0.09351634969382813,
"volume": 149.70644219792476,
"volume_molar": 6.439666197105049,
"formula_full": "Mg2 Ga4 O8",
"formula_reduced": "Mg(GaO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.956826814285714,
"spacegroup": 227
},
{
"id": "jvasp-54956",
"created_at": "2022-09-04T14:38:27.635467Z",
"updated_at": "2022-09-04T14:38:27.635488Z",
"structure_string": "Cu1 Cl1\n1.0\n3.126379 0.000000 1.805015\n1.042126 2.947578 1.805015\n0.000000 0.000000 3.610031\nCu Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500001 0.500000 0.500001 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu",
"density": 4.941536899331904,
"density_atomic": 0.0601190533011336,
"volume": 33.26732358844859,
"volume_molar": 10.017025267905286,
"formula_full": "Cu1 Cl1",
"formula_reduced": "CuCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.06831,
"spacegroup": 225
},
{
"id": "jvasp-55130",
"created_at": "2022-09-04T14:38:27.630933Z",
"updated_at": "2022-09-04T14:38:27.630951Z",
"structure_string": "Na1 Cu1 O2\n1.0\n2.982529 0.050552 4.645714\n1.400725 2.633628 4.645714\n0.082552 0.050552 5.520084\nNa Cu O\n1 1 2\ndirect\n0.499999 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Cu\n0.266041 0.266041 0.266041 O\n0.733957 0.733958 0.733959 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cu",
"O"
],
"chemical_system": "Cu-Na-O",
"density": 4.73077653414526,
"density_atomic": 0.09613871253128169,
"volume": 41.60654844112331,
"volume_molar": 6.264012281255079,
"formula_full": "Na1 Cu1 O2",
"formula_reduced": "NaCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6598933749999999,
"spacegroup": 166
},
{
"id": "jvasp-109547",
"created_at": "2022-09-04T14:38:27.621196Z",
"updated_at": "2022-09-04T14:38:27.621225Z",
"structure_string": "Li2 Ac1 Al1\n1.0\n4.402162 0.000000 2.541590\n1.467387 4.150399 2.541590\n0.000000 0.000000 5.083179\nLi Ac Al\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ac",
"Al"
],
"chemical_system": "Ac-Al-Li",
"density": 4.789293202869235,
"density_atomic": 0.043069389688943464,
"volume": 92.87338476093748,
"volume_molar": 13.982414897200114,
"formula_full": "Li2 Ac1 Al1",
"formula_reduced": "Li2AcAl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9115957,
"spacegroup": 225
},
{
"id": "jvasp-109322",
"created_at": "2022-09-04T14:38:27.619686Z",
"updated_at": "2022-09-04T14:38:27.619718Z",
"structure_string": "Tb2 P2 Os4 C2\n1.0\n5.902177 -0.005906 0.000000\n-4.647711 3.637928 0.000000\n-0.000000 0.000000 7.068721\nTb P Os C\n2 2 4 2\ndirect\n0.543829 0.456171 0.250000 Tb\n0.456172 0.543828 0.750000 Tb\n0.268763 0.731238 0.250000 P\n0.731238 0.268762 0.750000 P\n0.834321 0.165678 0.052149 Os\n0.165680 0.834321 0.947851 Os\n0.165680 0.834321 0.552148 Os\n0.834321 0.165678 0.447851 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tb",
"P",
"Os",
"C"
],
"chemical_system": "C-Os-P-Tb",
"density": 12.759284901377724,
"density_atomic": 0.06597028908118696,
"volume": 151.5833891176891,
"volume_molar": 9.12856506144576,
"formula_full": "Tb2 P2 Os4 C2",
"formula_reduced": "TbPOs2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.66281678,
"spacegroup": 63
},
{
"id": "jvasp-109602",
"created_at": "2022-09-04T14:38:27.615533Z",
"updated_at": "2022-09-04T14:38:27.615548Z",
"structure_string": "Tb1 Ho3\n1.0\n4.938684 -0.000000 0.000000\n0.000000 4.938684 0.000000\n-0.000000 -0.000000 4.938684\nTb Ho\n1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n-0.000000 0.500000 0.500000 Ho\n0.500000 0.000000 0.500000 Ho\n0.500000 0.500000 -0.000000 Ho\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Ho"
