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=3614",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3612",
"results": [
{
"id": "jvasp-121090",
"created_at": "2022-09-04T14:38:52.845499Z",
"updated_at": "2022-09-04T14:38:52.845520Z",
"structure_string": "Nb1 H2 O1\n1.0\n-1.461462 4.286335 1.956255\n1.461462 -4.286335 1.956255\n1.461462 4.286335 -1.956255\nNb H O\n1 2 1\ndirect\n0.529280 0.029281 0.499999 Nb\n0.332977 0.486239 0.846738 H\n0.639500 0.486239 0.153261 H\n0.004816 0.504815 0.499999 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"H",
"O"
],
"chemical_system": "H-Nb-O",
"density": 3.757563802764953,
"density_atomic": 0.08160201765011947,
"volume": 49.018395809164694,
"volume_molar": 7.379891984804597,
"formula_full": "Nb1 H2 O1",
"formula_reduced": "NbH2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.086135724999999,
"spacegroup": 44
},
{
"id": "jvasp-32986",
"created_at": "2022-09-04T14:38:04.918218Z",
"updated_at": "2022-09-04T14:38:04.918234Z",
"structure_string": "I2 F14\n1.0\n5.257144 0.012347 -0.000000\n-1.839535 4.924817 0.000000\n0.000000 0.000000 8.864401\nI F\n2 14\ndirect\n0.632900 0.632901 0.000000 I\n0.132900 0.132900 0.500000 I\n0.906324 0.541899 0.895711 F\n0.796498 0.957323 0.399203 F\n0.296498 0.457323 0.100797 F\n0.268906 0.018666 0.330204 F\n0.018666 0.268906 0.669796 F\n0.518666 0.768907 0.830204 F\n0.768906 0.518667 0.169796 F\n0.041898 0.406325 0.395711 F\n0.949286 0.949286 0.000000 F\n0.457324 0.296498 0.899203 F\n0.449286 0.449286 0.500000 F\n0.406324 0.041898 0.604289 F\n0.541899 0.906325 0.104289 F\n0.957324 0.796499 0.600797 F\n",
"nsites": 16,
"nelements": 2,
"elements": [
"I",
"F"
],
"chemical_system": "F-I",
"density": 3.757543148778619,
"density_atomic": 0.0696545987857542,
"volume": 229.7048619749186,
"volume_molar": 8.64571882543332,
"formula_full": "I2 F14",
"formula_reduced": "IF7",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 41
},
{
"id": "jvasp-11390",
"created_at": "2022-09-04T14:38:31.534450Z",
"updated_at": "2022-09-04T14:38:31.534470Z",
"structure_string": "Rb4 As6\n1.0\n6.409408 -0.101042 -2.330150\n-1.666902 6.189682 -2.330150\n0.036262 0.046555 8.818333\nRb As\n4 6\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.749999 0.500000 Rb\n0.259456 0.740544 -0.000000 Rb\n0.740545 0.259456 0.000000 Rb\n0.686041 0.686041 0.839504 As\n0.846536 0.846536 0.160495 As\n0.313959 0.313958 0.160495 As\n0.153464 0.153464 0.839504 As\n0.838803 0.838802 0.677606 As\n0.161197 0.161197 0.322393 As\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Rb",
"As"
],
"chemical_system": "As-Rb",
"density": 3.757241919476363,
"density_atomic": 0.028590620222115684,
"volume": 349.7650600900468,
"volume_molar": 21.0633442479212,
"formula_full": "Rb4 As6",
"formula_reduced": "Rb2As3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.104339483333333,
"spacegroup": 69
},
{
"id": "jvasp-65246",
"created_at": "2022-09-04T14:36:20.208079Z",
"updated_at": "2022-09-04T14:36:20.208112Z",
"structure_string": "Be1 Cu1 Br4\n1.0\n-0.000000 4.425340 4.425340\n4.425340 -0.000000 4.425340\n4.425340 4.425340 -0.000000\nBe Cu Br\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Cu\n0.125548 0.624817 0.624817 Br\n0.624817 0.624817 0.624817 Br\n0.624817 0.125548 0.624817 Br\n0.624817 0.624817 0.125548 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Br"
],
"chemical_system": "Be-Br-Cu",
"density": 3.757146861572004,
"density_atomic": 0.034616354114098094,
"volume": 173.32847879425864,
"volume_molar": 17.39680828359501,
"formula_full": "Be1 Cu1 Br4",
"formula_reduced": "BeCuBr4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3790771616666666,
"spacegroup": 216
},
{
"id": "jvasp-110657",
