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=-id&page=502",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=500",
"results": [
{
"id": "jvasp-8704",
"created_at": "2022-09-04T14:36:45.477840Z",
"updated_at": "2022-09-04T14:36:45.477865Z",
"structure_string": "Bi2 C1 O5\n1.0\n4.383873 0.000000 -1.191392\n-0.255800 3.451974 -0.941245\n-0.335293 0.137578 7.427444\nBi C O\n2 1 5\ndirect\n0.694727 0.694671 0.389454 Bi\n0.016407 0.016402 0.032814 Bi\n0.342399 0.342418 0.684798 C\n0.436619 0.436850 0.873237 O\n0.537744 0.294455 0.589085 O\n0.588093 0.088112 0.176187 O\n0.113999 0.613966 0.227997 O\n0.051342 0.294455 0.589085 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Bi",
"C",
"O"
],
"chemical_system": "Bi-C-O",
"density": 7.5859568045174495,
"density_atomic": 0.07166513177479972,
"volume": 111.63029777352777,
"volume_molar": 8.403167078411235,
"formula_full": "Bi2 C1 O5",
"formula_reduced": "Bi2CO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.7262007625,
"spacegroup": 44
},
{
"id": "jvasp-87039",
"created_at": "2022-09-04T14:35:42.820666Z",
"updated_at": "2022-09-04T14:35:42.820698Z",
"structure_string": "Ti5 Tl1 Se8\n1.0\n3.518450 0.000000 -0.671603\n-0.419659 8.902946 -2.198543\n0.005971 -0.008909 9.583449\nTi Tl Se\n5 1 8\ndirect\n0.500000 0.500000 0.000000 Ti\n0.153273 0.496029 0.306547 Ti\n0.208631 0.849783 0.417263 Ti\n0.791368 0.150217 0.582738 Ti\n0.846726 0.503972 0.693454 Ti\n0.000000 0.000000 0.000000 Tl\n0.926754 0.322846 0.853508 Se\n0.339408 -0.000279 0.678817 Se\n0.660591 0.000279 0.321183 Se\n0.741867 0.662485 0.483737 Se\n0.258132 0.337516 0.516264 Se\n0.413698 0.681795 0.827398 Se\n0.586301 0.318206 0.172603 Se\n0.073247 0.677154 0.146493 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Tl",
"Se"
],
"chemical_system": "Se-Ti-Tl",
"density": 5.949263011784148,
"density_atomic": 0.04664152714640665,
"volume": 300.16169830919836,
"volume_molar": 12.911542842704618,
"formula_full": "Ti5 Tl1 Se8",
"formula_reduced": "Ti5TlSe8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 2.533424371428571,
"spacegroup": 12
},
{
"id": "jvasp-87038",
"created_at": "2022-09-04T14:36:17.924268Z",
"updated_at": "2022-09-04T14:36:17.924292Z",
"structure_string": "Ba2 Zr2 F12\n1.0\n5.430218 0.000000 0.000000\n-0.000000 6.450863 -2.684855\n0.000000 -0.090230 6.986698\nBa Zr F\n2 2 12\ndirect\n0.432840 0.750000 0.250000 Ba\n0.567160 0.250000 0.750000 Ba\n0.000000 0.750000 0.750001 Zr\n0.000000 0.250000 0.250000 Zr\n0.752896 0.435315 0.180011 F\n0.752896 0.064684 0.319989 F\n0.247104 0.180011 0.435316 F\n0.247104 0.319989 0.064685 F\n0.834170 0.437481 0.562519 F\n0.834170 0.062519 0.937481 F\n0.165831 0.562519 0.437482 F\n0.165831 0.937481 0.062519 F\n0.752896 0.680010 0.935316 F\n0.752896 0.819989 0.564685 F\n0.247104 0.935315 0.680011 F\n0.247104 0.564684 0.819990 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"F"
],
"chemical_system": "Ba-F-Zr",
"density": 4.673322788130192,
