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=-energy_above_hull&page=563",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=561",
"results": [
{
"id": "jvasp-34022",
"created_at": "2022-09-04T14:38:30.367577Z",
"updated_at": "2022-09-04T14:38:30.367604Z",
"structure_string": "Te4 Mo6 S8\n1.0\n1.821522 2.775105 0.000019\n-0.000106 0.000038 -13.601111\n-6.258954 6.093975 0.000029\nTe Mo S\n4 6 8\ndirect\n0.875329 0.613392 0.249326 Te\n0.457992 0.113391 0.084011 Te\n0.458002 0.386608 0.084008 Te\n0.875338 0.886609 0.249324 Te\n0.233710 0.249999 0.532578 Mo\n0.439168 0.750001 0.121676 Mo\n0.894163 0.249999 0.211658 Mo\n0.757981 0.750000 0.484045 Mo\n0.575360 0.249999 0.849290 Mo\n0.099627 0.750001 0.800756 Mo\n0.547565 0.863626 0.904892 S\n0.547556 0.636376 0.904894 S\n0.785773 0.136374 0.428443 S\n0.126605 0.364292 0.746823 S\n0.206743 0.864294 0.586509 S\n0.206734 0.635707 0.586511 S\n0.126596 0.135706 0.746825 S\n0.785781 0.363624 0.428441 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 5.75741584967502,
"density_atomic": 0.04648547819884679,
"volume": 387.21770104209753,
"volume_molar": 12.954886113550613,
"formula_full": "Te4 Mo6 S8",
"formula_reduced": "Te2Mo3S4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.521017025925925,
"spacegroup": 63
},
{
"id": "jvasp-107381",
"created_at": "2022-09-04T14:37:01.425699Z",
"updated_at": "2022-09-04T14:37:01.425731Z",
"structure_string": "In1 Co2 N2\n1.0\n2.930447 0.000247 1.174118\n-1.699630 2.659190 -0.000000\n0.068161 0.043565 8.337178\nIn Co N\n1 2 2\ndirect\n0.000000 0.000001 0.500000 In\n0.520792 0.260397 0.109276 Co\n0.479210 0.739606 0.890724 Co\n0.874834 0.437419 0.844207 N\n0.125168 0.562584 0.155793 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"In",
"Co",
"N"
],
"chemical_system": "Co-In-N",
"density": 6.693742474521785,
"density_atomic": 0.07731300561982403,
"volume": 64.67217203515287,
"volume_molar": 7.789298465012526,
"formula_full": "In1 Co2 N2",
"formula_reduced": "In(CoN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.520975654000001,
"spacegroup": 166
},
{
"id": "jvasp-30302",
"created_at": "2022-09-04T14:38:01.773908Z",
"updated_at": "2022-09-04T14:38:01.773925Z",
"structure_string": "Mn5 Sb1 O12\n1.0\n5.102459 -0.003573 0.242507\n-2.565320 4.410696 0.242507\n0.427750 0.743020 8.968070\nMn Sb O\n5 1 12\ndirect\n0.166926 0.833076 0.500000 Mn\n0.333336 0.666665 0.000000 Mn\n0.500000 0.500001 0.500000 Mn\n0.666665 0.333337 0.000000 Mn\n0.833075 0.166926 0.500000 Mn\n0.000000 0.000000 0.000000 Sb\n0.798580 0.465421 0.604135 O\n0.534580 0.201421 0.395865 O\n0.868688 0.868688 0.394582 O\n0.687304 0.687304 0.889164 O\n0.312697 0.312697 0.110836 O\n0.201421 0.534581 0.395865 O\n0.465421 0.798580 0.604135 O\n0.613311 0.963004 0.110838 O\n0.386690 0.036997 0.889162 O\n0.963004 0.613311 0.110838 O\n0.131313 0.131313 0.605419 O\n0.036997 0.386690 0.889162 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"Sb",
"O"
],
"chemical_system": "Mn-O-Sb",
"density": 4.88790619302299,
"density_atomic": 0.09004131950959654,
"volume": 199.90822100382005,
"volume_molar": 6.688196922034404,
"formula_full": "Mn5 Sb1 O12",
"formula_reduced": "Mn5SbO12",
"formula_anonymous": "AB5C12",
"energy_above_hull": 3.5206346837164757,
"spacegroup": 12
},
{
"id": "jvasp-51143",
"created_at": "2022-09-04T14:36:41.784618Z",
"updated_at": "2022-09-04T14:36:41.784648Z",
"structure_string": "K1 Zr2 Nb1\n1.0\n-0.000000 3.599263 3.599263\n3.599263 -0.000000 3.599263\n3.599263 3.599263 0.000000\nK Zr Nb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Zr\n0.749999 0.749999 0.749999 Zr\n0.500000 0.500000 0.500000 Nb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Zr",
"Nb"
],
"chemical_system": "K-Nb-Zr",
"density": 5.59929896416653,
"density_atomic": 0.04289327924466838,
