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=created_at&page=1530",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=1528",
"results": [
{
"id": "jvasp-102819",
"created_at": "2022-09-04T14:36:42.383335Z",
"updated_at": "2022-09-04T14:36:42.383368Z",
"structure_string": "Ba2 Ru1 N2\n1.0\n3.994779 0.000000 -1.209985\n-0.366345 3.978140 -1.209491\n-0.001665 -0.002763 7.193900\nBa Ru N\n2 1 2\ndirect\n0.860649 0.860648 0.221297 Ba\n0.139353 0.139353 0.778703 Ba\n0.500001 0.500000 0.500000 Ru\n0.361294 0.361294 0.222587 N\n0.638708 0.638707 0.777413 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ru",
"N"
],
"chemical_system": "Ba-N-Ru",
"density": 5.86538712754325,
"density_atomic": 0.043744011461613566,
"volume": 114.30135995615358,
"volume_molar": 13.766777574307683,
"formula_full": "Ba2 Ru1 N2",
"formula_reduced": "Ba2RuN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.9345797880000006,
"spacegroup": 139
},
{
"id": "jvasp-79097",
"created_at": "2022-09-04T14:36:42.385551Z",
"updated_at": "2022-09-04T14:36:42.385583Z",
"structure_string": "Mg3 Re1\n1.0\n4.136620 0.000000 -0.000000\n-0.000000 4.136620 0.000000\n-0.000000 -0.000000 4.136620\nMg Re\n3 1\ndirect\n0.500001 0.500001 0.000000 Mg\n0.500001 0.000000 0.500001 Mg\n0.000000 0.500001 0.500001 Mg\n0.000000 0.000000 0.000000 Re\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Re"
],
"chemical_system": "Mg-Re",
"density": 6.078781070497779,
"density_atomic": 0.056509713985554,
"volume": 70.78429030843351,
"volume_molar": 10.656823995852259,
"formula_full": "Mg3 Re1",
"formula_reduced": "Mg3Re",
"formula_anonymous": "AB3",
"energy_above_hull": 1.1854087875,
"spacegroup": 221
},
{
"id": "jvasp-102923",
"created_at": "2022-09-04T14:36:42.385582Z",
"updated_at": "2022-09-04T14:36:42.385601Z",
"structure_string": "Co1 Mo3\n1.0\n3.770282 0.000000 2.176773\n1.256761 3.554656 2.176773\n-0.000000 -0.000000 4.353547\nCo Mo\n1 3\ndirect\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Mo\n0.749999 0.750001 0.749999 Mo\n0.499999 0.500000 0.500000 Mo\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"Mo"
],
"chemical_system": "Co-Mo",
"density": 9.868585731218035,
"density_atomic": 0.06855597958779908,
"volume": 58.34647865949072,
"volume_molar": 8.784267683444732,
"formula_full": "Co1 Mo3",
"formula_reduced": "CoMo3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.36143965,
"spacegroup": 225
},
{
"id": "jvasp-18452",
"created_at": "2022-09-04T14:36:42.387443Z",
"updated_at": "2022-09-04T14:36:42.387462Z",
"structure_string": "Ba1 Fe2 S4\n1.0\n4.559477 -0.000000 2.222141\n2.279738 5.322863 1.111071\n-0.052240 -0.000000 5.895915\nBa Fe S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750001 0.500000 0.500000 Fe\n0.250000 0.500000 0.500000 Fe\n0.388417 0.413655 0.809512 S\n0.197928 0.190489 0.413655 S\n0.802073 0.809511 0.586345 S\n0.611584 0.586345 0.190489 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"S"
],
"chemical_system": "Ba-Fe-S",
"density": 4.359398176605016,
"density_atomic": 0.04870966589596671,
"volume": 143.7086432690892,
"volume_molar": 12.363338259929739,
"formula_full": "Ba1 Fe2 S4",
"formula_reduced": "Ba(FeS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.1701952814285708,
"spacegroup": 87
},
{
"id": "jvasp-19848",