],
"chemical_system": "Ho-Tb",
"density": 9.011657998764013,
"density_atomic": 0.033206742520033604,
"volume": 120.45746425102682,
"volume_molar": 18.13529513280879,
"formula_full": "Tb1 Ho3",
"formula_reduced": "TbHo3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.408481275,
"spacegroup": 221
},
{
"id": "jvasp-108901",
"created_at": "2022-09-04T14:38:27.612854Z",
"updated_at": "2022-09-04T14:38:27.612882Z",
"structure_string": "Sm3 Ni3 Sn3\n1.0\n7.353361 0.000000 0.000000\n-3.676680 6.368197 0.000000\n0.000000 -0.000000 3.985785\nSm Ni Sn\n3 3 3\ndirect\n0.589788 -0.000000 -0.000000 Sm\n0.000000 0.589789 -0.000000 Sm\n0.410212 0.410212 -0.000000 Sm\n0.333333 0.666667 0.500001 Ni\n0.666667 0.333333 0.500001 Ni\n0.000000 0.000000 0.000000 Ni\n0.253421 -0.000000 0.500001 Sn\n0.000000 0.253421 0.500001 Sn\n0.746579 0.746579 0.500001 Sn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sm",
"Ni",
"Sn"
],
"chemical_system": "Ni-Sm-Sn",
"density": 8.748116593165074,
"density_atomic": 0.048219895382282746,
"volume": 186.6449507749624,
"volume_molar": 12.488912952334388,
"formula_full": "Sm3 Ni3 Sn3",
"formula_reduced": "SmNiSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6546209916666665,
"spacegroup": 189
},
{
"id": "jvasp-24348",
"created_at": "2022-09-04T14:38:27.610641Z",
"updated_at": "2022-09-04T14:38:27.610671Z",
"structure_string": "Li2 Ca2 Ni2 F12\n1.0\n2.531000 -4.383820 -0.000000\n2.531000 4.383820 -0.000000\n0.000000 -0.000000 9.789304\nLi Ca Ni F\n2 2 2 12\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.750000 Ni\n0.333333 0.666667 0.250000 Ni\n0.016886 0.368560 0.359701 F\n0.368560 0.016886 0.859701 F\n0.631440 0.648326 0.359701 F\n0.016886 0.648325 0.140299 F\n0.631440 0.983114 0.140299 F\n0.368560 0.351675 0.640298 F\n0.648325 0.016886 0.640298 F\n0.648326 0.631440 0.859701 F\n0.983114 0.631440 0.640298 F\n0.351675 0.368560 0.140299 F\n0.351675 0.983114 0.359701 F\n0.983114 0.351675 0.859701 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Ca",
"Ni",
"F"
],
"chemical_system": "Ca-F-Li-Ni",
"density": 3.358830227850351,
"density_atomic": 0.08286017289869643,
"volume": 217.23343519939937,
"volume_molar": 7.26783513638401,
"formula_full": "Li2 Ca2 Ni2 F12",
"formula_reduced": "LiCaNiF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.0,
"spacegroup": 163
},
{
"id": "jvasp-119752",
"created_at": "2022-09-04T14:38:27.608457Z",
"updated_at": "2022-09-04T14:38:27.608483Z",
"structure_string": "Co6 O8 F4\n1.0\n4.956212 -0.028685 1.802028\n1.366971 4.764058 1.802028\n-0.109257 -0.081821 7.058313\nCo O F\n6 8 4\ndirect\n0.673525 0.673526 0.846376 Co\n0.657315 0.657316 0.317673 Co\n0.338635 0.338636 0.652218 Co\n0.338172 0.338173 0.177346 Co\n0.997316 0.997316 0.497366 Co\n0.989752 0.989752 0.997791 Co\n0.302574 0.696406 0.002313 O\n0.696406 0.302573 0.002313 O\n0.034392 0.638888 0.668819 O\n0.361971 0.969453 0.334244 O\n0.435519 0.435520 0.366304 O\n0.638887 0.034392 0.668819 O\n0.969452 0.361971 0.334244 O\n0.765202 0.765202 0.037929 O\n0.231843 0.231844 0.964325 F\n0.577144 0.577144 0.632198 F\n0.893907 0.893907 0.308070 F\n0.097979 0.097980 0.691658 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.49792975452122,
"density_atomic": 0.10688313634002089,
"volume": 168.40823179755583,
"volume_molar": 5.634322650153273,
"formula_full": "Co6 O8 F4",
