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=-formula_anonymous&page=513",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=511",
"results": [
{
"id": "jvasp-34668",
"created_at": "2022-09-04T14:38:04.829194Z",
"updated_at": "2022-09-04T14:38:04.829205Z",
"structure_string": "K6 S2 O8 F2\n1.0\n6.304529 0.000000 -3.517155\n-1.962142 5.991417 -3.517155\n0.034505 0.047607 7.470887\nK S O F\n6 2 8 2\ndirect\n0.188508 0.688508 0.000001 K\n0.250000 0.250000 0.500001 K\n0.688508 0.811492 0.000001 K\n0.811492 0.311492 0.000001 K\n0.311492 0.188508 0.000000 K\n0.750000 0.750001 0.500002 K\n0.750000 0.250000 0.500001 S\n0.250000 0.750001 0.500001 S\n0.711196 0.448065 0.659261 O\n0.948064 0.211196 0.659261 O\n0.551936 0.051936 0.340740 O\n0.051936 0.788804 0.340741 O\n0.288804 0.551936 0.340741 O\n0.788804 0.288804 0.340741 O\n0.448064 0.948065 0.659262 O\n0.211196 0.711197 0.659261 O\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000001 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"S",
"O",
"F"
],
"chemical_system": "F-K-O-S",
"density": 2.7141966886873607,
"density_atomic": 0.06331126888161104,
"volume": 284.30957581436434,
"volume_molar": 9.511957138722186,
"formula_full": "K6 S2 O8 F2",
"formula_reduced": "K3SO4F",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.8857042536111115,
"spacegroup": 140
},
{
"id": "jvasp-44785",
"created_at": "2022-09-04T14:38:09.840004Z",
"updated_at": "2022-09-04T14:38:09.840028Z",
"structure_string": "Li8 Fe2 O6 F2\n1.0\n5.549130 -0.007705 -0.020119\n0.120700 5.548684 -0.013638\n0.040333 0.029256 6.159074\nLi Fe O F\n8 2 6 2\ndirect\n0.122699 0.027050 0.303649 Li\n0.799305 0.827647 0.495041 Li\n0.804035 0.822947 0.995050 Li\n0.299944 0.639161 0.213963 Li\n0.121113 0.391398 0.489018 Li\n0.615263 0.323370 0.713711 Li\n0.367419 0.144991 0.989000 Li\n0.003252 0.146225 0.803338 Li\n0.663861 0.299768 0.250677 Fe\n0.276181 0.687474 0.750927 Fe\n0.162628 0.862303 0.989209 O\n0.141071 0.745264 0.480626 O\n0.265855 0.355164 0.767002 O\n0.331492 0.289773 0.267050 O\n0.721343 0.164572 0.980299 O\n0.838595 0.186233 0.488929 O\n0.666054 0.672681 0.238445 F\n0.649116 0.689469 0.738437 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.637312324300084,
"density_atomic": 0.09491040931905917,
"volume": 189.65253789486482,
"volume_molar": 6.34507932607839,
"formula_full": "Li8 Fe2 O6 F2",
"formula_reduced": "Li4FeO3F",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.5178540313888886,
"spacegroup": 9
},
{
"id": "jvasp-9977",
"created_at": "2022-09-04T14:37:18.321803Z",
"updated_at": "2022-09-04T14:37:18.321824Z",
"structure_string": "Sr6 Ga2 O8 F2\n1.0\n6.047642 -0.000000 -3.098023\n-1.587022 5.835695 -3.098023\n0.013522 0.017691 7.478201\nSr Ga O F\n6 2 8 2\ndirect\n0.250000 0.250000 0.500000 Sr\n0.166089 0.666089 0.000000 Sr\n0.333911 0.166089 0.000000 Sr\n0.666089 0.833910 0.000000 Sr\n0.833911 0.333911 0.000000 Sr\n0.750000 0.749999 0.500000 Sr\n0.250000 0.749999 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.495348 0.995347 0.288098 O\n0.995348 0.792749 0.288098 O\n0.292750 0.495348 0.288098 O\n0.004652 0.207250 0.711902 O\n0.707249 0.504652 0.711902 O\n0.504652 0.004652 0.711902 O\n0.207250 0.707249 0.711902 O\n0.792750 0.292750 0.288098 O\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"Ga",
"O",
"F"
],
"chemical_system": "F-Ga-O-Sr",
