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=412",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=410",
"results": [
{
"id": "jvasp-90725",
"created_at": "2022-09-04T14:35:57.989493Z",
"updated_at": "2022-09-04T14:35:57.989508Z",
"structure_string": "Tc6 B2\n1.0\n2.913901 -0.000000 0.000000\n-1.456950 4.637582 -0.000000\n0.000000 -0.000000 7.253288\nTc B\n6 2\ndirect\n0.134108 0.268217 0.438169 Tc\n0.865891 0.731783 0.561831 Tc\n0.134108 0.268217 0.061831 Tc\n0.865891 0.731783 0.938169 Tc\n0.424574 0.849148 0.250000 Tc\n0.575425 0.150851 0.750000 Tc\n0.743512 0.487025 0.250000 B\n0.256487 0.512975 0.750000 B\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tc",
"B"
],
"chemical_system": "B-Tc",
"density": 10.32781411511348,
"density_atomic": 0.08161851162303417,
"volume": 98.01697973799195,
"volume_molar": 7.378400610653192,
"formula_full": "Tc6 B2",
"formula_reduced": "Tc3B",
"formula_anonymous": "AB3",
"energy_above_hull": 5.145979270833333,
"spacegroup": 63
},
{
"id": "jvasp-90724",
"created_at": "2022-09-04T14:35:54.123788Z",
"updated_at": "2022-09-04T14:35:54.123813Z",
"structure_string": "Li4 Zn2 Si2\n1.0\n-2.160469 -3.741473 -0.000737\n-2.159976 3.741189 -0.000000\n-0.000658 -0.000379 -7.700137\nLi Zn Si\n4 2 2\ndirect\n0.000100 0.000050 0.239437 Li\n-0.000099 -0.000050 0.760564 Li\n0.333294 0.666647 0.582730 Li\n0.666707 0.333355 0.417271 Li\n0.333276 0.666638 0.908231 Zn\n0.666725 0.333364 0.091769 Zn\n0.333504 0.666752 0.240855 Si\n0.666498 0.333250 0.759146 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Si"
],
"chemical_system": "Li-Si-Zn",
"density": 2.8650702938298713,
"density_atomic": 0.06427423729661745,
"volume": 124.46666559543935,
"volume_molar": 9.369447251794812,
"formula_full": "Li4 Zn2 Si2",
"formula_reduced": "Li2ZnSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6835547499999998,
"spacegroup": 164
},
{
"id": "jvasp-90723",
"created_at": "2022-09-04T14:35:51.169397Z",
"updated_at": "2022-09-04T14:35:51.169419Z",
"structure_string": "In2 Mo2 S4\n1.0\n-1.606052 -2.781862 0.000000\n-1.606052 2.781862 0.000000\n0.000000 -0.000000 -18.364163\nIn Mo S\n2 2 4\ndirect\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.000023 -0.000023 0.750000 Mo\n-0.000023 0.000023 0.250000 Mo\n0.666694 0.333304 0.664170 S\n0.333304 0.666694 0.335830 S\n0.333304 0.666694 0.164170 S\n0.666694 0.333304 0.835830 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"In",
"Mo",
"S"
],
"chemical_system": "In-Mo-S",
"density": 5.563377828402519,
"density_atomic": 0.04875213817304673,
"volume": 164.09536688634728,
"volume_molar": 12.352567468167827,
"formula_full": "In2 Mo2 S4",
"formula_reduced": "InMoS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1548014675,
"spacegroup": 194
},
{
"id": "jvasp-90722",
"created_at": "2022-09-04T14:35:46.839091Z",
"updated_at": "2022-09-04T14:35:46.839107Z",
"structure_string": "Pb4 S4\n1.0\n0.000000 -4.025132 0.000000\n-5.923085 0.000000 0.085413\n-0.830947 0.000000 -10.014820\nPb S\n4 4\ndirect\n0.250000 0.262662 0.386577 Pb\n0.750000 0.737340 0.613423 Pb\n0.250000 0.734782 0.100784 Pb\n0.750000 0.265219 0.899216 Pb\n0.250000 0.242338 0.092014 S\n0.750000 0.757663 0.907986 S\n0.750000 0.570052 0.341988 S\n0.250000 0.429949 0.658012 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pb",
"S"
],
"chemical_system": "Pb-S",
"density": 6.648102514845417,
"density_atomic": 0.033465662880191094,
"volume": 239.05099470584037,
"volume_molar": 17.994984236707317,
"formula_full": "Pb4 S4",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.4541954099999999,