"created_at": "2022-09-04T14:36:42.390260Z",
"updated_at": "2022-09-04T14:36:42.390271Z",
"structure_string": "Si4 Rh4\n1.0\n3.169788 -0.000000 0.000000\n0.000000 5.592412 0.000000\n0.000000 0.000000 6.387681\nSi Rh\n4 4\ndirect\n0.250000 0.686042 0.059606 Si\n0.750000 0.313957 0.940394 Si\n0.250000 0.186042 0.440394 Si\n0.750000 0.813957 0.559606 Si\n0.250000 0.502561 0.703169 Rh\n0.750000 0.497438 0.296831 Rh\n0.250000 0.002561 0.796831 Rh\n0.750000 0.997438 0.203169 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Rh"
],
"chemical_system": "Rh-Si",
"density": 7.68383359732391,
"density_atomic": 0.07065085008205564,
"volume": 113.23289090943142,
"volume_molar": 8.523805096479006,
"formula_full": "Si4 Rh4",
"formula_reduced": "SiRh",
"formula_anonymous": "AB",
"energy_above_hull": 1.6463708,
"spacegroup": 62
},
{
"id": "jvasp-7865",
"created_at": "2022-09-04T14:36:42.394082Z",
"updated_at": "2022-09-04T14:36:42.394103Z",
"structure_string": "Na5 Ni1 S1 O2\n1.0\n4.559796 0.000000 0.000000\n-0.000000 4.559805 0.000000\n0.000000 0.000000 8.066949\nNa Ni S O\n5 1 1 2\ndirect\n0.000000 0.500001 0.255003 Na\n0.500000 0.000000 0.255099 Na\n0.000000 0.500001 0.744997 Na\n0.500000 0.000000 0.744901 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500001 0.500000 S\n0.000000 0.000000 0.780120 O\n0.000000 0.000000 0.219880 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Na",
"Ni",
"S",
"O"
],
"chemical_system": "Na-Ni-O-S",
"density": 2.3533598034448597,
"density_atomic": 0.05365886898260935,
"volume": 167.72623371761466,
"volume_molar": 11.22301098435704,
"formula_full": "Na5 Ni1 S1 O2",
"formula_reduced": "Na5NiSO2",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 0.4179715999999998,
"spacegroup": 123
},
{
"id": "jvasp-101643",
"created_at": "2022-09-04T14:36:42.398198Z",
"updated_at": "2022-09-04T14:36:42.398222Z",
"structure_string": "Yb1 Cd2 As2\n1.0\n4.422933 0.000000 0.000000\n-2.211467 3.830372 0.000000\n-0.000000 -0.000000 7.126042\nYb Cd As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.333332 0.666666 0.635819 Cd\n0.666666 0.333333 0.364181 Cd\n0.333332 0.666666 0.228787 As\n0.666666 0.333333 0.771212 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Cd",
"As"
],
"chemical_system": "As-Cd-Yb",
"density": 7.5334909231234715,
"density_atomic": 0.041416205989015624,
"volume": 120.72568890849385,
"volume_molar": 14.540541839098415,
"formula_full": "Yb1 Cd2 As2",
"formula_reduced": "Yb(CdAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-99918",
"created_at": "2022-09-04T14:36:42.402306Z",
"updated_at": "2022-09-04T14:36:42.402325Z",
"structure_string": "Tl1 Bi1 Pb1 S3\n1.0\n5.462767 -0.010751 -5.196325\n-0.502743 3.945104 -6.405243\n0.017835 0.010751 7.539450\nTl Bi Pb S\n1 1 1 3\ndirect\n0.007114 0.007114 -0.000000 Tl\n0.337047 0.337047 -0.000000 Bi\n0.668077 0.668075 -0.000000 Pb\n0.482074 0.982072 0.500000 S\n0.188313 0.688311 0.500000 S\n0.817379 0.317378 0.500000 S\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Tl",
"Bi",
"Pb",
"S"
],
"chemical_system": "Bi-Pb-S-Tl",
"density": 7.292282749942522,
"density_atomic": 0.03676145391500645,
"volume": 163.21443689012338,
"volume_molar": 16.38167188360766,
"formula_full": "Tl1 Bi1 Pb1 S3",
"formula_reduced": "TlBiPbS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.06050462,
