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=1597",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1595",
"results": [
{
"id": "jvasp-65412",
"created_at": "2022-09-04T14:35:50.735856Z",
"updated_at": "2022-09-04T14:35:50.735882Z",
"structure_string": "Ba1 Zn1 P2\n1.0\n3.304572 -3.305617 0.000000\n3.304572 3.305617 0.000000\n0.000000 0.000000 4.338564\nBa Zn P\n1 1 2\ndirect\n-0.000000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"P"
],
"chemical_system": "Ba-P-Zn",
"density": 4.636948256842303,
"density_atomic": 0.042200367725481906,
"volume": 94.7859039053983,
"volume_molar": 14.270351384553559,
"formula_full": "Ba1 Zn1 P2",
"formula_reduced": "BaZnP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0059918425,
"spacegroup": 123
},
{
"id": "jvasp-70430",
"created_at": "2022-09-04T14:36:09.133122Z",
"updated_at": "2022-09-04T14:36:09.133141Z",
"structure_string": "Li1 Be2 Ga1\n1.0\n-1.980845 1.980845 2.799824\n1.980845 -1.980845 2.799824\n1.980845 1.980845 -2.799824\nLi Be Ga\n1 2 1\ndirect\n0.749998 0.250000 0.499999 Li\n0.000000 0.000000 0.000000 Be\n0.250000 0.749998 0.499999 Be\n0.499999 0.499999 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Ga"
],
"chemical_system": "Be-Ga-Li",
"density": 3.5781125728987493,
"density_atomic": 0.09102659151051981,
"volume": 43.94320311925253,
"volume_molar": 6.615803865735246,
"formula_full": "Li1 Be2 Ga1",
"formula_reduced": "LiBe2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.00609613125,
"spacegroup": 216
},
{
"id": "jvasp-65289",
"created_at": "2022-09-04T14:35:44.765674Z",
"updated_at": "2022-09-04T14:35:44.765707Z",
"structure_string": "Na4 Be1 Tc1\n1.0\n0.000000 3.994858 3.994858\n3.994858 -0.000000 3.994858\n3.994858 3.994858 -0.000000\nNa Be Tc\n4 1 1\ndirect\n0.125573 0.624810 0.624810 Na\n0.624810 0.624810 0.624810 Na\n0.624810 0.125573 0.624810 Na\n0.624810 0.624810 0.125573 Na\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Be",
"Tc"
],
"chemical_system": "Be-Na-Tc",
"density": 2.5912267009669607,
"density_atomic": 0.0470562392036979,
"volume": 127.50700229202533,
"volume_molar": 12.797751928136988,
"formula_full": "Na4 Be1 Tc1",
"formula_reduced": "Na4BeTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.006103933333334,
"spacegroup": 216
},
{
"id": "jvasp-40214",
"created_at": "2022-09-04T14:38:03.386916Z",
"updated_at": "2022-09-04T14:38:03.386937Z",
"structure_string": "Ca4 Sn4 S12\n1.0\n6.591084 0.000000 0.000000\n-0.000000 6.919671 0.000000\n0.000000 0.000000 10.022957\nCa Sn S\n4 4 12\ndirect\n0.758388 0.250000 0.899160 Ca\n0.258388 0.250000 0.600840 Ca\n0.241612 0.750000 0.100840 Ca\n0.741611 0.750000 0.399160 Ca\n0.129055 0.250000 0.244965 Sn\n0.629054 0.250000 0.255035 Sn\n0.870945 0.750000 0.755035 Sn\n0.370945 0.750000 0.744965 Sn\n0.611590 0.004077 0.653937 S\n0.111591 0.495923 0.846063 S\n0.611590 0.495923 0.653937 S\n0.111591 0.004077 0.846063 S\n0.388409 0.995923 0.346063 S\n0.402064 0.250000 0.049948 S\n0.597935 0.750000 0.950052 S\n0.097936 0.750000 0.549948 S\n0.888409 0.995923 0.153937 S\n0.902064 0.250000 0.450052 S\n0.888409 0.504077 0.153937 S\n0.388409 0.504077 0.346063 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.70494832865328,
"density_atomic": 0.04375138803643233,
"volume": 457.1283540386364,
"volume_molar": 13.764456467038915,
"formula_full": "Ca4 Sn4 S12",
"formula_reduced": "CaSnS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.006234424,
"spacegroup": 62
},
{
"id": "jvasp-4101",
"created_at": "2022-09-04T14:36:31.271050Z",
"updated_at": "2022-09-04T14:36:31.271077Z",