"spacegroup": 11
},
{
"id": "jvasp-90721",
"created_at": "2022-09-04T14:35:44.150108Z",
"updated_at": "2022-09-04T14:35:44.150117Z",
"structure_string": "Th2 Cu2 P2 O2\n1.0\n3.918705 0.000000 -0.000000\n0.000000 3.918705 -0.000000\n0.000000 -0.000000 8.317429\nTh Cu P O\n2 2 2 2\ndirect\n0.749999 0.749999 0.333234 Th\n0.250000 0.250000 0.666766 Th\n0.749999 0.250000 0.000000 Cu\n0.250000 0.749999 0.000000 Cu\n0.749999 0.749999 0.828043 P\n0.250000 0.250000 0.171957 P\n0.749999 0.250000 0.500000 O\n0.250000 0.749999 0.500000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Th",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-O-P-Th",
"density": 8.90713381214786,
"density_atomic": 0.06263480686849644,
"volume": 127.72450974098518,
"volume_molar": 9.61468720202755,
"formula_full": "Th2 Cu2 P2 O2",
"formula_reduced": "ThCuPO",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.5510012625,
"spacegroup": 129
},
{
"id": "jvasp-90720",
"created_at": "2022-09-04T14:36:16.858765Z",
"updated_at": "2022-09-04T14:36:16.858789Z",
"structure_string": "Nb2 Cr2 N4\n1.0\n3.046796 0.000000 0.000000\n0.000000 3.046796 0.000000\n-0.000000 0.000000 9.193430\nNb Cr N\n2 2 4\ndirect\n0.000000 0.500001 0.670166 Nb\n0.500001 0.000000 0.329834 Nb\n0.000000 0.500001 0.052314 Cr\n0.500001 0.000000 0.947686 Cr\n0.000000 0.500001 0.253623 N\n0.500001 0.000000 0.746377 N\n0.000000 0.000000 0.500000 N\n0.500001 0.500001 0.500000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"Cr",
"N"
],
"chemical_system": "Cr-N-Nb",
"density": 6.728986316977639,
"density_atomic": 0.09374015339009273,
"volume": 85.34229687793011,
"volume_molar": 6.424291557257546,
"formula_full": "Nb2 Cr2 N4",
"formula_reduced": "NbCrN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.068220825,
"spacegroup": 129
},
{
"id": "jvasp-9072",
"created_at": "2022-09-04T14:37:05.384207Z",
"updated_at": "2022-09-04T14:37:05.384233Z",
"structure_string": "Ca6 N4\n1.0\n5.437737 -0.006232 3.662536\n1.945718 5.077716 3.662536\n-0.009073 -0.006232 6.556147\nCa N\n6 4\ndirect\n0.750000 0.450446 0.049554 Ca\n0.049554 0.750001 0.450446 Ca\n0.450446 0.049555 0.750000 Ca\n0.950446 0.250001 0.549554 Ca\n0.250000 0.549555 0.950446 Ca\n0.549555 0.950447 0.250000 Ca\n0.853962 0.853962 0.853961 N\n0.646040 0.646040 0.646039 N\n0.146040 0.146040 0.146040 N\n0.353961 0.353961 0.353961 N\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ca",
"N"
],
"chemical_system": "Ca-N",
"density": 2.7148407061829323,
"density_atomic": 0.05514144895378043,
"volume": 181.35178145902552,
"volume_molar": 10.921259550230099,
"formula_full": "Ca6 N4",
"formula_reduced": "Ca3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.714913552,
"spacegroup": 167
},
{
"id": "jvasp-90719",
"created_at": "2022-09-04T14:36:06.637396Z",
"updated_at": "2022-09-04T14:36:06.637423Z",
"structure_string": "Pr2 Cl2 O4\n1.0\n0.000000 -3.799788 0.000000\n-6.069198 0.000000 2.153840\n-0.199773 0.000000 -6.407275\nPr Cl O\n2 2 4\ndirect\n0.750000 0.696613 0.832262 Pr\n0.250000 0.303387 0.167739 Pr\n0.250000 0.744581 0.503901 Cl\n0.750000 0.255419 0.496100 Cl\n0.250000 0.910833 0.047600 O\n0.750000 0.089167 0.952401 O\n0.250000 0.456984 0.871732 O\n0.750000 0.543015 0.128269 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pr",
"Cl",
"O"
],
"chemical_system": "Cl-O-Pr",
"density": 4.6317941055913545,
"density_atomic": 0.0535484540487101,
"volume": 149.39740356879093,
"volume_molar": 11.246152418372317,
"formula_full": "Pr2 Cl2 O4",
"formula_reduced": "PrClO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.175387729375,
