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=updated_at&page=4533",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=4531",
"results": [
{
"id": "jvasp-118323",
"created_at": "2022-09-04T14:38:52.461994Z",
"updated_at": "2022-09-04T14:38:52.462019Z",
"structure_string": "Ta1 O2 F1\n1.0\n3.782584 0.004458 0.023353\n-0.016654 3.777331 0.648978\n-0.053085 -0.877596 4.018924\nTa O F\n1 2 1\ndirect\n0.068265 0.014682 -0.039511 Ta\n0.070786 0.509711 0.024954 O\n0.568387 0.991832 0.881687 O\n0.066144 0.025161 0.456449 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"O",
"F"
],
"chemical_system": "F-O-Ta",
"density": 6.464246238374969,
"density_atomic": 0.0671341685388181,
"volume": 59.58217830145812,
"volume_molar": 8.970306612969964,
"formula_full": "Ta1 O2 F1",
"formula_reduced": "TaO2F",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.086379120625,
"spacegroup": 6
},
{
"id": "jvasp-111931",
"created_at": "2022-09-04T14:38:52.464187Z",
"updated_at": "2022-09-04T14:38:52.464214Z",
"structure_string": "Li2 Mn2 C2 S2 O14\n1.0\n6.748492 0.000000 0.000000\n0.000000 4.968647 0.371817\n0.000000 -0.048168 8.305137\nLi Mn C S O\n2 2 2 2 14\ndirect\n0.477584 0.798132 0.810994 Li\n0.977584 0.201868 0.189006 Li\n0.250904 0.229997 0.659383 Mn\n0.750904 0.770003 0.340617 Mn\n0.249906 0.299867 0.939010 C\n0.749906 0.700133 0.060990 C\n0.756664 0.253775 0.589555 S\n0.256664 0.746225 0.410445 S\n0.777144 0.508719 0.179331 O\n0.435128 0.794203 0.314593 O\n0.081107 0.841337 0.319937 O\n0.770142 0.122094 0.433124 O\n0.233861 0.449251 0.456457 O\n0.733861 0.550749 0.543544 O\n0.277144 0.491281 0.820669 O\n0.581107 0.158663 0.680063 O\n0.935128 0.205797 0.685408 O\n0.760736 0.939392 0.122523 O\n0.260736 0.060608 0.877478 O\n0.708976 0.660924 0.920386 O\n0.270142 0.877906 0.566877 O\n0.208976 0.339076 0.079615 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Mn",
"C",
"S",
"O"
],
"chemical_system": "C-Li-Mn-O-S",
"density": 2.5981063381516227,
"density_atomic": 0.07896643842539888,
"volume": 278.59937004483015,
"volume_molar": 7.626202827533158,
"formula_full": "Li2 Mn2 C2 S2 O14",
"formula_reduced": "LiMnCSO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 3.127061067398119,
"spacegroup": 4
},
{
"id": "jvasp-120879",
"created_at": "2022-09-04T14:38:52.464771Z",
"updated_at": "2022-09-04T14:38:52.464795Z",
"structure_string": "Sr1 Be1 Br1\n1.0\n5.478461 -0.000000 -0.000000\n-2.739230 4.744486 0.000000\n0.000000 0.000000 3.857754\nSr Be Br\n1 1 1\ndirect\n0.666667 0.333334 0.000000 Sr\n0.000000 0.000000 0.000000 Be\n0.333334 0.666668 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Be",
"Br"
],
"chemical_system": "Be-Br-Sr",
"density": 2.9234828679891995,
"density_atomic": 0.02991844246393114,
"volume": 100.27259953845252,
"volume_molar": 20.12852362638907,
"formula_full": "Sr1 Be1 Br1",
"formula_reduced": "SrBeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3732921716666665,
"spacegroup": 187
},
{
"id": "jvasp-123653",
"created_at": "2022-09-04T14:38:52.465480Z",
"updated_at": "2022-09-04T14:38:52.465506Z",
"structure_string": "Se2 Cl1\n1.0\n1.899876 -3.501769 -0.076548\n2.082684 3.607313 -0.000000\n-0.069966 0.040395 5.253621\nSe Cl\n2 1\ndirect\n0.713904 0.690273 0.541355 Se\n0.286096 -0.023630 0.791977 Se\n-0.000000 0.333354 0.166667 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Se",
"Cl"
],
"chemical_system": "Cl-Se",
"density": 4.322021832156809,
"density_atomic": 0.04037971772176476,