"spacegroup": 44
},
{
"id": "jvasp-102420",
"created_at": "2022-09-04T14:36:42.415627Z",
"updated_at": "2022-09-04T14:36:42.415650Z",
"structure_string": "Rb2 Tl2 Cl6\n1.0\n6.781208 -0.000000 3.915132\n2.260403 6.393384 3.915132\n-0.000000 -0.000000 7.830264\nRb Tl Cl\n2 2 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.762982 0.237018 0.237018 Cl\n0.237018 0.237018 0.762981 Cl\n0.237018 0.762982 0.762982 Cl\n0.237018 0.762982 0.237018 Cl\n0.762982 0.237018 0.762981 Cl\n0.762982 0.762982 0.237018 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Tl",
"Cl"
],
"chemical_system": "Cl-Rb-Tl",
"density": 3.876058963921399,
"density_atomic": 0.029456811780998238,
"volume": 339.4800521640539,
"volume_molar": 20.443966593440752,
"formula_full": "Rb2 Tl2 Cl6",
"formula_reduced": "RbTlCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102304",
"created_at": "2022-09-04T14:36:42.419404Z",
"updated_at": "2022-09-04T14:36:42.419427Z",
"structure_string": "Rb2 Li1 Yb1 Cl6\n1.0\n6.281352 -0.000000 3.626541\n2.093784 5.922116 3.626541\n-0.000000 -0.000000 7.253081\nYb Rb Li Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750001 0.750000 Rb\n0.499999 0.500000 0.500000 Li\n0.742020 0.257979 0.257979 Cl\n0.257978 0.742021 0.742021 Cl\n0.257978 0.742021 0.257979 Cl\n0.742020 0.257979 0.742021 Cl\n0.257979 0.257979 0.742021 Cl\n0.742020 0.742021 0.257979 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Yb",
"Rb",
"Li",
"Cl"
],
"chemical_system": "Cl-Li-Rb-Yb",
"density": 3.4689191186695507,
"density_atomic": 0.03706358556572365,
"volume": 269.8065998570841,
"volume_molar": 16.248133223163563,
"formula_full": "Rb2 Li1 Yb1 Cl6",
"formula_reduced": "Rb2LiYbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100540",
"created_at": "2022-09-04T14:36:42.427161Z",
"updated_at": "2022-09-04T14:36:42.427172Z",
"structure_string": "Tb1 Al1 Ni4\n1.0\n4.894803 0.009902 0.000000\n-2.314851 4.312848 0.000000\n0.000000 0.000000 4.025183\nTb Al Ni\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.500000 Al\n0.167743 0.832258 0.000000 Ni\n0.832257 0.167742 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 -0.000000 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Tb",
"density": 8.211928697281936,
"density_atomic": 0.07053342175357351,
"volume": 85.06605593249864,
"volume_molar": 8.537996045392331,
"formula_full": "Tb1 Al1 Ni4",
"formula_reduced": "TbAlNi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2494868000000003,
"spacegroup": 65
},
{
"id": "jvasp-102661",
"created_at": "2022-09-04T14:36:42.428674Z",
"updated_at": "2022-09-04T14:36:42.428695Z",
"structure_string": "U2 Al3 Fe1\n1.0\n4.514508 0.000000 2.464100\n-2.929729 4.227205 0.000000\n-0.044143 -0.030594 5.448467\nU Al Fe\n2 3 1\ndirect\n0.472393 0.736196 0.791412 U\n0.027608 0.013804 0.958589 U\n0.250000 0.375000 0.375000 Al\n0.250000 0.874999 0.375000 Al\n0.750000 0.375000 0.375000 Al\n0.750001 0.375000 0.875000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-U",
"density": 9.723657353666699,
"density_atomic": 0.05732966792583854,
"volume": 104.65785372700186,
"volume_molar": 10.504405446391598,
"formula_full": "U2 Al3 Fe1",
"formula_reduced": "U2Al3Fe",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.748160983333333,
"spacegroup": 166
}
]
}