"formula_reduced": "Co3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.3732952516666663,
"spacegroup": 8
},
{
"id": "jvasp-26765",
"created_at": "2022-09-04T14:38:27.607563Z",
"updated_at": "2022-09-04T14:38:27.607586Z",
"structure_string": "Dy4 Te10 O26\n1.0\n6.972750 -0.018635 0.018045\n-2.243286 -8.339104 -0.012549\n-0.514085 0.023978 -10.545461\nDy Te O\n4 10 26\ndirect\n0.554211 0.470737 0.820370 Dy\n0.997863 0.264951 0.762158 Dy\n0.002137 0.735048 0.237842 Dy\n0.445789 0.529263 0.179631 Dy\n0.874876 0.345467 0.107127 Te\n0.156584 0.196741 0.366966 Te\n0.125124 0.654533 0.892873 Te\n0.567000 0.908652 0.304990 Te\n0.843416 0.803258 0.633035 Te\n0.709365 0.882698 0.970704 Te\n0.726276 0.393276 0.479273 Te\n0.290635 0.117302 0.029296 Te\n0.273724 0.606724 0.520727 Te\n0.433000 0.091348 0.695011 Te\n0.344020 0.009389 0.875120 O\n0.533612 0.674403 0.997076 O\n0.538221 0.189746 0.512960 O\n0.044600 0.650953 0.437671 O\n0.933695 0.267644 0.281954 O\n0.940287 0.018030 0.685604 O\n0.955400 0.349046 0.562330 O\n0.671497 0.743237 0.770188 O\n0.941041 0.820319 0.033889 O\n0.338331 0.487916 0.385325 O\n0.238813 0.505720 0.813249 O\n0.059713 0.981970 0.314396 O\n0.328503 0.256763 0.229812 O\n0.466388 0.325596 0.002925 O\n0.687563 0.737111 0.289763 O\n0.058959 0.179680 0.966111 O\n0.667374 0.220140 0.776647 O\n0.761187 0.494280 0.186751 O\n0.312438 0.262888 0.710238 O\n0.661669 0.512084 0.614675 O\n0.461780 0.810254 0.487040 O\n0.879179 0.487792 0.891823 O\n0.120821 0.512208 0.108177 O\n0.655980 0.990611 0.124881 O\n0.066305 0.732356 0.718046 O\n0.332626 0.779860 0.223354 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Dy",
"Te",
"O"
],
"chemical_system": "Dy-O-Te",
"density": 6.338492266526696,
"density_atomic": 0.06519478549624222,
"volume": 613.546002115546,
"volume_molar": 9.237150968687688,
"formula_full": "Dy4 Te10 O26",
"formula_reduced": "Dy2Te5O13",
"formula_anonymous": "A2B5C13",
"energy_above_hull": 2.353430866666667,
"spacegroup": 2
},
{
"id": "jvasp-109503",
"created_at": "2022-09-04T14:38:27.602416Z",
"updated_at": "2022-09-04T14:38:27.602436Z",
"structure_string": "Ba3 Na1\n1.0\n5.401072 -0.042741 -5.422711\n-0.951327 5.316802 -5.422711\n0.036061 0.042741 7.653501\nBa Na\n3 1\ndirect\n0.749999 0.250000 0.500000 Ba\n0.249999 0.750000 0.499999 Ba\n0.500000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Na"
],
"chemical_system": "Ba-Na",
"density": 3.2536811679405893,
"density_atomic": 0.018018797925851038,
"volume": 221.9903911715064,
"volume_molar": 33.42143457505682,
"formula_full": "Ba3 Na1",
"formula_reduced": "Ba3Na",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-109379",
"created_at": "2022-09-04T14:38:27.601668Z",
"updated_at": "2022-09-04T14:38:27.601681Z",
"structure_string": "Na1 Nb2 O4\n1.0\n3.006686 -0.000000 0.000000\n-1.503343 2.603866 0.000000\n-0.000000 -0.000000 10.535424\nNa Nb O\n1 2 4\ndirect\n0.000000 0.000000 0.500000 Na\n0.333335 0.666668 0.224060 Nb\n0.666668 0.333334 0.775940 Nb\n0.666668 0.333334 0.350745 O\n0.333335 0.666668 0.649255 O\n0.333335 0.666668 0.885040 O\n0.666668 0.333334 0.114960 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Na",
"Nb",
"O"
],
"chemical_system": "Na-Nb-O",
"density": 5.49205584304497,
"density_atomic": 0.08486709083724833,
"volume": 82.48191296463865,
"volume_molar": 7.0959670003874695,
"formula_full": "Na1 Nb2 O4",
"formula_reduced": "NaNb2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.9048788285714284,
"spacegroup": 164
}
]
}