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=-nsites&page=461",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=459",
"results": [
{
"id": "jvasp-22282",
"created_at": "2022-09-04T14:37:54.109514Z",
"updated_at": "2022-09-04T14:37:54.109531Z",
"structure_string": "Al18 Co4\n1.0\n0.000000 6.225871 -0.011690\n6.304204 0.000000 0.000000\n0.000000 -0.715442 -8.549376\nAl Co\n18 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.216982 0.883577 0.545368 Al\n0.783018 0.383577 0.954633 Al\n0.783018 0.116422 0.454632 Al\n0.216982 0.616422 0.045368 Al\n0.390007 0.309624 0.497132 Al\n0.609993 0.809624 0.002868 Al\n0.609993 0.690375 0.502868 Al\n0.087729 0.208013 0.727731 Al\n0.390008 0.190376 0.997132 Al\n0.912271 0.791987 0.272269 Al\n0.087729 0.291987 0.227731 Al\n0.405022 0.530227 0.769457 Al\n0.594978 0.030227 0.730544 Al\n0.594978 0.469772 0.230544 Al\n0.405022 0.969772 0.269457 Al\n0.000000 0.500000 0.500000 Al\n0.912271 0.708013 0.772269 Al\n0.736486 0.379931 0.666426 Co\n0.263514 0.620069 0.333575 Co\n0.736486 0.120069 0.166426 Co\n0.263514 0.879930 0.833575 Co\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Al",
"Co"
],
"chemical_system": "Al-Co",
"density": 3.5693775924408806,
"density_atomic": 0.06555255936232142,
"volume": 335.6085592082199,
"volume_molar": 9.186736290057702,
"formula_full": "Al18 Co4",
"formula_reduced": "Al9Co2",
"formula_anonymous": "A2B9",
"energy_above_hull": 2.362663363636364,
"spacegroup": 14
},
{
"id": "jvasp-33026",
"created_at": "2022-09-04T14:37:30.272179Z",
"updated_at": "2022-09-04T14:37:30.272197Z",
"structure_string": "V2 N4 Cl12 O4\n1.0\n6.527130 0.000000 -0.250898\n0.000000 6.631954 0.000000\n-0.068491 0.000000 10.185261\nV N Cl O\n2 4 12 4\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.926549 0.486680 0.808071 N\n0.073451 0.513319 0.191929 N\n0.573451 0.986680 0.691929 N\n0.426549 0.013320 0.308071 N\n0.209505 0.321519 0.519856 Cl\n0.811526 0.699659 0.998937 Cl\n0.538555 0.524214 0.729273 Cl\n0.709505 0.178481 0.019855 Cl\n0.290495 0.821518 0.980144 Cl\n0.311526 0.800340 0.498937 Cl\n0.188475 0.300340 0.001063 Cl\n0.961445 0.024215 0.770726 Cl\n0.688475 0.199660 0.501063 Cl\n0.790495 0.678481 0.480144 Cl\n0.038555 0.975785 0.229273 Cl\n0.461445 0.475785 0.270726 Cl\n0.027891 0.571353 0.740466 O\n0.472109 0.071353 0.759533 O\n0.527891 0.928646 0.240466 O\n0.972109 0.428647 0.259533 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"V",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-N-O-V",
"density": 2.438710033823267,
"density_atomic": 0.04991131634845327,
"volume": 440.7818027961463,
"volume_molar": 12.06568209493161,
"formula_full": "V2 N4 Cl12 O4",
"formula_reduced": "VN2(Cl3O)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.160070191363636,
"spacegroup": 14
},
{
"id": "jvasp-51952",
"created_at": "2022-09-04T14:37:37.541600Z",
"updated_at": "2022-09-04T14:37:37.541622Z",
