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=density&page=1021",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1019",
"results": [
{
"id": "jvasp-116119",
"created_at": "2022-09-04T14:38:40.803317Z",
"updated_at": "2022-09-04T14:38:40.803341Z",
"structure_string": "Rb1 Ge1 S1\n1.0\n5.439433 0.000000 -0.000000\n-2.719716 4.710687 0.000000\n0.000000 -0.000000 3.295685\nRb Ge S\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Rb\n0.000000 0.000000 0.000000 Ge\n0.666666 0.333334 0.000000 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Ge",
"S"
],
"chemical_system": "Ge-Rb-S",
"density": 3.7395033154108615,
"density_atomic": 0.035525293857491584,
"volume": 84.44687360038147,
"volume_molar": 16.951698652114175,
"formula_full": "Rb1 Ge1 S1",
"formula_reduced": "RbGeS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5697053166666667,
"spacegroup": 187
},
{
"id": "jvasp-119427",
"created_at": "2022-09-04T14:38:51.341632Z",
"updated_at": "2022-09-04T14:38:51.341666Z",
"structure_string": "Nb4 F20\n1.0\n8.586648 0.147882 -0.086592\n-3.098720 8.009389 -0.086592\n-0.133850 -0.198955 4.824370\nNb F\n4 20\ndirect\n0.743240 0.743239 0.097006 Nb\n0.256761 0.256761 0.902994 Nb\n0.797545 0.202455 0.500000 Nb\n0.202455 0.797545 0.500000 Nb\n0.827021 0.405245 0.688189 F\n0.594755 0.172979 0.311812 F\n0.072982 0.702067 0.802090 F\n0.297933 0.927018 0.197911 F\n0.927018 0.297933 0.197911 F\n0.702066 0.072982 0.802090 F\n0.972342 0.790975 0.325238 F\n0.209025 0.027658 0.674763 F\n0.027658 0.209026 0.674763 F\n0.734440 0.532710 0.206049 F\n0.405245 0.827021 0.688189 F\n0.467290 0.265561 0.793951 F\n0.265560 0.467290 0.793951 F\n0.532711 0.734440 0.206049 F\n0.364144 0.364144 0.244105 F\n0.635856 0.635856 0.755896 F\n0.115586 0.115586 0.148731 F\n0.884414 0.884414 0.851270 F\n0.790975 0.972342 0.325238 F\n0.172979 0.594755 0.311812 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Nb",
"F"
],
"chemical_system": "F-Nb",
"density": 3.739941234426726,
"density_atomic": 0.07191903614428677,
"volume": 333.7085879717613,
"volume_molar": 8.37350037327829,
"formula_full": "Nb4 F20",
"formula_reduced": "NbF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.3681368020833331,
"spacegroup": 12
},
{
"id": "jvasp-5158",
"created_at": "2022-09-04T14:37:36.421051Z",
"updated_at": "2022-09-04T14:37:36.421071Z",
"structure_string": "Mo2 Cl6\n1.0\n5.650047 0.038249 -0.923992\n-2.667817 4.980688 -0.923992\n0.031422 0.052883 6.340648\nMo Cl\n2 6\ndirect\n0.133397 0.866603 0.000000 Mo\n0.866603 0.133398 0.000000 Mo\n0.254874 0.254874 0.281278 Cl\n0.745126 0.745126 0.718723 Cl\n0.092055 0.432442 0.780162 Cl\n0.567557 0.907944 0.219838 Cl\n0.907944 0.567558 0.219838 Cl\n0.432442 0.092056 0.780163 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mo",
"Cl"
],
"chemical_system": "Cl-Mo",
"density": 3.7401948374564995,
"density_atomic": 0.044536018050058905,
"volume": 179.62988947525403,
"volume_molar": 13.52195598904028,
"formula_full": "Mo2 Cl6",
"formula_reduced": "MoCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.337929525625,
"spacegroup": 12
},
{
"id": "jvasp-112764",
"created_at": "2022-09-04T14:38:43.616542Z",
"updated_at": "2022-09-04T14:38:43.616550Z",
"structure_string": "Mg2 Co2 F10\n1.0\n4.786126 0.008383 1.759759\n1.001834 4.680107 1.759759\n-0.023392 -0.018948 7.053535\nMg Co F\n2 2 10\ndirect\n0.534566 0.465434 0.750000 Mg\n0.465435 0.534565 0.250000 Mg\n0.000000 0.000000 0.000000 Co\n0.000000 -0.000000 0.500000 Co\n0.102090 0.897910 0.250000 F\n0.897910 0.102090 0.749999 F\n0.199851 0.285130 0.367184 F\n0.714870 0.800150 0.132816 F\n0.722582 0.327452 0.032464 F\n0.672548 0.277418 0.467536 F\n0.277418 0.672547 0.967535 F\n0.327452 0.722582 0.532464 F\n0.285130 0.199850 0.867184 F\n0.800150 0.714870 0.632815 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Co",