"created_at": "2022-09-04T14:38:36.986323Z",
"updated_at": "2022-09-04T14:38:36.986347Z",
"structure_string": "Na2 In1 Cu1 F6\n1.0\n5.159663 -0.000000 2.978933\n1.719888 4.864577 2.978933\n-0.000000 -0.000000 5.957866\nNa In Cu F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.749692 0.250308 0.250308 F\n0.250308 0.250308 0.749693 F\n0.250308 0.749693 0.749692 F\n0.250308 0.749693 0.250307 F\n0.749692 0.250308 0.749692 F\n0.749692 0.749693 0.250307 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"In",
"Cu",
"F"
],
"chemical_system": "Cu-F-In-Na",
"density": 3.7569683494841275,
"density_atomic": 0.0668717748258844,
"volume": 149.53992212764254,
"volume_molar": 9.00550460292102,
"formula_full": "Na2 In1 Cu1 F6",
"formula_reduced": "Na2InCuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-21798",
"created_at": "2022-09-04T14:38:18.997916Z",
"updated_at": "2022-09-04T14:38:18.997931Z",
"structure_string": "Ba1 Al9 Ni2\n1.0\n3.990508 -6.911762 -0.000000\n3.990508 6.911762 0.000000\n0.000000 -0.000000 3.986589\nBa Al Ni\n1 9 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.574133 0.787066 0.500000 Al\n0.787066 0.212934 0.500000 Al\n0.787066 0.574133 0.500000 Al\n0.212934 0.425868 0.500000 Al\n0.212934 0.787066 0.500000 Al\n0.425868 0.212934 0.500000 Al\n0.666667 0.333333 0.000000 Ni\n0.333333 0.666667 0.000000 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Ni"
],
"chemical_system": "Al-Ba-Ni",
"density": 3.756949468336715,
"density_atomic": 0.05456734522431076,
"volume": 219.91174301537723,
"volume_molar": 11.03616226012957,
"formula_full": "Ba1 Al9 Ni2",
"formula_reduced": "BaAl9Ni2",
"formula_anonymous": "AB2C9",
"energy_above_hull": 1.6968613308333336,
"spacegroup": 191
},
{
"id": "jvasp-7127",
"created_at": "2022-09-04T14:38:33.515439Z",
"updated_at": "2022-09-04T14:38:33.515463Z",
"structure_string": "H6 Pb1 C1 Br3 N1\n1.0\n5.959283 0.000191 0.114473\n0.000187 5.902963 -0.000272\n0.114993 -0.000266 6.020397\nH Pb C Br N\n6 1 1 3 1\ndirect\n0.943208 0.999908 0.768066 H\n0.813533 0.152762 -0.002797 H\n0.813505 0.847178 -0.002771 H\n0.221456 0.142931 0.020897 H\n0.221445 0.856909 0.020903 H\n0.104300 0.999957 0.234232 H\n0.479531 0.499954 0.490891 Pb\n0.907636 -0.000054 0.948020 C\n0.435197 0.499934 0.986900 Br\n0.442577 -0.000051 0.526989 Br\n0.969635 0.499931 0.441803 Br\n0.125954 0.999935 0.062655 N\n",
"nsites": 12,
"nelements": 5,
"elements": [
"H",
"Pb",
"C",
"Br",
"N"
],
"chemical_system": "Br-C-H-N-Pb",
"density": 3.7569374759842153,
"density_atomic": 0.05668281631549115,
"volume": 211.70437144846764,
"volume_molar": 10.624279369749976,
"formula_full": "H6 Pb1 C1 Br3 N1",
"formula_reduced": "H6PbCBr3N",
"formula_anonymous": "ABCD3E6",
"energy_above_hull": 2.665093032083333,
"spacegroup": 6
},
{
"id": "jvasp-35176",
"created_at": "2022-09-04T14:38:06.184609Z",
"updated_at": "2022-09-04T14:38:06.184625Z",
"structure_string": "Mg4 Si2 O8\n1.0\n2.789760 -0.000000 -0.000000\n-1.394880 4.725107 0.000000\n0.000000 0.000000 9.434973\nMg Si O\n4 2 8\ndirect\n0.138539 0.277078 0.853658 Mg\n0.861461 0.722923 0.353658 Mg\n0.609285 0.218569 0.185059 Mg\n0.390715 0.781431 0.685059 Mg\n0.126993 0.253986 0.499298 Si\n0.873007 0.746015 0.999298 Si\n0.494197 0.988395 0.937628 O\n0.505803 0.011605 0.437628 O\n0.251724 0.503447 0.045871 O\n0.748276 0.496554 0.545870 O\n0.794212 0.588424 0.826396 O\n0.205788 0.411576 0.326396 O\n0.044672 0.089343 0.662889 O\n0.955328 0.910658 0.162890 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.756926855645451,
"density_atomic": 0.11256642756665262,
"volume": 124.37100743656758,
"volume_molar": 5.349855094614405,
"formula_full": "Mg4 Si2 O8",
"formula_reduced": "Mg2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.396152957142857,