"density_atomic": 0.06572847796915168,
"volume": 243.4256884437408,
"volume_molar": 9.162148502550703,
"formula_full": "Ba2 Zr2 F12",
"formula_reduced": "BaZrF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 67
},
{
"id": "jvasp-87037",
"created_at": "2022-09-04T14:36:14.581361Z",
"updated_at": "2022-09-04T14:36:14.581390Z",
"structure_string": "Ca1 Sn1 F6\n1.0\n5.204343 -0.000000 3.004729\n1.734781 4.906702 3.004729\n-0.000000 -0.000000 6.009457\nCa Sn F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500001 Sn\n0.265281 0.734719 0.734720 F\n0.265281 0.734719 0.265281 F\n0.734719 0.265281 0.265281 F\n0.734719 0.734719 0.265281 F\n0.265281 0.265281 0.734720 F\n0.734719 0.265281 0.734720 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"F"
],
"chemical_system": "Ca-F-Sn",
"density": 2.9516732497153635,
"density_atomic": 0.0521313726960856,
"volume": 153.45845670779158,
"volume_molar": 11.551855338833589,
"formula_full": "Ca1 Sn1 F6",
"formula_reduced": "CaSnF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.00232,
"spacegroup": 225
},
{
"id": "jvasp-87032",
"created_at": "2022-09-04T14:36:07.422764Z",
"updated_at": "2022-09-04T14:36:07.422785Z",
"structure_string": "As12 Rh4\n1.0\n7.012976 -0.000000 -2.479462\n-3.506488 6.073415 -2.479462\n0.000000 -0.000000 7.438385\nAs Rh\n12 4\ndirect\n0.505994 0.853620 0.652375 As\n0.201244 0.853620 0.347626 As\n0.798757 0.146381 0.652375 As\n0.146381 0.347626 0.494006 As\n0.494006 0.146381 0.347625 As\n0.146381 0.652375 0.798756 As\n0.347626 0.201244 0.853619 As\n0.853620 0.652375 0.505994 As\n0.652375 0.798757 0.146381 As\n0.853620 0.347626 0.201244 As\n0.652375 0.505994 0.853619 As\n0.347626 0.494006 0.146381 As\n0.500000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 16,
"nelements": 2,
"elements": [
"As",
"Rh"
],
"chemical_system": "As-Rh",
"density": 6.869611930281034,
"density_atomic": 0.050501702504040444,
"volume": 316.82100219730023,
"volume_molar": 11.924629193477571,
"formula_full": "As12 Rh4",
"formula_reduced": "As3Rh",
"formula_anonymous": "AB3",
"energy_above_hull": 2.3608420625,
"spacegroup": 204
},
{
"id": "jvasp-87030",
"created_at": "2022-09-04T14:36:04.662687Z",
"updated_at": "2022-09-04T14:36:04.662731Z",
"structure_string": "Rb2 Mo6 S6\n1.0\n8.990814 -0.000001 0.000000\n-4.495407 7.786274 -0.000000\n0.000000 0.000000 4.446608\nRb Mo S\n2 6 6\ndirect\n0.333332 0.666667 0.750000 Rb\n0.666667 0.333333 0.250000 Rb\n0.970732 0.816492 0.250000 Mo\n0.845760 0.029268 0.250000 Mo\n0.154239 0.970732 0.750000 Mo\n0.029267 0.183507 0.750000 Mo\n0.183507 0.154240 0.250000 Mo\n0.816492 0.845760 0.750000 Mo\n0.942376 0.652963 0.750000 S\n0.057623 0.347036 0.250000 S\n0.289413 0.942377 0.250000 S\n0.652963 0.710586 0.250000 S\n0.347036 0.289413 0.750000 S\n0.710586 0.057623 0.750000 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Mo",
"S"
],
"chemical_system": "Mo-Rb-S",
"density": 5.0088873715244535,
"density_atomic": 0.044974932774771624,