"structure_string": "Bi2 Te2 Se1\n1.0\n4.282939 0.014769 9.640526\n2.056958 3.756689 9.640526\n0.024828 0.014769 10.549061\nBi Te Se\n2 2 1\ndirect\n0.606175 0.606175 0.606174 Bi\n0.393825 0.393825 0.393824 Bi\n0.215005 0.215005 0.215005 Te\n0.784996 0.784996 0.784995 Te\n0.000000 0.000000 0.000000 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Bi",
"Te",
"Se"
],
"chemical_system": "Bi-Se-Te",
"density": 7.425338415952762,
"density_atomic": 0.029726895697443814,
"volume": 168.19785190116386,
"volume_molar": 20.258222793568844,
"formula_full": "Bi2 Te2 Se1",
"formula_reduced": "Bi2Te2Se",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.0063135,
"spacegroup": 166
},
{
"id": "jvasp-116383",
"created_at": "2022-09-04T14:38:31.056992Z",
"updated_at": "2022-09-04T14:38:31.057015Z",
"structure_string": "Li1 As1 Au1\n1.0\n2.774832 0.000000 -0.000000\n-0.000000 2.774832 0.000000\n-0.000000 0.000000 7.660648\nLi As Au\n1 1 1\ndirect\n0.000000 0.000000 0.003405 Li\n0.000000 0.000000 0.327388 As\n0.000000 0.000000 0.690128 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"As",
"Au"
],
"chemical_system": "As-Au-Li",
"density": 7.849615896714274,
"density_atomic": 0.05086070301878962,
"volume": 58.98463493301893,
"volume_molar": 11.840459141461773,
"formula_full": "Li1 As1 Au1",
"formula_reduced": "LiAsAu",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0064631066666667,
"spacegroup": 99
},
{
"id": "jvasp-106894",
"created_at": "2022-09-04T14:36:50.799668Z",
"updated_at": "2022-09-04T14:36:50.799690Z",
"structure_string": "Li2 Mn2 O2 F4\n1.0\n4.465087 0.002292 2.773792\n-1.736278 4.567130 -2.189567\n-0.022353 0.029637 5.016583\nLi Mn O F\n2 2 2 4\ndirect\n0.410646 0.342065 0.446314 Li\n0.981141 0.842001 0.946264 Li\n0.733533 0.212785 0.734703 Mn\n0.240598 0.712795 0.234710 Mn\n0.362994 0.998143 0.025049 O\n0.106144 0.498163 0.525076 O\n0.002472 0.014050 0.662332 F\n0.632268 0.960287 0.326487 F\n0.497614 0.460326 0.826507 F\n0.845283 0.514030 0.162360 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.745253246670272,
"density_atomic": 0.09732208546945044,
"volume": 102.75160002750883,
"volume_molar": 6.187845986808782,
"formula_full": "Li2 Mn2 O2 F4",
"formula_reduced": "LiMnOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.006466261275862,
"spacegroup": 9
},
{
"id": "jvasp-9112",
"created_at": "2022-09-04T14:37:41.669233Z",
"updated_at": "2022-09-04T14:37:41.669254Z",
"structure_string": "Ho3 Ni9\n1.0\n4.729185 0.004595 7.164056\n2.154770 4.209772 7.164056\n0.007505 0.004595 8.584219\nHo Ni\n3 9\ndirect\n0.861281 0.861283 0.861282 Ho\n0.138719 0.138719 0.138719 Ho\n0.000000 0.000000 0.000000 Ho\n0.416924 0.416926 0.919087 Ni\n0.416924 0.919088 0.416925 Ni\n0.919086 0.416926 0.416925 Ni\n0.500000 0.500001 0.500000 Ni\n0.333139 0.333140 0.333139 Ni\n0.666860 0.666862 0.666861 Ni\n0.583075 0.080914 0.583075 Ni\n0.583075 0.583076 0.080914 Ni\n0.080913 0.583076 0.583075 Ni\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ho",
"Ni"
],
"chemical_system": "Ho-Ni",
"density": 9.963215619177682,
"density_atomic": 0.07037892778399123,
"volume": 170.50558139832282,
"volume_molar": 8.556738429552812,
"formula_full": "Ho3 Ni9",
"formula_reduced": "HoNi3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0065706916666668,
"spacegroup": 166
},
{
"id": "jvasp-35851",
"created_at": "2022-09-04T14:37:33.405357Z",
"updated_at": "2022-09-04T14:37:33.405377Z",
"structure_string": "Ce2 Sb2 Au2\n1.0\n2.368527 -4.102409 -0.000000\n2.368527 4.102409 0.000000\n0.000000 0.000000 7.843610\nCe Sb Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.333334 0.666668 0.750000 Sb\n0.666668 0.333334 0.250000 Sb\n0.333334 0.666668 0.250000 Au\n0.666668 0.333334 0.750000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Sb",
"Au"
],
"chemical_system": "Au-Ce-Sb",
"density": 9.997226057102784,
"density_atomic": 0.039362979775892294,
"volume": 152.42748476259098,