"F"
],
"chemical_system": "Co-F-Mg",
"density": 3.7402586590311375,
"density_atomic": 0.08846454707891699,
"volume": 158.25548722372312,
"volume_molar": 6.807405857883159,
"formula_full": "Mg2 Co2 F10",
"formula_reduced": "MgCoF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-115047",
"created_at": "2022-09-04T14:38:44.292512Z",
"updated_at": "2022-09-04T14:38:44.292533Z",
"structure_string": "Sr1 Ge1 S2\n1.0\n4.108287 0.000000 0.000000\n0.000000 4.108287 0.000000\n0.000000 -0.000000 5.902366\nSr Ge S\n1 1 2\ndirect\n0.500000 0.500000 0.508246 Sr\n0.000000 0.000000 0.040984 Ge\n0.000000 0.000000 0.450959 S\n0.500000 0.500000 0.009811 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"S"
],
"chemical_system": "Ge-S-Sr",
"density": 3.740286840683323,
"density_atomic": 0.040152473541877384,
"volume": 99.62026363900505,
"volume_molar": 14.998181254559954,
"formula_full": "Sr1 Ge1 S2",
"formula_reduced": "SrGeS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6743555649999998,
"spacegroup": 99
},
{
"id": "jvasp-52304",
"created_at": "2022-09-04T14:37:06.244374Z",
"updated_at": "2022-09-04T14:37:06.244407Z",
"structure_string": "Li4 Cu4 F10\n1.0\n5.519639 0.138512 0.000323\n0.142053 5.519549 -0.000323\n1.505320 -1.506286 6.881750\nLi Cu F\n4 4 10\ndirect\n0.262748 0.279708 0.021229 Li\n0.279708 0.262748 0.478771 Li\n0.720292 0.737252 0.521229 Li\n0.737252 0.720291 0.978771 Li\n0.191831 0.795961 0.119625 Cu\n0.204039 0.808169 0.619625 Cu\n0.795961 0.191830 0.380375 Cu\n0.808169 0.204038 0.880375 Cu\n0.721612 0.061640 0.120251 F\n0.500000 0.500000 0.500000 F\n0.500000 -0.000001 0.500000 F\n0.278387 0.938359 0.879749 F\n-0.000000 0.500000 0.000000 F\n0.169901 0.169901 0.250000 F\n0.061640 0.721612 0.379749 F\n0.830098 0.830098 0.750000 F\n0.500000 0.500000 0.000000 F\n0.938360 0.278387 0.620251 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 3.7403081232735884,
"density_atomic": 0.08591150604804941,
"volume": 209.51791940340084,
"volume_molar": 7.009702235497862,
"formula_full": "Li4 Cu4 F10",
"formula_reduced": "Li2Cu2F5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 0.2512311111111115,
"spacegroup": 15
},
{
"id": "jvasp-36235",
"created_at": "2022-09-04T14:37:11.445859Z",
"updated_at": "2022-09-04T14:37:11.445878Z",
"structure_string": "Sr1 C2\n1.0\n2.491174 1.438280 2.305371\n-2.491174 1.438280 2.305371\n0.000000 -2.876560 2.305371\nSr C\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.591117 0.591117 0.591117 C\n0.408883 0.408883 0.408883 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sr",
"C"
],
"chemical_system": "C-Sr",
"density": 3.740544203363458,
"density_atomic": 0.060531533246917395,
"volume": 49.56094516493644,
"volume_molar": 9.948766266062956,
"formula_full": "Sr1 C2",
"formula_reduced": "SrC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.388992103333332,
"spacegroup": 166
},
{
"id": "jvasp-52150",
"created_at": "2022-09-04T14:37:19.863268Z",
"updated_at": "2022-09-04T14:37:19.863294Z",
"structure_string": "K1 Y3 F10\n1.0\n6.044077 -0.197601 -0.197601\n-0.197601 6.044077 -0.197601\n-0.197601 -0.197601 6.044077\nK Y F\n1 3 10\ndirect\n0.057446 0.057446 0.057446 K\n0.520219 0.009281 0.520219 Y\n0.520219 0.520219 0.009281 Y\n0.009281 0.520219 0.520219 Y\n0.176292 0.465382 0.852104 F\n0.176292 0.852104 0.465382 F\n0.340436 0.340436 0.340436 F\n0.465382 0.176292 0.852104 F\n0.465382 0.852104 0.176292 F\n0.472756 0.760045 0.760045 F\n0.852104 0.176292 0.465382 F\n0.852104 0.465382 0.176292 F\n0.760045 0.472756 0.760045 F\n0.760045 0.760045 0.472756 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"Y",
"F"
],
"chemical_system": "F-K-Y",
"density": 3.741026903647531,
