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=408",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=406",
"results": [
{
"id": "jvasp-88649",
"created_at": "2022-09-04T14:35:43.123850Z",
"updated_at": "2022-09-04T14:35:43.123869Z",
"structure_string": "As2 S6 Cl6 F12\n1.0\n7.006385 -0.178899 2.746323\n3.075618 6.994685 1.171989\n-0.065731 0.182721 9.922130\nAs S Cl F\n2 6 6 12\ndirect\n0.954187 0.740301 0.254116 As\n0.045812 0.259700 0.745884 As\n0.523625 0.302263 0.392267 S\n0.737611 0.834589 0.927414 S\n0.262389 0.165411 0.072586 S\n0.476375 0.697738 0.607733 S\n0.488122 0.236415 0.973165 S\n0.511878 0.763586 0.026835 S\n0.661083 0.278803 0.534382 Cl\n0.201901 0.159781 0.296316 Cl\n0.798099 0.840219 0.703684 Cl\n0.724828 0.323069 0.200916 Cl\n0.275171 0.676931 0.799084 Cl\n0.338917 0.721197 0.465618 Cl\n0.793418 0.399592 0.739521 F\n0.054104 0.888145 0.119063 F\n0.945896 0.111856 0.880936 F\n0.917922 0.885765 0.389962 F\n0.082077 0.114235 0.610038 F\n0.852861 0.591726 0.389001 F\n0.147139 0.408275 0.610999 F\n0.006852 0.406200 0.882072 F\n0.297073 0.119001 0.752087 F\n0.206581 0.600409 0.260478 F\n-0.006852 0.593801 0.117928 F\n0.702926 0.881000 0.247913 F\n",
"nsites": 26,
"nelements": 4,
"elements": [
"As",
"S",
"Cl",
"F"
],
"chemical_system": "As-Cl-F-S",
"density": 2.6368989344626836,
"density_atomic": 0.052734358830220554,
"volume": 493.0371882155158,
"volume_molar": 11.41976672057096,
"formula_full": "As2 S6 Cl6 F12",
"formula_reduced": "AsS3(ClF2)3",
"formula_anonymous": "AB3C3D6",
"energy_above_hull": 0.6082158190384611,
"spacegroup": 2
},
{
"id": "jvasp-13040",
"created_at": "2022-09-04T14:38:03.693359Z",
"updated_at": "2022-09-04T14:38:03.693372Z",
"structure_string": "Na8 Sn2 S8\n1.0\n7.824596 0.000000 0.000000\n0.000000 7.824596 -0.000000\n-0.000000 0.000000 6.971859\nNa Sn S\n8 2 8\ndirect\n0.196782 0.409591 0.030826 Na\n0.590410 0.196782 0.969174 Na\n0.409591 0.803219 0.969174 Na\n0.803219 0.590410 0.030826 Na\n0.696782 0.090409 0.469174 Na\n0.303218 0.909591 0.469174 Na\n0.909591 0.696782 0.530826 Na\n0.090409 0.303218 0.530826 Na\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.257941 0.595884 0.690693 S\n0.742059 0.404116 0.690693 S\n0.095884 0.757941 0.190693 S\n0.242059 0.095884 0.809307 S\n0.757941 0.904116 0.809307 S\n0.904116 0.242059 0.190693 S\n0.595884 0.742059 0.309307 S\n0.404116 0.257941 0.309307 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Na",
"Sn",
"S"
],
"chemical_system": "Na-S-Sn",
"density": 2.637032488335148,
"density_atomic": 0.0421696564853343,
"volume": 426.8472048440805,
"volume_molar": 14.280744169908926,
"formula_full": "Na8 Sn2 S8",
"formula_reduced": "Na4SnS4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 0.559716411111111,
"spacegroup": 114
},
{
"id": "jvasp-47558",
"created_at": "2022-09-04T14:36:36.926598Z",
"updated_at": "2022-09-04T14:36:36.926615Z",
"structure_string": "Li5 V1 Si2 O8\n1.0\n3.650179 3.727624 0.020021\n-3.650179 3.727624 -0.020021\n0.036223 0.000000 6.243222\nLi V Si O\n5 1 2 8\ndirect\n0.170478 0.798840 0.487706 Li\n0.696721 0.696721 0.750000 Li\n0.329641 0.329641 0.250000 Li\n0.680297 0.680297 0.250000 Li\n0.798840 0.170478 0.012294 Li\n0.322655 0.322656 0.750000 V\n0.168830 0.818291 0.007279 Si\n0.818290 0.168830 0.492721 Si\n0.303928 0.696634 0.216387 O\n0.303306 0.691996 0.781623 O\n0.138770 0.220491 0.506233 O\n0.799881 0.859231 0.500154 O\n0.220490 0.138771 0.993767 O\n0.859231 0.799881 -0.000154 O\n0.691995 0.303307 0.718376 O\n0.696634 0.303928 0.283613 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 2.637183022148515,