"volume": 93.25470261164978,
"volume_molar": 14.039823641482364,
"formula_full": "K1 Zr2 Nb1",
"formula_reduced": "KZr2Nb",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5203115999999994,
"spacegroup": 225
},
{
"id": "jvasp-19732",
"created_at": "2022-09-04T14:38:27.297536Z",
"updated_at": "2022-09-04T14:38:27.297562Z",
"structure_string": "Ta3 N3\n1.0\n2.635985 -4.565659 0.000000\n2.635985 4.565659 -0.000000\n-0.000000 -0.000000 2.927453\nTa N\n3 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.333334 0.666668 0.499999 Ta\n0.666668 0.333334 0.499999 Ta\n0.000000 0.500000 0.000000 N\n0.500001 0.500001 0.000000 N\n0.500000 0.000000 0.000000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"N"
],
"chemical_system": "N-Ta",
"density": 13.782800224383836,
"density_atomic": 0.0851500519217171,
"volume": 70.46384429120624,
"volume_molar": 7.072386480206108,
"formula_full": "Ta3 N3",
"formula_reduced": "TaN",
"formula_anonymous": "AB",
"energy_above_hull": 3.5202712249999992,
"spacegroup": 191
},
{
"id": "jvasp-55752",
"created_at": "2022-09-04T14:37:07.136913Z",
"updated_at": "2022-09-04T14:37:07.136939Z",
"structure_string": "K2 Co1 Pb1 N6 O12\n1.0\n6.360978 0.000000 3.672512\n2.120326 5.997188 3.672512\n0.000000 0.000000 7.345026\nK Co Pb N O\n2 1 1 6 12\ndirect\n0.750002 0.749999 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Pb\n0.809171 0.190831 0.190828 N\n0.190830 0.809171 0.809169 N\n0.190830 0.809171 0.190828 N\n0.809171 0.190831 0.809169 N\n0.809171 0.809171 0.190829 N\n0.190830 0.190831 0.809171 N\n0.357606 0.149228 0.642394 O\n0.850774 0.642393 0.149227 O\n0.149228 0.642393 0.357606 O\n0.642395 0.850771 0.357605 O\n0.149230 0.850771 0.642395 O\n0.357608 0.850771 0.149226 O\n0.642394 0.149228 0.850771 O\n0.357606 0.642393 0.850772 O\n0.642393 0.357606 0.149229 O\n0.850771 0.357606 0.642394 O\n0.850772 0.149228 0.357606 O\n0.149228 0.357606 0.850772 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Co",
"Pb",
"N",
"O"
],
"chemical_system": "Co-K-N-O-Pb",
"density": 3.676460863067429,
"density_atomic": 0.07851593133028471,
"volume": 280.1979117773553,
"volume_molar": 7.669960297187706,
"formula_full": "K2 Co1 Pb1 N6 O12",
"formula_reduced": "K2CoPb(NO2)6",
"formula_anonymous": "ABC2D6E12",
"energy_above_hull": 3.5200704190909096,
"spacegroup": 202
},
{
"id": "jvasp-35823",
"created_at": "2022-09-04T14:37:33.564392Z",
"updated_at": "2022-09-04T14:37:33.564407Z",
"structure_string": "Y1 Pt3 C1\n1.0\n4.321771 -0.000000 0.000000\n0.000000 4.321771 0.000000\n0.000000 0.000000 4.321771\nY Pt C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Pt",
"C"
],
"chemical_system": "C-Pt-Y",
"density": 14.115447569221205,
"density_atomic": 0.06194193262109283,
"volume": 80.72076198503001,
"volume_molar": 9.722235818566155,
"formula_full": "Y1 Pt3 C1",
"formula_reduced": "YPt3C",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.52002393,
"spacegroup": 221
},
{
"id": "jvasp-57732",
"created_at": "2022-09-04T14:38:33.136910Z",
"updated_at": "2022-09-04T14:38:33.136919Z",
"structure_string": "Nd2 Co8 B2\n1.0\n2.542761 -4.404191 0.000000\n2.542761 4.404191 0.000000\n0.000000 0.000000 6.839616\nNd Co B\n2 8 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.333333 0.666667 0.000000 Co\n-0.000000 0.500000 0.711904 Co\n0.500000 0.500000 0.288097 Co\n0.666667 0.333333 0.000000 Co\n-0.000000 0.500000 0.288097 Co\n0.500000 -0.000000 0.711904 Co\n0.500000 -0.000000 0.288097 Co\n0.500000 0.500000 0.711904 Co\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nd",
"Co",
"B"
],
"chemical_system": "B-Co-Nd",
"density": 8.471970661903683,
"density_atomic": 0.07833355634108113,
"volume": 153.19105324095617,
"volume_molar": 7.6878173815807695,
"formula_full": "Nd2 Co8 B2",