"spacegroup": 11
},
{
"id": "jvasp-90718",
"created_at": "2022-09-04T14:35:57.833831Z",
"updated_at": "2022-09-04T14:35:57.833855Z",
"structure_string": "Fe1 Cu2 Ge1 Se4\n1.0\n5.635050 0.000000 -0.000000\n0.000000 5.635050 0.000000\n-2.817525 -2.817525 5.587933\nFe Cu Ge Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.749999 0.249999 0.500000 Cu\n0.249999 0.749999 0.500000 Cu\n0.500000 0.500000 0.000000 Ge\n0.885917 0.885917 0.255872 Se\n0.369954 0.369954 0.255872 Se\n0.114082 0.630044 0.744127 Se\n0.630044 0.114082 0.744127 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Fe",
"Cu",
"Ge",
"Se"
],
"chemical_system": "Cu-Fe-Ge-Se",
"density": 5.347558154149401,
"density_atomic": 0.045086160107525544,
"volume": 177.4380426481403,
"volume_molar": 13.3569608625748,
"formula_full": "Fe1 Cu2 Ge1 Se4",
"formula_reduced": "FeCu2GeSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.2769094770833331,
"spacegroup": 121
},
{
"id": "jvasp-90717",
"created_at": "2022-09-04T14:38:18.536818Z",
"updated_at": "2022-09-04T14:38:18.536840Z",
"structure_string": "Na2 Al4 Sb2\n1.0\n-2.607487 -4.516881 0.000000\n-2.607487 4.516881 0.000000\n0.000000 0.000000 -8.566731\nNa Al Sb\n2 4 2\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.666683 0.333318 0.593106 Al\n0.333318 0.666683 0.406893 Al\n0.333318 0.666683 0.093107 Al\n0.666683 0.333318 0.906893 Al\n0.666652 0.333349 0.250000 Sb\n0.333349 0.666652 0.750000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Al",
"Sb"
],
"chemical_system": "Al-Na-Sb",
"density": 3.270386723805504,
"density_atomic": 0.039644601838422756,
"volume": 201.79292082703074,
"volume_molar": 15.190317169898934,
"formula_full": "Na2 Al4 Sb2",
"formula_reduced": "NaAl2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1082601750000003,
"spacegroup": 194
},
{
"id": "jvasp-90716",
"created_at": "2022-09-04T14:35:55.416185Z",
"updated_at": "2022-09-04T14:35:55.416208Z",
"structure_string": "Yb2 Co2 Ge4\n1.0\n-0.000000 -0.000000 -4.067077\n-4.196704 -0.000000 -0.000000\n2.098352 8.416106 0.000000\nYb Co Ge\n2 2 4\ndirect\n0.750001 0.109538 0.219077 Yb\n0.250000 0.890462 0.780923 Yb\n0.750001 0.320228 0.640456 Co\n0.250000 0.679772 0.359544 Co\n0.750001 0.455257 0.910515 Ge\n0.250000 0.544742 0.089486 Ge\n0.750001 0.751370 0.502743 Ge\n0.250000 0.248629 0.497258 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Yb",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Yb",
"density": 8.721879642578493,
"density_atomic": 0.05569138988210555,
"volume": 143.64877617411585,
"volume_molar": 10.81341437652825,
"formula_full": "Yb2 Co2 Ge4",
"formula_reduced": "YbCoGe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.880943375,
"spacegroup": 63
},
{
"id": "jvasp-90715",
"created_at": "2022-09-04T14:35:49.979515Z",
"updated_at": "2022-09-04T14:35:49.979535Z",
"structure_string": "Ni2 P4 W2\n1.0\n-1.681089 -2.911761 -0.000000\n-1.681089 2.911761 0.000000\n0.000000 -0.000000 -11.298832\nNi P W\n2 4 2\ndirect\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.666682 0.333318 0.613592 P\n0.333318 0.666682 0.386407 P\n0.333318 0.666682 0.113593 P\n0.666682 0.333318 0.886407 P\n0.000015 0.999986 0.750000 W\n0.999986 0.000015 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ni",
"P",
"W"
],
"chemical_system": "Ni-P-W",
"density": 9.141747125249351,
"density_atomic": 0.07232359554925949,
"volume": 110.61396960762566,
"volume_molar": 8.326661187493546,
"formula_full": "Ni2 P4 W2",
"formula_reduced": "NiP2W",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.60266585,
"spacegroup": 194
}
]
}