"structure_string": "Sb4 Pb4 O14\n1.0\n6.561016 0.000005 3.788008\n2.187009 6.185817 3.788010\n-0.000012 -0.000006 7.576038\nSb Pb O\n4 4 14\ndirect\n0.000000 -0.000000 0.500001 Sb\n0.000001 -0.000000 0.000000 Sb\n0.000000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.499999 0.499999 0.500000 Pb\n1.000000 0.500001 0.500000 Pb\n0.500001 0.500000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n0.901072 0.348929 0.348929 O\n0.875000 0.875000 0.875002 O\n0.901073 0.901074 0.348928 O\n0.348929 0.901072 0.901072 O\n0.651071 0.651070 0.098929 O\n0.125002 0.125002 0.124999 O\n0.098929 0.098927 0.651072 O\n0.098928 0.651072 0.651071 O\n0.098928 0.651072 0.098930 O\n0.901073 0.348928 0.901071 O\n0.348931 0.348931 0.901069 O\n0.651072 0.098928 0.651072 O\n0.348930 0.901072 0.348929 O\n0.651072 0.098929 0.098929 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"Pb",
"O"
],
"chemical_system": "O-Pb-Sb",
"density": 8.315944759972842,
"density_atomic": 0.07155038110098808,
"volume": 307.4756508836567,
"volume_molar": 8.416643863154542,
"formula_full": "Sb4 Pb4 O14",
"formula_reduced": "Sb2Pb2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.1676962127272725,
"spacegroup": 227
},
{
"id": "jvasp-24901",
"created_at": "2022-09-04T14:37:43.575146Z",
"updated_at": "2022-09-04T14:37:43.575177Z",
"structure_string": "Sb2 S2 Cl18\n1.0\n7.054386 -0.005294 -1.919556\n-3.361993 6.487411 -0.244130\n-0.073651 -0.021869 13.751012\nSb S Cl\n2 2 18\ndirect\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.565827 0.150494 0.716320 S\n0.434174 0.849507 0.283680 S\n0.172936 0.794870 0.967807 Cl\n0.891640 0.701235 0.592873 Cl\n0.148111 0.036970 0.185080 Cl\n0.827065 0.205130 0.032193 Cl\n0.384352 0.211870 0.596222 Cl\n0.772368 0.431132 0.802215 Cl\n0.366333 0.687910 0.612857 Cl\n0.693161 0.693161 -0.000000 Cl\n0.615649 0.788131 0.403778 Cl\n0.306840 0.306840 -0.000000 Cl\n0.108362 0.298765 0.407127 Cl\n0.075052 0.753475 0.387142 Cl\n0.628918 0.970152 0.197784 Cl\n0.924950 0.246526 0.612857 Cl\n0.633668 0.312090 0.387142 Cl\n0.227633 0.568868 0.197785 Cl\n0.371084 0.029848 0.802215 Cl\n0.851891 0.963031 0.814920 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-S-Sb",
"density": 2.500985904168669,
"density_atomic": 0.03503351238686429,
"volume": 627.9701491834667,
"volume_molar": 17.189657415731975,
"formula_full": "Sb2 S2 Cl18",
"formula_reduced": "SbSCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.4434647915909088,
"spacegroup": 12
},
{
"id": "jvasp-57356",
"created_at": "2022-09-04T14:37:43.317559Z",
"updated_at": "2022-09-04T14:37:43.317592Z",
"structure_string": "Ni4 P4 O14\n1.0\n0.000000 4.477799 -0.006494\n9.917004 0.000000 0.000000\n0.000000 -0.671980 -5.190748\nNi P O\n4 4 14\ndirect\n0.098351 0.343122 0.420123 Ni\n0.901650 0.656877 0.579877 Ni\n0.901650 0.843122 0.079877 Ni\n0.098351 0.156878 0.920123 Ni\n0.643742 0.387940 0.842726 P\n0.356259 0.887940 0.657274 P\n0.643742 0.112060 0.342725 P\n0.356259 0.612060 0.157274 P\n0.500000 0.500000 -0.000000 O\n0.785527 0.457648 0.624782 O\n0.114830 0.821857 0.462326 O\n0.500000 0.000000 0.500000 O\n0.885171 0.178143 0.537673 O\n0.384227 0.206424 0.239745 O\n0.214474 0.542351 0.375218 O\n0.114830 0.678143 0.962326 O\n0.214474 0.957648 0.875218 O\n0.785527 0.042352 0.124781 O\n0.615773 0.706424 0.260254 O\n0.885171 0.321857 0.037673 O\n0.615773 0.793576 0.760255 O\n0.384227 0.293576 0.739745 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P",