"formula_reduced": "NdCo4B",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.520006280555555,
"spacegroup": 191
},
{
"id": "jvasp-95354",
"created_at": "2022-09-04T14:35:50.595395Z",
"updated_at": "2022-09-04T14:35:50.595425Z",
"structure_string": "Co6 B4 O12\n1.0\n4.618195 -0.000000 0.000000\n0.000000 5.417994 0.000000\n0.000000 0.000000 8.230972\nCo B O\n6 4 12\ndirect\n0.000000 0.000000 0.000000 Co\n0.499999 0.000000 0.324430 Co\n0.000000 0.499999 0.175570 Co\n0.499999 0.000000 0.675569 Co\n0.000000 0.499999 0.824430 Co\n0.499999 0.499999 0.500000 Co\n0.039364 0.249044 0.500000 B\n0.539363 0.250955 0.000000 B\n0.960634 0.750955 0.500000 B\n0.460635 0.749043 0.000000 B\n0.307869 0.794763 0.142535 O\n0.807869 0.705234 0.642535 O\n0.192130 0.294763 0.642535 O\n0.807869 0.705234 0.357463 O\n0.192130 0.294763 0.357463 O\n0.250647 0.815254 0.500000 O\n0.750646 0.684745 0.000000 O\n0.692132 0.205236 0.142535 O\n0.749351 0.184745 0.500000 O\n0.692132 0.205236 0.857463 O\n0.307869 0.794763 0.857463 O\n0.249352 0.315255 0.000000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Co",
"B",
"O"
],
"chemical_system": "B-Co-O",
"density": 4.747680865151346,
"density_atomic": 0.10682201601820807,
"volume": 205.9500543057533,
"volume_molar": 5.637546438904048,
"formula_full": "Co6 B4 O12",
"formula_reduced": "Co3(BO3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 3.519852624242424,
"spacegroup": 58
},
{
"id": "jvasp-109667",
"created_at": "2022-09-04T14:37:59.376242Z",
"updated_at": "2022-09-04T14:37:59.376272Z",
"structure_string": "U2 Sb1 Te1\n1.0\n4.295261 -0.004626 5.748309\n1.907100 3.848670 5.748309\n-0.007464 -0.004626 7.175812\nU Sb Te\n2 1 1\ndirect\n0.250863 0.250862 0.250863 U\n0.749138 0.749136 0.749137 U\n0.000000 0.000000 0.000000 Sb\n0.500001 0.499999 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"U",
"Sb",
"Te"
],
"chemical_system": "Sb-Te-U",
"density": 10.129728207113466,
"density_atomic": 0.033637248748513475,
"volume": 118.91578975158518,
"volume_molar": 17.903190611765282,
"formula_full": "U2 Sb1 Te1",
"formula_reduced": "U2SbTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.519811466666666,
"spacegroup": 166
},
{
"id": "jvasp-45918",
"created_at": "2022-09-04T14:38:07.063985Z",
"updated_at": "2022-09-04T14:38:07.064008Z",
"structure_string": "Li1 Fe1 C2 O6\n1.0\n2.275640 1.012981 -3.809131\n-0.000000 4.002845 3.783509\n2.275639 -1.012981 3.809131\nLi Fe C O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500001 0.500000 Fe\n0.242569 0.727704 0.757432 C\n0.757432 0.272297 0.242568 C\n0.048968 0.269229 0.260599 O\n0.519140 0.730772 0.048968 O\n0.260600 0.730772 0.480860 O\n0.739401 0.269229 0.519140 O\n0.480860 0.269229 0.951032 O\n0.951032 0.730772 0.739401 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Fe",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O",
"density": 3.4956090740337866,
"density_atomic": 0.11515652241933437,
"volume": 86.83832917067176,
"volume_molar": 5.229526416289993,
"formula_full": "Li1 Fe1 C2 O6",
"formula_reduced": "LiFe(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.518653649999999,
"spacegroup": 148
},
{
"id": "jvasp-114701",
"created_at": "2022-09-04T14:38:43.306143Z",
"updated_at": "2022-09-04T14:38:43.306164Z",
"structure_string": "Ni1 C1 S1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nNi C S\n1 1 1\ndirect\n0.000000 0.000000 0.006824 Ni\n0.000000 0.000000 0.198659 C\n0.000000 0.000000 0.762223 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ni",
"C",
"S"
],
"chemical_system": "C-Ni-S",
"density": 1.1246262051966969,
"density_atomic": 0.019770506832558536,
"volume": 151.74117818059824,
"volume_molar": 30.460224469726775,
"formula_full": "Ni1 C1 S1",
"formula_reduced": "NiCS",
"formula_anonymous": "ABC",
"energy_above_hull": 3.5182541333333326,
"spacegroup": 99
}
]
}