"density": 5.21635855145308,
"density_atomic": 0.06803106196030848,
"volume": 264.5850216258829,
"volume_molar": 8.852045795659505,
"formula_full": "Sr6 Ga2 O8 F2",
"formula_reduced": "Sr3GaO4F",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.6330339486111113,
"spacegroup": 140
},
{
"id": "jvasp-99743",
"created_at": "2022-09-04T14:36:34.797553Z",
"updated_at": "2022-09-04T14:36:34.797580Z",
"structure_string": "Mg1 Al1 Cu3 Se4\n1.0\n5.777052 0.000000 0.000000\n-0.000000 5.777052 -0.000000\n-0.000000 -0.000000 5.777052\nMg Al Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.243117 0.243117 0.243117 Se\n0.756883 0.756883 0.243117 Se\n0.243117 0.756883 0.756883 Se\n0.756883 0.243117 0.756883 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Mg",
"Al",
"Cu",
"Se"
],
"chemical_system": "Al-Cu-Mg-Se",
"density": 4.80375850865041,
"density_atomic": 0.04667922955244666,
"volume": 192.8052387815872,
"volume_molar": 12.901114302312545,
"formula_full": "Mg1 Al1 Cu3 Se4",
"formula_reduced": "MgAlCu3Se4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.6229262962962963,
"spacegroup": 215
},
{
"id": "jvasp-100482",
"created_at": "2022-09-04T14:36:34.555495Z",
"updated_at": "2022-09-04T14:36:34.555521Z",
"structure_string": "Cd1 Co1 Cu3 Se4\n1.0\n5.790920 0.000000 -0.000000\n0.000000 5.790920 0.000000\n-0.000000 0.000000 5.790920\nCd Co Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.236332 0.236332 0.236332 Se\n0.763668 0.763668 0.236332 Se\n0.236332 0.763668 0.763668 Se\n0.763668 0.236332 0.763668 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Cd",
"Co",
"Cu",
"Se"
],
"chemical_system": "Cd-Co-Cu-Se",
"density": 5.7959173934964685,
"density_atomic": 0.046344672071599924,
"volume": 194.1970802187467,
"volume_molar": 12.994246136203381,
"formula_full": "Cd1 Co1 Cu3 Se4",
"formula_reduced": "CdCoCu3Se4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.7326317185185182,
"spacegroup": 215
},
{
"id": "jvasp-105703",
"created_at": "2022-09-04T14:36:09.837955Z",
"updated_at": "2022-09-04T14:36:09.837976Z",
"structure_string": "Rb1 Hf1 Cu3 Se4\n1.0\n6.301639 0.000000 0.000000\n-0.000000 6.301639 0.000000\n0.000000 -0.000000 6.301639\nRb Hf Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.225670 0.225670 0.225670 Se\n0.774331 0.774331 0.225670 Se\n0.225670 0.774331 0.774331 Se\n0.774331 0.225670 0.774331 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Rb",
"Hf",
"Cu",
"Se"
],
"chemical_system": "Cu-Hf-Rb-Se",
"density": 5.112401948778434,
"density_atomic": 0.03596515602090846,
"volume": 250.24220650586977,
"volume_molar": 16.74437546301484,
"formula_full": "Rb1 Hf1 Cu3 Se4",
"formula_reduced": "RbHfCu3Se4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.0948475351851852,
"spacegroup": 215
},
{
"id": "jvasp-88331",
"created_at": "2022-09-04T14:36:16.758308Z",
"updated_at": "2022-09-04T14:36:16.758327Z",
"structure_string": "Ba12 Al4 H4 O16\n1.0\n10.563874 0.000000 0.000000\n0.000000 8.236890 -0.000000\n0.000000 0.000000 7.292094\nBa Al H O\n12 4 4 16\ndirect\n0.834137 0.025296 0.399099 Ba\n0.535764 0.750000 0.401137 Ba\n0.035765 0.750000 0.098862 Ba\n0.464235 0.250000 0.598862 Ba\n0.334137 0.025296 0.100901 Ba\n0.834137 0.474704 0.399099 Ba\n0.964235 0.250000 0.901137 Ba\n0.165863 0.974704 0.600901 Ba\n0.665863 0.974704 0.899098 Ba\n0.165863 0.525296 0.600901 Ba\n0.334137 0.474704 0.100901 Ba\n0.665863 