"density_atomic": 0.09417784929915521,
"volume": 169.8913292145388,
"volume_molar": 6.394434365209081,
"formula_full": "Li5 V1 Si2 O8",
"formula_reduced": "Li5V(SiO4)2",
"formula_anonymous": "AB2C5D8",
"energy_above_hull": 2.4424330875,
"spacegroup": 5
},
{
"id": "jvasp-94803",
"created_at": "2022-09-04T14:35:58.412089Z",
"updated_at": "2022-09-04T14:35:58.412121Z",
"structure_string": "Ba1 Mg6 Fe1\n1.0\n7.919457 -0.994347 0.000000\n-4.820858 6.361277 0.000000\n0.000000 0.000000 4.682530\nBa Mg Fe\n1 6 1\ndirect\n0.279797 0.220203 0.750000 Ba\n0.208070 0.804244 0.250000 Mg\n0.695757 0.291930 0.250000 Mg\n0.682601 0.817399 0.250000 Mg\n0.320517 0.673235 0.750000 Mg\n0.826765 0.179483 0.750000 Mg\n0.880336 0.619664 0.750000 Mg\n0.106159 0.393841 0.250000 Fe\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Fe"
],
"chemical_system": "Ba-Fe-Mg",
"density": 2.6372781568647907,
"density_atomic": 0.03747956717518276,
"volume": 213.44963677428032,
"volume_molar": 16.06779697281986,
"formula_full": "Ba1 Mg6 Fe1",
"formula_reduced": "BaMg6Fe",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"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-102425",
"created_at": "2022-09-04T14:36:49.689018Z",
"updated_at": "2022-09-04T14:36:49.689043Z",
"structure_string": "Rb3 Pr1 Cl6\n1.0\n7.065990 -0.000000 4.079551\n2.355330 6.661879 4.079551\n-0.000000 -0.000000 8.159102\nRb Pr Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Pr\n0.763093 0.236907 0.236906 Cl\n0.236906 0.236906 0.763092 Cl\n0.236906 0.763093 0.763092 Cl\n0.236906 0.763094 0.236906 Cl\n0.763093 0.236907 0.763093 Cl\n0.763094 0.763094 0.236906 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Pr",
"Cl"
],
"chemical_system": "Cl-Pr-Rb",
"density": 2.6374697856287086,
"density_atomic": 0.026036816287342394,
"volume": 384.07153507709876,
"volume_molar": 23.129328461435666,
"formula_full": "Rb3 Pr1 Cl6",
"formula_reduced": "Rb3PrCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-114161",
"created_at": "2022-09-04T14:38:39.885113Z",
"updated_at": "2022-09-04T14:38:39.885139Z",
"structure_string": "Ca1 Ge1 H1\n1.0\n3.260811 0.000000 -0.000000\n-0.000000 3.260811 0.000000\n-0.000000 -0.000000 6.733648\nCa Ge H\n1 1 1\ndirect\n0.000000 0.000000 0.313561 Ca\n0.000000 0.000000 0.742060 Ge\n0.000000 0.000000 -0.019223 H\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Ge",
"H"
],
"chemical_system": "Ca-Ge-H",
"density": 2.6375880584383715,
"density_atomic": 0.04190053709901221,
"volume": 71.59812755886425,
"volume_molar": 14.372466743730524,
"formula_full": "Ca1 Ge1 H1",
"formula_reduced": "CaGeH",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9804654566666666,
"spacegroup": 99
},
{
"id": "jvasp-105617",
"created_at": "2022-09-04T14:35:53.221204Z",
"updated_at": "2022-09-04T14:35:53.221222Z",
"structure_string": "K2 Rb1 Lu1 Cl6\n1.0\n6.831606 0.000000 3.944230\n2.277202 6.440900 3.944230\n-0.000000 -0.000000 7.888458\nK Rb Lu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Lu\n0.770791 0.229209 0.229209 Cl\n0.229210 0.229209 0.770791 Cl\n0.229209 0.770791 0.770791 Cl\n0.229209 0.770791 0.229210 Cl\n0.770791 0.229209 0.770791 Cl\n0.770791 0.770791 0.229209 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Lu",
"Cl"
],
"chemical_system": "Cl-K-Lu-Rb",
"density": 2.637633915335344,
"density_atomic": 0.028809685322934247,
"volume": 347.1054920561523,
"volume_molar": 20.90318131731211,
"formula_full": "K2 Rb1 Lu1 Cl6",
"formula_reduced": "K2RbLuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-74956",