"density_atomic": 0.06361555941616198,
"volume": 220.07194668232694,
"volume_molar": 9.466458858915628,
"formula_full": "K1 Y3 F10",
"formula_reduced": "KY3F10",
"formula_anonymous": "AB3C10",
"energy_above_hull": 0.3785519138095237,
"spacegroup": 160
},
{
"id": "jvasp-22622",
"created_at": "2022-09-04T14:36:06.110281Z",
"updated_at": "2022-09-04T14:36:06.110306Z",
"structure_string": "Al1 Fe1 F5\n1.0\n3.277706 -0.000000 1.205347\n1.334605 4.716507 1.430018\n-0.017163 0.034658 5.105885\nAl Fe F\n1 1 5\ndirect\n0.500002 0.500000 0.500001 Al\n0.000000 0.000000 0.000000 Fe\n0.500002 0.805218 0.194783 F\n0.500001 0.194783 0.805218 F\n0.743039 0.256962 0.256963 F\n0.256964 0.743039 0.743038 F\n0.000001 0.500000 0.500000 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Fe",
"F"
],
"chemical_system": "Al-F-Fe",
"density": 3.7412339200627036,
"density_atomic": 0.08869246597364433,
"volume": 78.9244038166681,
"volume_molar": 6.789912416900807,
"formula_full": "Al1 Fe1 F5",
"formula_reduced": "AlFeF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.327744244642857,
"spacegroup": 71
},
{
"id": "jvasp-96183",
"created_at": "2022-09-04T14:36:05.347792Z",
"updated_at": "2022-09-04T14:36:05.347822Z",
"structure_string": "K2 Zr2 Cu2 S6\n1.0\n3.758286 -0.000000 0.000000\n-1.879143 6.976026 -0.000000\n-0.000000 -0.000000 9.820820\nK Zr Cu S\n2 2 2 6\ndirect\n0.255366 0.510731 0.250000 K\n0.744636 0.489270 0.750000 K\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.535927 0.071852 0.250000 Cu\n0.464075 0.928148 0.750000 Cu\n0.935467 0.870932 0.250000 S\n0.064535 0.129068 0.750000 S\n0.376183 0.752365 0.552125 S\n0.376183 0.752365 0.947875 S\n0.623819 0.247636 0.052125 S\n0.623819 0.247636 0.447875 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Zr",
"Cu",
"S"
],
"chemical_system": "Cu-K-S-Zr",
"density": 3.7413316572694892,
"density_atomic": 0.046605328997581796,
"volume": 257.4812850397997,
"volume_molar": 12.921571179794633,
"formula_full": "K2 Zr2 Cu2 S6",
"formula_reduced": "KZrCuS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.364555491666667,
"spacegroup": 63
},
{
"id": "jvasp-50229",
"created_at": "2022-09-04T14:36:58.393852Z",
"updated_at": "2022-09-04T14:36:58.393861Z",
"structure_string": "Li2 Cu2 O2\n1.0\n3.381128 -0.000000 -0.000000\n-1.690565 4.614541 0.000000\n-0.000000 -0.000000 4.920509\nLi Cu O\n2 2 2\ndirect\n0.269210 0.538418 0.250000 Li\n0.730792 0.461582 0.750000 Li\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.150452 0.300904 0.750000 O\n0.849549 0.699096 0.250000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O",
"density": 3.7413364175028607,
"density_atomic": 0.07815397985522304,
"volume": 76.77152220673531,
"volume_molar": 7.7054818848070985,
"formula_full": "Li2 Cu2 O2",
"formula_reduced": "LiCuO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3755546500000002,
"spacegroup": 63
},
{
"id": "jvasp-107503",
"created_at": "2022-09-04T14:36:45.246156Z",
"updated_at": "2022-09-04T14:36:45.246177Z",
"structure_string": "Na2 Y1 F6\n1.0\n5.999059 -0.000000 0.000000\n-2.999529 5.195337 0.000000\n-0.000000 -0.000000 3.544107\nNa Y F\n2 1 6\ndirect\n0.333333 0.666667 0.500000 Na\n0.666667 0.333333 0.500000 Na\n0.000000 0.000000 0.000000 Y\n0.621001 0.000000 -0.000000 F\n0.000000 0.621001 -0.000000 F\n0.378999 0.378999 -0.000000 F\n0.250693 0.000000 0.500000 F\n0.000000 0.250693 0.500000 F\n0.749308 0.749308 0.500000 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Na",
"Y",
"F"
],
"chemical_system": "F-Na-Y",
"density": 3.7413479327551675,
"density_atomic": 0.0814777124558053,
"volume": 110.45965490110846,
"volume_molar": 7.391151001283323,
"formula_full": "Na2 Y1 F6",
"formula_reduced": "Na2YF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 189
}
]
}