"volume": 74.29472441267198,
"volume_molar": 14.913776271283966,
"formula_full": "Se2 Cl1",
"formula_reduced": "Se2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8336936002777777,
"spacegroup": 12
},
{
"id": "jvasp-117996",
"created_at": "2022-09-04T14:38:52.468992Z",
"updated_at": "2022-09-04T14:38:52.469021Z",
"structure_string": "Cd1 Cu1 O2\n1.0\n1.712995 0.988998 5.831861\n-1.712995 0.988998 5.831861\n-0.000000 -1.977996 5.831861\nCd Cu O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cu\n0.899208 0.899208 0.899208 O\n0.100791 0.100791 0.100791 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Cu",
"O"
],
"chemical_system": "Cd-Cu-O",
"density": 5.825191562522109,
"density_atomic": 0.0674761147428356,
"volume": 59.28023590636133,
"volume_molar": 8.924848122852852,
"formula_full": "Cd1 Cu1 O2",
"formula_reduced": "CdCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4283192999999999,
"spacegroup": 166
},
{
"id": "jvasp-117490",
"created_at": "2022-09-04T14:38:52.470544Z",
"updated_at": "2022-09-04T14:38:52.470571Z",
"structure_string": "B2 I1\n1.0\n4.410908 0.000000 0.000000\n-2.205454 3.819958 0.000000\n0.000000 0.000000 3.434477\nB I\n2 1\ndirect\n0.333334 0.666667 0.000000 B\n0.666668 0.333334 0.000000 B\n0.000000 0.000000 0.000000 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"I"
],
"chemical_system": "B-I",
"density": 4.261924549466165,
"density_atomic": 0.05184108170265087,
"volume": 57.869162862135965,
"volume_molar": 11.616541480638242,
"formula_full": "B2 I1",
"formula_reduced": "B2I",
"formula_anonymous": "AB2",
"energy_above_hull": 3.3996571472222223,
"spacegroup": 191
},
{
"id": "jvasp-120510",
"created_at": "2022-09-04T14:38:52.473308Z",
"updated_at": "2022-09-04T14:38:52.473335Z",
"structure_string": "Nb4 Cu1 Se8\n1.0\n12.912901 -0.046461 2.994247\n12.446357 3.439969 2.994247\n-0.000999 -0.000134 6.077961\nNb Cu Se\n4 1 8\ndirect\n0.373489 0.373491 0.639303 Nb\n0.873883 0.873884 0.115436 Nb\n0.626509 0.626511 0.360698 Nb\n0.126116 0.126118 0.884564 Nb\n0.000000 0.000000 0.000000 Cu\n0.941132 0.941135 0.717972 Se\n0.438401 0.438402 0.236141 Se\n0.561597 0.561599 0.763859 Se\n0.058866 0.058867 0.282029 Se\n0.690089 0.690091 0.642084 Se\n0.193150 0.193150 0.140142 Se\n0.806849 0.806852 0.859859 Se\n0.309909 0.309910 0.357916 Se\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Nb",
"Cu",
"Se"
],
"chemical_system": "Cu-Nb-Se",
"density": 6.477131195566768,
"density_atomic": 0.04753056407738993,
"volume": 273.5082204964624,
"volume_molar": 12.670038483437027,
"formula_full": "Nb4 Cu1 Se8",
"formula_reduced": "Nb4CuSe8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.0272465371794874,
"spacegroup": 12
},
{
"id": "jvasp-118915",
"created_at": "2022-09-04T14:38:52.476628Z",
"updated_at": "2022-09-04T14:38:52.476659Z",
"structure_string": "Au1 C1 N1\n1.0\n3.801396 0.000000 0.000000\n-1.900698 3.292106 -0.000000\n0.000000 0.000000 2.983768\nAu C N\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Au\n0.333333 0.666668 0.000000 C\n0.666667 0.333334 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Au",
"C",
"N"
],
"chemical_system": "Au-C-N",
"density": 9.916096927304686,
"density_atomic": 0.08034137849614059,
"volume": 37.340658775777825,
"volume_molar": 7.495690107295445,
"formula_full": "Au1 C1 N1",
"formula_reduced": "AuCN",
"formula_anonymous": "ABC",
"energy_above_hull": 4.293860273333333,
"spacegroup": 187
},
{
"id": "jvasp-121084",