"volume": 311.2845119771519,
"volume_molar": 13.38999391095939,
"formula_full": "Rb2 Mo6 S6",
"formula_reduced": "Rb(MoS)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 3.5746753857142863,
"spacegroup": 176
},
{
"id": "jvasp-8703",
"created_at": "2022-09-04T14:36:44.819286Z",
"updated_at": "2022-09-04T14:36:44.819304Z",
"structure_string": "B2 C4 N2\n1.0\n3.602083 0.000000 0.000000\n0.000000 3.606755 0.000000\n0.000000 0.000000 3.648880\nB C N\n2 4 2\ndirect\n0.747221 0.499999 0.000000 B\n0.252778 0.000000 0.000000 B\n0.744950 0.000000 0.500000 C\n0.255049 0.499999 0.500000 C\n0.500000 0.749999 0.742671 C\n0.500000 0.250000 0.257329 C\n0.000000 0.250000 0.741972 N\n0.000000 0.749999 0.258028 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.4215020621575776,
"density_atomic": 0.16875632053877954,
"volume": 47.4056318273521,
"volume_molar": 3.5685423460131296,
"formula_full": "B2 C4 N2",
"formula_reduced": "BC2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.369453958333333,
"spacegroup": 17
},
{
"id": "jvasp-87029",
"created_at": "2022-09-04T14:35:58.254927Z",
"updated_at": "2022-09-04T14:35:58.254946Z",
"structure_string": "K2 Mo6 S6\n1.0\n8.757592 0.000001 -0.000000\n-4.378797 7.584297 0.000000\n0.000000 0.000000 4.443431\nK Mo S\n2 6 6\ndirect\n0.333333 0.666667 0.750000 K\n0.666667 0.333333 0.250000 K\n0.966757 0.810512 0.250000 Mo\n0.843755 0.033242 0.250000 Mo\n0.156245 0.966758 0.750000 Mo\n0.033243 0.189488 0.750000 Mo\n0.189488 0.156245 0.250000 Mo\n0.810512 0.843755 0.750000 Mo\n0.934984 0.641573 0.750000 S\n0.065015 0.358427 0.250000 S\n0.293411 0.934985 0.250000 S\n0.641573 0.706589 0.250000 S\n0.358427 0.293411 0.750000 S\n0.706588 0.065015 0.750000 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"Mo",
"S"
],
"chemical_system": "K-Mo-S",
"density": 4.7612091658024145,
"density_atomic": 0.047436160139426226,
"volume": 295.1335006638533,
"volume_molar": 12.695253457066272,
"formula_full": "K2 Mo6 S6",
"formula_reduced": "K(MoS)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 3.5772951,
"spacegroup": 176
},
{
"id": "jvasp-87027",
"created_at": "2022-09-04T14:35:52.205112Z",
"updated_at": "2022-09-04T14:35:52.205140Z",
"structure_string": "B5 W2\n1.0\n3.032009 0.004752 6.774531\n1.450666 2.662456 6.774531\n0.007986 0.004752 7.422080\nB W\n5 2\ndirect\n0.500002 0.500000 0.499998 B\n0.814749 0.814747 0.814744 B\n0.330888 0.330887 0.330885 B\n0.669116 0.669114 0.669111 B\n0.185254 0.185253 0.185253 B\n0.922973 0.922970 0.922967 W\n0.077030 0.077030 0.077030 W\n",
"nsites": 7,
"nelements": 2,
"elements": [
"B",
"W"
],
"chemical_system": "B-W",
"density": 11.73642806298264,
"density_atomic": 0.11731275632215583,
"volume": 59.66955529351902,
"volume_molar": 5.133406586631066,
"formula_full": "B5 W2",
"formula_reduced": "B5W2",
"formula_anonymous": "A2B5",
"energy_above_hull": 6.267884702380953,
"spacegroup": 166
},
{
"id": "jvasp-87026",
"created_at": "2022-09-04T14:35:48.459787Z",