"density": 4.1967000306485,
"density_atomic": 0.09542586867149712,
"volume": 230.54545173421312,
"volume_molar": 6.3108052814600795,
"formula_full": "Ni4 P4 O14",
"formula_reduced": "Ni2P2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.5822591181818177,
"spacegroup": 14
},
{
"id": "jvasp-53413",
"created_at": "2022-09-04T14:37:54.350633Z",
"updated_at": "2022-09-04T14:37:54.350662Z",
"structure_string": "Er4 Zr4 O14\n1.0\n3.577474 0.000000 0.000000\n0.000000 7.456279 0.000000\n0.000000 0.000000 10.525377\nEr Zr O\n4 4 14\ndirect\n0.499999 0.500000 0.500000 Er\n0.000000 0.250000 0.225711 Er\n0.499999 0.000000 0.500000 Er\n0.000000 0.750000 0.774289 Er\n0.000000 0.250000 0.753456 Zr\n0.000000 0.750000 0.246544 Zr\n0.499999 0.500000 0.000000 Zr\n0.499999 0.000000 0.000000 Zr\n0.000000 0.042072 0.370402 O\n0.000000 0.957928 0.629598 O\n0.000000 0.542072 0.629598 O\n0.499999 0.750000 0.888041 O\n0.499999 0.250000 0.866937 O\n0.000000 0.518147 0.119431 O\n0.499999 0.250000 0.111960 O\n0.000000 0.481853 0.880569 O\n0.499999 0.750000 0.133064 O\n0.499999 0.750000 0.381948 O\n0.000000 0.457928 0.370402 O\n0.499999 0.250000 0.618052 O\n0.000000 0.018147 0.880569 O\n0.000000 0.981853 0.119431 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Er",
"Zr",
"O"
],
"chemical_system": "Er-O-Zr",
"density": 7.439899444815867,
"density_atomic": 0.07835854877617589,
"volume": 280.7606871694499,
"volume_molar": 7.685365354585243,
"formula_full": "Er4 Zr4 O14",
"formula_reduced": "Er2Zr2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.772849409090909,
"spacegroup": 51
},
{
"id": "jvasp-22756",
"created_at": "2022-09-04T14:37:35.613859Z",
"updated_at": "2022-09-04T14:37:35.613875Z",
"structure_string": "Ho2 Al14 Au6\n1.0\n7.097556 -0.011641 4.555414\n2.483297 6.648961 4.555414\n-0.016804 -0.011641 8.433672\nHo Al Au\n2 14 6\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500001 0.500000 0.499999 Ho\n0.647489 0.430639 0.831955 Al\n0.168044 0.352512 0.569360 Al\n0.331957 0.930639 0.147487 Al\n0.930640 0.147488 0.331955 Al\n0.750001 0.750000 0.749998 Al\n0.250000 0.250000 0.249999 Al\n0.147488 0.331957 0.930638 Al\n0.352513 0.569361 0.168043 Al\n0.852513 0.668044 0.069360 Al\n0.069362 0.852512 0.668043 Al\n0.668044 0.069361 0.852511 Al\n0.831957 0.647488 0.430638 Al\n0.430640 0.831956 0.647486 Al\n0.569361 0.168044 0.352512 Al\n0.250001 0.574339 0.925660 Au\n0.074339 0.750000 0.425661 Au\n0.750001 0.425662 0.074338 Au\n0.425662 0.074339 0.749999 Au\n0.925662 0.250000 0.574337 Au\n0.574339 0.925662 0.249999 Au\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ho",
"Al",
"Au"
],
"chemical_system": "Al-Au-Ho",
"density": 7.863321099673731,
"density_atomic": 0.05513854685635223,
"volume": 398.9949183338968,
"volume_molar": 10.92183436696105,
"formula_full": "Ho2 Al14 Au6",
"formula_reduced": "HoAl7Au3",
"formula_anonymous": "AB3C7",
"energy_above_hull": 1.546108897878788,
"spacegroup": 167
},
{
"id": "jvasp-57185",
"created_at": "2022-09-04T14:37:52.423015Z",