"volume_molar": 15.298996148884635,
"formula_full": "Ce2 Sb2 Au2",
"formula_reduced": "CeSbAu",
"formula_anonymous": "ABC",
"energy_above_hull": 1.006583056666667,
"spacegroup": 194
},
{
"id": "jvasp-63353",
"created_at": "2022-09-04T14:36:00.881717Z",
"updated_at": "2022-09-04T14:36:00.881740Z",
"structure_string": "Ce2 Sb2 Au2\n1.0\n2.367661 -4.101096 0.000000\n2.367661 4.101096 -0.000000\n0.000000 0.000000 7.852515\nCe Sb Au\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.333330 0.666669 0.750000 Sb\n0.666669 0.333330 0.250000 Sb\n0.333341 0.666659 0.250000 Au\n0.666659 0.333341 0.750000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Sb",
"Au"
],
"chemical_system": "Au-Ce-Sb",
"density": 9.992739578701178,
"density_atomic": 0.03934531475985898,
"volume": 152.49592071179316,
"volume_molar": 15.305864997536961,
"formula_full": "Ce2 Sb2 Au2",
"formula_reduced": "CeSbAu",
"formula_anonymous": "ABC",
"energy_above_hull": 1.006593056666667,
"spacegroup": 194
},
{
"id": "jvasp-97895",
"created_at": "2022-09-04T14:35:53.528149Z",
"updated_at": "2022-09-04T14:35:53.528169Z",
"structure_string": "Tc8 Br32\n1.0\n6.385551 0.000000 0.000000\n-0.000000 12.223724 0.000000\n0.000000 0.000000 14.864993\nTc Br\n8 32\ndirect\n0.405617 0.629871 0.178555 Tc\n0.594383 0.370129 0.821445 Tc\n0.905617 0.870128 0.821445 Tc\n0.594383 0.129871 0.321445 Tc\n0.405617 0.870128 0.678555 Tc\n0.094383 0.129871 0.178555 Tc\n0.905617 0.629871 0.321445 Tc\n0.094383 0.370129 0.678555 Tc\n0.442064 0.251815 0.431987 Br\n0.234234 0.988201 0.808902 Br\n0.557935 0.751815 0.068013 Br\n0.057936 0.748185 0.931987 Br\n0.746351 0.007297 0.431844 Br\n0.942064 0.251815 0.068013 Br\n0.734234 0.988201 0.691098 Br\n0.765766 0.488201 0.691098 Br\n0.576943 0.752589 0.808647 Br\n0.423057 0.247411 0.191353 Br\n0.765766 0.011798 0.191098 Br\n0.234234 0.511798 0.308902 Br\n0.253649 0.992702 0.568156 Br\n0.265766 0.011798 0.308902 Br\n0.253649 0.507297 0.068156 Br\n0.076943 0.752589 0.691353 Br\n0.442064 0.248185 0.931987 Br\n0.734234 0.511798 0.191098 Br\n0.746351 0.492702 0.931844 Br\n0.923057 0.252589 0.808647 Br\n0.942064 0.248185 0.568012 Br\n0.923057 0.247411 0.308647 Br\n0.246351 0.007297 0.068156 Br\n0.057936 0.751815 0.431987 Br\n0.246351 0.492702 0.568156 Br\n0.753649 0.507297 0.431844 Br\n0.076943 0.747410 0.191353 Br\n0.557935 0.748185 0.568012 Br\n0.753649 0.992702 0.931844 Br\n0.265766 0.488201 0.808902 Br\n0.576943 0.747410 0.308647 Br\n0.423057 0.252589 0.691353 Br\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Tc",
"Br"
],
"chemical_system": "Br-Tc",
"density": 4.78133960489671,
"density_atomic": 0.03447413429083336,
"volume": 1160.2901950357593,
"volume_molar": 17.46857719238299,
"formula_full": "Tc8 Br32",
"formula_reduced": "TcBr4",
"formula_anonymous": "AB4",
"energy_above_hull": 1.0066955839999996,
"spacegroup": 61
},
{
"id": "jvasp-31186",
"created_at": "2022-09-04T14:38:28.646131Z",
"updated_at": "2022-09-04T14:38:28.646155Z",
"structure_string": "Ag2 Au2 S4\n1.0\n4.805214 0.000000 0.000000\n0.000000 5.582922 0.000000\n0.000000 0.000000 7.763616\nAg Au S\n2 2 4\ndirect\n0.000000 0.500000 0.250000 Ag\n0.000000 0.500000 0.750000 Ag\n0.500000 0.000000 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.675106 0.381376 0.000000 S\n0.675106 0.618623 0.500000 S\n0.324894 0.381376 0.500000 S\n0.324894 0.618623 0.000000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Au",
"S"
],
"chemical_system": "Ag-Au-S",
"density": 5.8833630929191845,
"density_atomic": 0.038410649120802415,
"volume": 208.2755741731885,
"volume_molar": 15.67831030675952,
"formula_full": "Ag2 Au2 S4",
"formula_reduced": "AgAuS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0067687075,
"spacegroup": 49
}
]
}