"created_at": "2022-09-04T14:38:52.477303Z",
"updated_at": "2022-09-04T14:38:52.477322Z",
"structure_string": "H2 C2\n1.0\n4.012894 1.332367 -0.154910\n-1.843049 -2.494721 0.283932\n1.221912 1.571277 -4.159020\nH C\n2 2\ndirect\n0.007140 -0.328068 0.735220 H\n0.505011 -0.022272 0.063962 H\n0.505667 0.053004 0.322885 C\n0.006537 0.596727 0.476302 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.4377684196687732,
"density_atomic": 0.13301610316469736,
"volume": 30.071547014479105,
"volume_molar": 4.527377224803773,
"formula_full": "H2 C2",
"formula_reduced": "HC",
"formula_anonymous": "AB",
"energy_above_hull": 2.90946,
"spacegroup": 2
},
{
"id": "jvasp-118572",
"created_at": "2022-09-04T14:38:52.479535Z",
"updated_at": "2022-09-04T14:38:52.479562Z",
"structure_string": "As1 Ir1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nAs Ir\n1 1\ndirect\n0.000000 0.000000 0.155474 As\n0.000000 0.000000 0.844525 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"As",
"Ir"
],
"chemical_system": "As-Ir",
"density": 0.7636533118175665,
"density_atomic": 0.0034430275049691906,
"volume": 580.8841193146079,
"volume_molar": 174.90829658806018,
"formula_full": "As1 Ir1",
"formula_reduced": "AsIr",
"formula_anonymous": "AB",
"energy_above_hull": 4.803671425,
"spacegroup": 99
},
{
"id": "jvasp-116679",
"created_at": "2022-09-04T14:38:52.483664Z",
"updated_at": "2022-09-04T14:38:52.483690Z",
"structure_string": "Mg3 Fe3 P4 O16\n1.0\n5.136158 -0.005393 0.010027\n-0.582794 7.592835 -0.063099\n0.000897 -0.083072 8.261855\nMg Fe P O\n3 3 4 16\ndirect\n-0.000743 0.500226 0.500024 Mg\n0.502367 0.998195 0.000195 Mg\n0.403346 0.891598 0.641289 Mg\n0.906652 0.394429 0.865752 Fe\n0.594355 0.114218 0.361615 Fe\n0.090352 0.607482 0.135159 Fe\n0.041506 0.189881 0.195956 P\n0.536555 0.693471 0.304931 P\n0.459964 0.307304 0.697279 P\n0.961238 0.808973 0.800746 P\n0.549315 0.249698 0.868288 O\n0.693823 0.887015 0.797961 O\n0.192628 0.388182 0.699990 O\n0.955253 0.252376 0.367646 O\n0.449370 0.752501 0.134021 O\n0.052470 0.744466 0.631339 O\n0.826157 0.051310 0.138259 O\n0.552996 0.853483 0.425157 O\n0.183752 0.944639 0.855569 O\n0.676632 0.442813 0.638908 O\n0.060128 0.349159 0.080099 O\n0.805644 0.614669 0.302034 O\n0.938610 0.652465 0.920111 O\n0.436007 0.143442 0.581807 O\n0.320767 0.555065 0.359620 O\n0.310880 0.112957 0.196235 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Mg",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Mg-O-P",
"density": 3.197617589966989,
"density_atomic": 0.08070941062556898,
"volume": 322.1433510476302,
"volume_molar": 7.461510018872779,
"formula_full": "Mg3 Fe3 P4 O16",
"formula_reduced": "Mg3Fe3(PO4)4",
"formula_anonymous": "A3B3C4D16",
"energy_above_hull": 2.778082371153846,
"spacegroup": 1
},
{
"id": "jvasp-118922",
"created_at": "2022-09-04T14:38:52.484501Z",
"updated_at": "2022-09-04T14:38:52.484532Z",
"structure_string": "Au1 C2\n1.0\n5.200917 -0.116231 0.159918\n-2.657260 -3.316420 -0.260394\n-1.823733 0.173142 -2.534919\nAu C\n1 2\ndirect\n0.837617 0.782591 -0.078384 Au\n0.491271 0.782645 0.053018 C\n0.183945 0.782527 0.790212 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Au",
"C"
],
"chemical_system": "Au-C",
"density": 8.407860759250386,
"density_atomic": 0.06873675688677526,
"volume": 43.64477080205672,
"volume_molar": 8.761165106930788,
"formula_full": "Au1 C2",
"formula_reduced": "AuC2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.1071925233333335,
"spacegroup": 12
}
]
}