"updated_at": "2022-09-04T14:37:52.423038Z",
"structure_string": "Y4 Si4 O14\n1.0\n0.000000 5.103930 0.003086\n8.078706 0.000000 0.000000\n0.000000 -2.189653 -7.076544\nY Si O\n4 4 14\ndirect\n0.000000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.499999 Y\n0.500000 0.500000 0.499999 Y\n0.473135 0.250000 0.893487 Si\n0.100992 0.750000 0.681313 Si\n0.526865 0.750000 0.106512 Si\n0.899008 0.250000 0.318686 Si\n0.465470 0.578536 0.202162 O\n0.921849 0.581158 0.669668 O\n0.534530 0.078536 0.797837 O\n0.817774 0.750000 0.057381 O\n0.319350 0.750000 0.559517 O\n0.921849 0.918843 0.669668 O\n0.078152 0.418843 0.330331 O\n0.465470 0.921464 0.202162 O\n0.680650 0.250000 0.440482 O\n0.078152 0.081157 0.330331 O\n0.182226 0.250000 0.942617 O\n0.742511 0.250000 0.085776 O\n0.257489 0.750000 0.914223 O\n0.534530 0.421464 0.797837 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Y",
"Si",
"O"
],
"chemical_system": "O-Si-Y",
"density": 3.938598752239064,
"density_atomic": 0.0754112631289944,
"volume": 291.7336096382313,
"volume_molar": 7.985731189383279,
"formula_full": "Y4 Si4 O14",
"formula_reduced": "Y2Si2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.876081145454545,
"spacegroup": 11
},
{
"id": "jvasp-25848",
"created_at": "2022-09-04T14:37:53.390342Z",
"updated_at": "2022-09-04T14:37:53.390365Z",
"structure_string": "Ba6 Na2 Bi2 O12\n1.0\n7.319448 -0.007560 -0.236069\n-0.243561 7.315398 -0.236069\n-0.007320 -0.007560 7.323250\nBa Na Bi O\n6 2 2 12\ndirect\n0.897637 0.250000 0.602363 Ba\n0.102364 0.750000 0.397636 Ba\n0.602364 0.897637 0.250000 Ba\n0.750000 0.397637 0.102363 Ba\n0.397637 0.102363 0.750000 Ba\n0.250000 0.602364 0.897636 Ba\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.417700 0.551592 0.218868 O\n0.551592 0.218868 0.417700 O\n0.281133 0.948408 0.082300 O\n0.082300 0.281132 0.948408 O\n0.781133 0.582300 0.448408 O\n0.917700 0.718868 0.051592 O\n0.051592 0.917700 0.718868 O\n0.948408 0.082300 0.281132 O\n0.718868 0.051592 0.917700 O\n0.218868 0.417700 0.551592 O\n0.582300 0.448408 0.781132 O\n0.448408 0.781133 0.582300 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"Na",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Na-O",
"density": 6.26763638689469,
"density_atomic": 0.056110796423810505,
"volume": 392.0814068264471,
"volume_molar": 10.732588278580407,
"formula_full": "Ba6 Na2 Bi2 O12",
"formula_reduced": "Ba3NaBiO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.3245502009090906,
"spacegroup": 167
},
{
"id": "jvasp-22056",
"created_at": "2022-09-04T14:37:35.627387Z",
"updated_at": "2022-09-04T14:37:35.627411Z",
"structure_string": "Na2 Ca6 Ir2 O12\n1.0\n6.520357 0.003193 -0.051706\n-0.052142 6.520148 -0.051706\n0.003166 0.003193 6.520561\nNa Ca Ir O\n2 6 2 12\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.606248 0.893752 0.249999 Ca\n0.250001 0.606247 0.893752 Ca\n0.893753 0.249999 0.606247 Ca\n0.393753 0.106247 0.750000 Ca\n0.750001 0.393752 0.106247 Ca\n0.106248 0.750000 0.393752 Ca\n0.000000 0.000000 0.000000 Ir\n0.500001 0.500000 0.499999 Ir\n0.929579 0.707263 0.059110 O\n0.207263 0.429579 0.559111 O\n0.440890 0.792737 0.570420 O\n0.570422 0.440889 0.792736 O\n0.792738 0.570421 0.440888 O\n0.292738 0.940889 0.070420 O\n0.070422 0.292737 0.940889 O\n0.940890 0.070421 0.292736 O\n0.559112 0.207263 0.429578 O\n0.429579 0.559111 0.207262 O\n0.059112 0.929579 0.707262 O\n0.707264 0.059110 0.929578 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Ca",