"updated_at": "2022-09-04T14:35:48.459805Z",
"structure_string": "As4 Pd8\n1.0\n3.297836 0.000000 -0.635328\n0.000000 6.681183 0.000000\n-0.027704 -0.000000 8.732987\nAs Pd\n4 8\ndirect\n0.204504 0.229378 0.409005 As\n0.795499 0.729377 0.590996 As\n0.558434 0.698301 0.116866 As\n0.441569 0.198301 0.883135 As\n0.673048 0.959057 0.346095 Pd\n0.326955 0.459057 0.653906 Pd\n0.414800 0.827183 0.829599 Pd\n0.585202 0.327183 0.170401 Pd\n0.171967 0.606414 0.343932 Pd\n0.828036 0.106414 0.656068 Pd\n0.962771 0.493966 0.925538 Pd\n0.037231 0.993966 0.074463 Pd\n",
"nsites": 12,
"nelements": 2,
"elements": [
"As",
"Pd"
],
"chemical_system": "As-Pd",
"density": 9.939446339786333,
"density_atomic": 0.06240243134109481,
"volume": 192.30019956125426,
"volume_molar": 9.650490582783029,
"formula_full": "As4 Pd8",
"formula_reduced": "AsPd2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5658810499999998,
"spacegroup": 36
},
{
"id": "jvasp-87025",
"created_at": "2022-09-04T14:35:44.594732Z",
"updated_at": "2022-09-04T14:35:44.594755Z",
"structure_string": "Li4 Be2 Si2 O8\n1.0\n4.723370 0.000000 -0.013219\n0.000000 4.969614 0.000000\n0.016480 0.000000 6.091521\nLi Be Si O\n4 2 2 8\ndirect\n0.999187 0.175920 0.499414 Li\n0.499187 0.824079 0.999414 Li\n0.498941 0.335655 0.747283 Li\n0.998941 0.664344 0.247283 Li\n0.508475 0.321878 0.248347 Be\n0.008475 0.678121 0.748347 Be\n0.008612 0.178220 0.997291 Si\n0.508612 0.821779 0.497291 Si\n0.355967 0.197941 0.026645 O\n0.356082 0.698207 0.718416 O\n0.916597 0.859288 0.968040 O\n0.855967 0.802059 0.526645 O\n0.416597 0.140712 0.468040 O\n0.916139 0.356966 0.779563 O\n0.416139 0.643034 0.279563 O\n0.856082 0.301793 0.218416 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Be",
"Si",
"O"
],
"chemical_system": "Be-Li-O-Si",
"density": 2.6704685810429085,
"density_atomic": 0.11189645408911605,
"volume": 142.98933894060087,
"volume_molar": 5.381887039247798,
"formula_full": "Li4 Be2 Si2 O8",
"formula_reduced": "Li2BeSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.9759385875,
"spacegroup": 7
},
{
"id": "jvasp-87024",
"created_at": "2022-09-04T14:35:41.169606Z",
"updated_at": "2022-09-04T14:35:41.169625Z",
"structure_string": "Nd2 Ni8 B2\n1.0\n5.069860 0.000000 0.000000\n-2.534930 4.390628 -0.000000\n-0.000000 -0.000000 6.993153\nNd Ni B\n2 8 2\ndirect\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n0.500000 0.000000 0.293222 Ni\n0.500000 0.500000 0.293222 Ni\n0.000000 0.500000 0.293222 Ni\n0.500000 0.000000 0.706778 Ni\n0.500000 0.500000 0.706778 Ni\n0.000000 0.500000 0.706778 Ni\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nd",
"Ni",
"B"
],
"chemical_system": "B-Nd-Ni",
"density": 8.316774450574911,
"density_atomic": 0.07708779199958446,
"volume": 155.6666715796541,
"volume_molar": 7.812055065778071,
"formula_full": "Nd2 Ni8 B2",
"formula_reduced": "NdNi4B",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.8236222805555555,
"spacegroup": 191
}
]
}