"created_at": "2022-09-04T14:35:58.156736Z",
"updated_at": "2022-09-04T14:35:58.156761Z",
"structure_string": "Be2 Si1 P1\n1.0\n3.209629 0.000000 0.000000\n0.000000 3.209629 0.000000\n0.000000 0.000000 4.710019\nBe Si P\n2 1 1\ndirect\n0.000000 -0.000000 0.751461 Be\n0.000000 -0.000000 0.248540 Be\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Si",
"P"
],
"chemical_system": "Be-P-Si",
"density": 2.6380249779665723,
"density_atomic": 0.08243804073877194,
"volume": 48.52128900873715,
"volume_molar": 7.3050508066813995,
"formula_full": "Be2 Si1 P1",
"formula_reduced": "Be2SiP",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.565459075,
"spacegroup": 123
},
{
"id": "jvasp-91873",
"created_at": "2022-09-04T14:36:17.411952Z",
"updated_at": "2022-09-04T14:36:17.411979Z",
"structure_string": "Mg7 Sb1\n1.0\n6.362579 -0.000000 0.000000\n-3.181290 5.510155 -0.000000\n0.000000 -0.000000 5.240611\nMg Sb\n7 1\ndirect\n0.164529 0.832263 0.250000 Mg\n0.667736 0.335470 0.250000 Mg\n0.667736 0.832263 0.250000 Mg\n0.336842 0.163158 0.750000 Mg\n0.336841 0.673685 0.750000 Mg\n0.826315 0.163158 0.750000 Mg\n0.833333 0.666666 0.750000 Mg\n0.166667 0.333333 0.250000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 2.6381338462832455,
"density_atomic": 0.043542269299654164,
"volume": 183.72951453091903,
"volume_molar": 13.830562478395748,
"formula_full": "Mg7 Sb1",
"formula_reduced": "Mg7Sb",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-44648",
"created_at": "2022-09-04T14:38:11.461343Z",
"updated_at": "2022-09-04T14:38:11.461368Z",
"structure_string": "K4 V2 P2 C2 O14\n1.0\n0.000000 5.548748 -0.058899\n6.670525 0.000000 0.000000\n0.000000 -0.080823 -9.661845\nK V P C O\n4 2 2 2 14\ndirect\n0.244198 0.475410 0.240853 K\n0.244198 0.024590 0.240853 K\n0.755803 0.524591 0.759147 K\n0.755803 0.975410 0.759147 K\n0.775680 0.750001 0.358163 V\n0.224321 0.250000 0.641837 V\n0.722187 0.250000 0.432759 P\n0.277814 0.750001 0.567240 P\n0.725686 0.750001 0.102783 C\n0.274315 0.250000 0.897216 C\n0.453166 0.250000 0.806133 O\n0.229981 0.940446 0.655130 O\n0.229981 0.559555 0.655130 O\n0.890490 0.250000 0.561091 O\n0.547369 0.750001 0.520627 O\n0.452631 0.250000 0.479373 O\n0.936182 0.750001 0.165519 O\n0.770020 0.440446 0.344870 O\n0.770020 0.059555 0.344870 O\n0.546835 0.750001 0.193867 O\n0.063819 0.250000 0.834481 O\n0.303733 0.250000 0.024844 O\n0.109511 0.750001 0.438909 O\n0.696268 0.750001 0.975156 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"K",
"V",
"P",
"C",
"O"
],
"chemical_system": "C-K-O-P-V",
"density": 2.638303479478798,
"density_atomic": 0.06710541964834948,
"volume": 357.6462247873045,
"volume_molar": 8.97414961646562,
"formula_full": "K4 V2 P2 C2 O14",
"formula_reduced": "K2VPCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.708373349999999,
"spacegroup": 11
},
{
"id": "jvasp-58373",
"created_at": "2022-09-04T14:37:17.746531Z",
"updated_at": "2022-09-04T14:37:17.746550Z",
"structure_string": "Na1 Al1 F4\n1.0\n3.595049 0.000000 0.000000\n0.000000 3.595049 -0.000000\n0.000000 0.000000 6.132554\nNa Al F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 F\n0.000000 0.500000 0.500000 F\n0.500000 0.500000 0.205984 F\n0.500000 0.500000 0.794015 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Al",
"F"
],
"chemical_system": "Al-F-Na",
"density": 2.6390505295074678,
"density_atomic": 0.07570076024885895,
"volume": 79.259441784674,
"volume_molar": 7.955191916438875,
"formula_full": "Na1 Al1 F4",
"formula_reduced": "NaAlF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0215899999999999,
"spacegroup": 123
}
]
}