"Ir",
"O"
],
"chemical_system": "Ca-Ir-Na-O",
"density": 5.1686578996104755,
"density_atomic": 0.07936039452021719,
"volume": 277.2163638172875,
"volume_molar": 7.58834529037762,
"formula_full": "Na2 Ca6 Ir2 O12",
"formula_reduced": "NaCa3IrO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.6639547599999998,
"spacegroup": 167
},
{
"id": "jvasp-54741",
"created_at": "2022-09-04T14:37:35.638220Z",
"updated_at": "2022-09-04T14:37:35.638245Z",
"structure_string": "Sr2 H8 O12\n1.0\n3.640143 4.727629 0.400017\n-3.640143 4.727629 -0.400017\n0.215543 0.000000 6.083840\nSr H O\n2 8 12\ndirect\n0.816545 0.814592 0.768609 Sr\n0.185408 0.183455 0.268609 Sr\n-0.086264 0.614503 0.240293 H\n0.704167 0.012666 0.292648 H\n-0.012666 0.295833 0.792648 H\n0.385496 0.086263 0.740294 H\n0.669096 0.392573 0.105607 H\n0.607427 0.330904 0.605607 H\n0.338863 0.729822 0.432534 H\n0.270178 0.661137 0.932534 H\n0.432540 0.167142 0.594129 O\n0.051633 0.438162 0.949512 O\n0.377738 0.944220 0.907188 O\n0.746970 0.400321 0.596075 O\n0.599680 0.253030 0.096075 O\n0.235850 0.729912 0.313385 O\n0.270088 0.764150 0.813385 O\n0.928343 0.201926 0.653568 O\n0.798074 0.071657 0.153568 O\n0.832859 0.567459 0.094129 O\n0.055780 0.622262 0.407188 O\n0.561839 0.948367 0.449512 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 2.9877752329821616,
"density_atomic": 0.10547443321760325,
"volume": 208.58135311912054,
"volume_molar": 5.709573947248222,
"formula_full": "Sr2 H8 O12",
"formula_reduced": "Sr(H2O3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.570408846363636,
"spacegroup": 9
},
{
"id": "jvasp-51985",
"created_at": "2022-09-04T14:37:36.782249Z",
"updated_at": "2022-09-04T14:37:36.782275Z",
"structure_string": "Rb6 Ni2 F14\n1.0\n7.932570 -0.000000 0.000000\n0.000000 7.932570 -0.000000\n-0.000000 -0.000000 5.883701\nRb Ni F\n6 2 14\ndirect\n0.187823 0.687823 0.500000 Rb\n0.687823 0.812177 0.500000 Rb\n0.312177 0.187823 0.500000 Rb\n0.812177 0.312177 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.338863 0.161137 0.000000 F\n0.838863 0.338863 0.000000 F\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.500000 F\n0.612899 0.112899 0.219516 F\n0.112899 0.387101 0.219516 F\n0.112899 0.387101 0.780484 F\n0.387101 0.887101 0.219516 F\n0.887101 0.612899 0.780484 F\n0.661137 0.838863 0.000000 F\n0.612899 0.112899 0.780484 F\n0.387101 0.887101 0.780484 F\n0.887101 0.612899 0.219516 F\n0.161137 0.661137 0.000000 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Rb",
"Ni",
"F"
],
"chemical_system": "F-Ni-Rb",
"density": 4.019404194198394,
"density_atomic": 0.059421588843369635,
"volume": 370.23580870565695,
"volume_molar": 10.134600701899545,
"formula_full": "Rb6 Ni2 F14",
"formula_reduced": "Rb3NiF7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 0.0,
"spacegroup": 127
}
]
}