0.525296 0.899098 Ba\n0.603422 0.250000 0.189103 Al\n0.103422 0.250000 0.310897 Al\n0.396577 0.750000 0.810897 Al\n0.896577 0.750000 0.689102 Al\n0.769988 0.750000 0.160523 H\n0.269988 0.750000 0.339477 H\n0.230012 0.250000 0.839476 H\n0.730011 0.250000 0.660523 H\n0.267963 0.250000 0.371614 O\n0.767963 0.250000 0.128386 O\n0.988501 0.750000 0.482395 O\n0.488501 0.750000 0.017605 O\n0.011499 0.250000 0.517604 O\n0.511499 0.250000 0.982395 O\n0.232037 0.750000 0.871613 O\n0.072329 0.065304 0.194723 O\n0.927670 0.565304 0.805276 O\n0.427671 0.934696 0.694723 O\n0.927670 0.934696 0.805276 O\n0.427671 0.565304 0.694723 O\n0.072329 0.434696 0.194723 O\n0.572329 0.065304 0.305276 O\n0.572329 0.434696 0.305276 O\n0.732037 0.750000 0.628386 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Ba",
"Al",
"H",
"O"
],
"chemical_system": "Al-Ba-H-O",
"density": 5.275618478048951,
"density_atomic": 0.05673665969696651,
"volume": 634.5103887376856,
"volume_molar": 10.614196874057393,
"formula_full": "Ba12 Al4 H4 O16",
"formula_reduced": "Ba3AlHO4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.4328160788888888,
"spacegroup": 62
},
{
"id": "jvasp-122531",
"created_at": "2022-09-04T14:38:51.026999Z",
"updated_at": "2022-09-04T14:38:51.027029Z",
"structure_string": "Li6 Cr2 Cl2 O8\n1.0\n6.734423 -0.000000 0.000000\n0.000000 6.734423 0.000000\n-0.000000 -0.000000 4.789999\nLi Cr Cl O\n6 2 2 8\ndirect\n0.500000 0.000000 0.156141 Li\n0.750000 0.250000 0.500000 Li\n0.250000 0.250000 0.500000 Li\n-0.000000 0.500000 0.843859 Li\n0.250000 0.750000 0.500000 Li\n0.750000 0.750000 0.500000 Li\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 -0.000000 Cr\n-0.000000 0.500000 0.322447 Cl\n0.500000 0.000000 0.677553 Cl\n0.196453 0.000000 0.210373 O\n0.803547 0.000000 0.210373 O\n-0.000000 0.196453 0.789627 O\n0.500000 0.303547 0.210373 O\n0.303547 0.500000 0.789627 O\n0.696452 0.500000 0.789627 O\n0.500000 0.696452 0.210373 O\n-0.000000 0.803547 0.789627 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Cl",
"O"
],
"chemical_system": "Cl-Cr-Li-O",
"density": 2.6336119521447383,
"density_atomic": 0.08285835349840037,
"volume": 217.23820520217674,
"volume_molar": 7.267994723207069,
"formula_full": "Li6 Cr2 Cl2 O8",
"formula_reduced": "Li3CrClO4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.943816163055556,
"spacegroup": 129
},
{
"id": "jvasp-44740",
"created_at": "2022-09-04T14:38:10.525073Z",
"updated_at": "2022-09-04T14:38:10.525088Z",
"structure_string": "Li3 Fe1 O1 F4\n1.0\n3.699352 0.000376 0.000232\n-1.849117 -4.831234 0.016401\n-1.849461 0.238085 -4.941144\nLi Fe O F\n3 1 1 4\ndirect\n0.574101 0.770566 0.441612 Li\n0.396756 0.243295 0.614189 Li\n0.756941 0.429226 0.148634 Li\n0.963525 0.997026 0.994019 Fe\n0.480723 0.028191 0.997231 O\n0.034224 0.790923 0.341512 F\n0.276398 0.372403 0.244364 F\n0.672160 0.608410 0.799885 F\n0.850031 0.144740 0.619301 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.172132058221911,
"density_atomic": 0.1019365584734009,
"volume": 88.29020848637381,
"volume_molar": 5.907734035940996,
"formula_full": "Li3 Fe1 O1 F4",
"formula_reduced": "Li3FeOF4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.67477557,
"spacegroup": 8
},
{
"id": "jvasp-34206",
"created_at": "2022-09-04T14:37:13.739683Z",
"updated_at": "2022-09-04T14:37:13.739712Z",