"spacegroup": 36
},
{
"id": "jvasp-118381",
"created_at": "2022-09-04T14:38:50.948073Z",
"updated_at": "2022-09-04T14:38:50.948103Z",
"structure_string": "Ga1 P2\n1.0\n5.478487 0.000000 0.000000\n0.000000 4.151641 0.000000\n0.000000 0.000000 2.559253\nGa P\n1 2\ndirect\n0.000000 0.424012 0.000000 Ga\n0.303190 0.923993 0.000000 P\n0.696811 0.923993 0.000000 P\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ga",
"P"
],
"chemical_system": "Ga-P",
"density": 3.7561593872651904,
"density_atomic": 0.05153800532059102,
"volume": 58.209470493445885,
"volume_molar": 11.68485416255326,
"formula_full": "Ga1 P2",
"formula_reduced": "GaP2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6779211083333343,
"spacegroup": 47
},
{
"id": "jvasp-110232",
"created_at": "2022-09-04T14:38:16.254825Z",
"updated_at": "2022-09-04T14:38:16.254843Z",
"structure_string": "K3 Sn1 Sb3\n1.0\n9.069327 0.011372 0.850196\n8.020735 4.233277 0.850196\n-0.024106 -0.005987 6.938617\nK Sn Sb\n3 1 3\ndirect\n0.001933 0.001933 0.996334 K\n0.706057 0.706057 0.751704 K\n0.288979 0.288979 0.255730 K\n0.086964 0.086964 0.511227 Sn\n0.369760 0.369759 0.752542 Sb\n0.625670 0.625670 0.240699 Sb\n0.920634 0.920635 0.491769 Sb\n",
"nsites": 7,
"nelements": 3,
"elements": [
"K",
"Sn",
"Sb"
],
"chemical_system": "K-Sb-Sn",
"density": 3.7556718201661723,
"density_atomic": 0.026330328684547835,
"volume": 265.8531188069827,
"volume_molar": 22.8714986134379,
"formula_full": "K3 Sn1 Sb3",
"formula_reduced": "K3SnSb3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.4010132446428573,
"spacegroup": 8
},
{
"id": "jvasp-121152",
"created_at": "2022-09-04T14:38:54.459007Z",
"updated_at": "2022-09-04T14:38:54.459033Z",
"structure_string": "Rb1 In1 S2\n1.0\n3.789312 -0.000000 -0.000000\n-0.000000 3.789312 0.000000\n-0.000000 0.000000 8.142255\nRb In S\n1 1 2\ndirect\n0.500000 0.500000 0.574689 Rb\n0.000000 0.000000 0.079829 In\n0.000000 0.000000 0.374409 S\n0.500000 0.500000 0.981075 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"In",
"S"
],
"chemical_system": "In-Rb-S",
"density": 3.7555285694610783,
"density_atomic": 0.03421326816523335,
"volume": 116.91370671407235,
"volume_molar": 17.601769965137517,
"formula_full": "Rb1 In1 S2",
"formula_reduced": "RbInS2",
"formula_anonymous": "ABC2",
"energy_above_hull": null,
"spacegroup": 99
},
{
"id": "jvasp-116774",
"created_at": "2022-09-04T14:38:50.170914Z",
"updated_at": "2022-09-04T14:38:50.170940Z",
"structure_string": "V2 Ni2 P4 O16\n1.0\n4.760178 0.069205 0.000180\n0.014430 9.725201 -0.003740\n-0.000297 0.002207 5.722897\nV Ni P O\n2 2 4 16\ndirect\n0.545807 0.770411 0.250002 V\n0.454191 0.229589 0.749997 V\n0.940447 0.269632 0.250003 Ni\n0.059553 0.730367 0.750000 Ni\n0.410293 0.090255 0.249997 P\n0.589707 0.909745 0.750002 P\n0.871956 0.410405 0.750001 P\n0.128043 0.589594 0.250001 P\n0.717728 0.332635 0.543619 O\n0.717736 0.332628 0.956376 O\n0.736917 0.835784 0.963750 O\n0.736916 0.835781 0.536258 O\n0.263081 0.164219 0.463740 O\n0.263085 0.164216 0.036249 O\n0.826041 0.562816 0.750013 O\n0.274500 0.898881 0.749998 O\n0.813371 0.628538 0.250004 O\n0.186630 0.371463 0.749996 O\n0.282267 0.667368 0.043624 O\n0.725500 0.101118 0.250002 O\n0.331820 0.935262 0.249996 O\n0.668180 0.064738 0.749998 O\n0.173961 0.437184 0.250000 O\n0.282269 0.667367 0.456381 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"V",
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P-V",
"density": 3.75543335900744,
"density_atomic": 0.09059053747174897,
"volume": 264.9283321393749,
"volume_molar": 6.647648781063948,
"formula_full": "V2 Ni2 P4 O16",
"formula_reduced": "VNi(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.9439854666666667,
"spacegroup": 11
}
]
}