"structure_string": "Na3 S1 O4 F1\n1.0\n6.021570 0.710360 0.492397\n0.519628 6.054304 0.506906\n0.683866 0.716119 6.007494\nNa S O F\n3 1 4 1\ndirect\n0.401599 -0.009626 0.401762 Na\n0.402742 0.403178 -0.008622 Na\n-0.008018 0.403851 0.403607 Na\n0.503420 0.502379 0.503023 S\n0.648889 0.331694 0.649021 O\n0.329463 0.646710 0.646500 O\n0.647328 0.647653 0.330284 O\n0.385528 0.381548 0.384039 O\n0.167053 0.170608 0.168386 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Na",
"S",
"O",
"F"
],
"chemical_system": "F-Na-O-S",
"density": 1.4346984872170245,
"density_atomic": 0.042253694910938035,
"volume": 212.99912395756445,
"volume_molar": 14.252341180323794,
"formula_full": "Na3 S1 O4 F1",
"formula_reduced": "Na3SO4F",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.005646809166667,
"spacegroup": 160
},
{
"id": "jvasp-95283",
"created_at": "2022-09-04T14:35:57.026841Z",
"updated_at": "2022-09-04T14:35:57.026861Z",
"structure_string": "Sr4 Li4 Al12 N16\n1.0\n5.717118 -0.001366 1.340049\n1.200422 7.369480 0.835193\n-0.006210 -0.002375 9.974598\nSr Li Al N\n4 4 12 16\ndirect\n0.995724 0.866154 0.872598 Sr\n0.004276 0.133846 0.127402 Sr\n0.976795 0.615860 0.628439 Sr\n0.023204 0.384141 0.371561 Sr\n0.533362 0.674879 0.887140 Li\n0.466638 0.325121 0.112860 Li\n0.791900 0.818745 0.355312 Li\n0.208100 0.181255 0.644688 Li\n0.562214 0.202468 0.367210 Al\n0.437786 0.797532 0.632790 Al\n0.531141 0.438707 0.624727 Al\n0.819770 0.556838 0.100107 Al\n0.180230 0.443162 0.899893 Al\n0.468859 0.561293 0.375273 Al\n0.831215 0.292382 0.852616 Al\n0.174590 0.940250 0.398008 Al\n0.825410 0.059750 0.601992 Al\n0.552377 0.954301 0.123506 Al\n0.447623 0.045699 0.876494 Al\n0.168785 0.707618 0.147384 Al\n0.196979 0.708733 0.332952 N\n0.803021 0.291267 0.667048 N\n0.161894 0.475495 0.089226 N\n0.838106 0.524505 0.910774 N\n0.830917 0.795059 0.144375 N\n0.169083 0.204941 0.855625 N\n0.152210 0.932361 0.592446 N\n0.616759 0.916373 0.720692 N\n0.383241 0.083627 0.279308 N\n0.372601 0.354888 0.504728 N\n0.627399 0.645113 0.495272 N\n0.349928 0.866806 0.028024 N\n0.650072 0.133194 0.971976 N\n0.342582 0.591440 0.761618 N\n0.847790 0.067639 0.407554 N\n0.657418 0.408560 0.238382 N\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Al",
"N"
],
"chemical_system": "Al-Li-N-Sr",
"density": 3.65867170464208,
"density_atomic": 0.08564559886062445,
"volume": 420.3368355049356,
"volume_molar": 7.031465527843578,
"formula_full": "Sr4 Li4 Al12 N16",
"formula_reduced": "SrLiAl3N4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 3.239366412222222,
"spacegroup": 2
},
{
"id": "jvasp-110329",
"created_at": "2022-09-04T14:38:38.810344Z",
"updated_at": "2022-09-04T14:38:38.810360Z",
"structure_string": "Ga1 Cu3 Hg1 Se4\n1.0\n5.940182 -0.000000 0.000000\n0.000000 5.940182 0.000000\n-0.000000 -0.000000 5.940182\nGa Cu Hg Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Hg\n0.238171 0.238171 0.238171 Se\n0.761829 0.761829 0.238171 Se\n0.238171 0.761829 0.761829 Se\n0.761829 0.238171 0.761829 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ga",
"Cu",
"Hg",
"Se"
],
"chemical_system": "Cu-Ga-Hg-Se",
"density": 6.153950920056448,
"density_atomic": 0.04293814271170329,
"volume": 209.6038494358757,
"volume_molar": 14.025154279341002,
"formula_full": "Ga1 Cu3 Hg1 Se4",
"formula_reduced": "GaCu3HgSe4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.2784813046296294,
"spacegroup": 215
}
]
}