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=3879",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=3877",
"results": [
{
"id": "jvasp-40652",
"created_at": "2022-09-04T14:38:30.586283Z",
"updated_at": "2022-09-04T14:38:30.586309Z",
"structure_string": "Ba2 Tb2 Mn4 O10\n1.0\n5.559772 -0.000000 -0.000000\n0.000000 5.559772 -0.000000\n-0.000000 -0.000000 7.579282\nTb Ba Mn O\n2 2 4 10\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.728952 Mn\n0.500000 0.000000 0.271048 Mn\n0.000000 0.500000 0.271063 Mn\n0.500000 0.000000 0.728937 Mn\n0.250000 0.750000 0.689780 O\n0.250000 0.250000 0.689780 O\n0.750000 0.750000 0.689780 O\n0.750000 0.250000 0.689780 O\n0.750000 0.250000 0.310220 O\n0.250000 0.250000 0.310220 O\n0.750000 0.750000 0.310220 O\n0.000000 0.500000 0.000001 O\n0.250000 0.750000 0.310220 O\n0.500000 0.000000 -0.000001 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Tb",
"Ba",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O-Tb",
"density": 6.891050178223918,
"density_atomic": 0.0768299366407275,
"volume": 234.28367622078983,
"volume_molar": 7.838273755399229,
"formula_full": "Ba2 Tb2 Mn4 O10",
"formula_reduced": "BaTbMn2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.5646107058620684,
"spacegroup": 123
},
{
"id": "jvasp-19784",
"created_at": "2022-09-04T14:38:30.588652Z",
"updated_at": "2022-09-04T14:38:30.588683Z",
"structure_string": "Th4 Au2\n1.0\n5.279656 0.000000 2.993668\n2.639828 5.290208 1.496834\n0.030459 -0.000000 6.098736\nTh Au\n4 2\ndirect\n0.658090 0.183821 0.500000 Th\n0.841912 0.500000 0.816179 Th\n0.341911 0.816179 0.500000 Th\n0.158090 0.500000 0.183821 Th\n0.750001 0.000000 -0.000000 Au\n0.250000 0.000000 -0.000000 Au\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Au"
],
"chemical_system": "Au-Th",
"density": 12.924745565149369,
"density_atomic": 0.035323575195344105,
"volume": 169.85823113371723,
"volume_molar": 17.048502952197662,
"formula_full": "Th4 Au2",
"formula_reduced": "Th2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 1.969996256666667,
"spacegroup": 140
},
{
"id": "jvasp-17380",
"created_at": "2022-09-04T14:38:30.592856Z",
"updated_at": "2022-09-04T14:38:30.592882Z",
"structure_string": "Ba2 Cu2 P2\n1.0\n2.118886 -3.670019 -0.000000\n2.118886 3.670019 -0.000000\n-0.000000 -0.000000 9.201026\nBa Cu P\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333334 0.666668 0.750000 Cu\n0.666668 0.333334 0.250000 Cu\n0.666668 0.333334 0.750000 P\n0.333334 0.666668 0.250000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"P"
],
"chemical_system": "Ba-Cu-P",
"density": 5.380689983994759,
"density_atomic": 0.04192847750110454,
"volume": 143.10083164460096,
"volume_molar": 14.36288918394749,
"formula_full": "Ba2 Cu2 P2",
"formula_reduced": "BaCuP",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4065939733333333,
"spacegroup": 194
},
{
"id": "jvasp-16726",
"created_at": "2022-09-04T14:38:30.599547Z",
"updated_at": "2022-09-04T14:38:30.599586Z",
"structure_string": "Cu3 Pt1\n1.0\n3.732669 0.000000 -0.000000\n0.000000 3.732669 0.000000\n-0.000000 -0.000000 3.732669\nCu Pt\n3 1\ndirect\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Pt"
],
"chemical_system": "Cu-Pt",
"density": 12.315869194092112,
"density_atomic": 0.07691331880909183,
"volume": 52.00659732196038,
"volume_molar": 7.829776238037111,
"formula_full": "Cu3 Pt1",
"formula_reduced": "Cu3Pt",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3042806875,
"spacegroup": 221
},
{
"id": "jvasp-20117",
"created_at": "2022-09-04T14:38:30.599620Z",
"updated_at": "2022-09-04T14:38:30.599647Z",
"structure_string": "Nb5 Ga13\n1.0\n3.776151 0.000000 -0.353696\n0.000000 3.781084 0.000000\n0.021340 0.000000 20.562308\nNb Ga\n5 13\ndirect\n0.500000 0.000000 -0.000000 Nb\n0.284266 0.000000 0.568534 Nb\n0.892309 0.500000 0.784617 Nb\n0.107691 0.500000 0.215383 Nb\n0.715733 0.000000 0.431466 Nb\n0.771517 0.500000 0.543035 Ga\n0.387978 0.000000 0.775955 Ga\n0.612022 0.000000 0.224045 Ga\n0.164830 0.000000 0.329661 Ga\n0.445213 0.500000 0.890428 Ga\n0.945406 0.000000 0.890814 Ga\n0.000000 0.500000 0.000000 Ga\n0.228483 0.500000 0.456965 Ga\n0.664387 0.500000 0.328774 Ga\n0.335613 0.500000 0.671226 Ga\n0.554787 0.500000 0.109572 Ga\n0.054593 0.000000 0.109186 Ga\n0.835169 0.000000 0.670339 Ga\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Nb",
"Ga"
],
"chemical_system": "Ga-Nb",
"density": 7.753270025306845,
"density_atomic": 0.061304556069076685,
"volume": 293.6160239007029,
"volume_molar": 9.823316807341984,
"formula_full": "Nb5 Ga13",
"formula_reduced": "Nb5Ga13",
"formula_anonymous": "A5B13",
"energy_above_hull": 1.5037420680555555,
"spacegroup": 65
},
{
"id": "jvasp-17424",
"created_at": "2022-09-04T14:38:30.601024Z",
"updated_at": "2022-09-04T14:38:30.601047Z",
"structure_string": "Tm2 Al4 Ni2\n1.0\n4.054517 0.000000 -0.000000\n-2.027259 4.976714 -0.000000\n-0.000000 -0.000000 6.864470\nTm Al Ni\n2 4 2\ndirect\n0.062370 0.124739 0.750000 Tm\n0.937630 0.875260 0.250000 Tm\n0.347369 0.694739 0.553319 Al\n0.652631 0.305260 0.446681 Al\n0.347369 0.694739 0.946681 Al\n0.652631 0.305260 0.053319 Al\n0.215097 0.430194 0.250000 Ni\n0.784903 0.569805 0.750000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tm",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Tm",
"density": 6.751628848428879,
"density_atomic": 0.05775653975330245,
"volume": 138.5124530342483,
"volume_molar": 10.426768614814154,
"formula_full": "Tm2 Al4 Ni2",
"formula_reduced": "TmAl2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2683355625,
"spacegroup": 63
},
{
"id": "jvasp-28758",
"created_at": "2022-09-04T14:38:30.601232Z",
"updated_at": "2022-09-04T14:38:30.601261Z",
"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.225266 0.000000 0.000000\n-1.612633 2.793205 -0.000325\n0.000000 -0.004148 32.877324\nMo W Se S\n2 2 2 6\ndirect\n0.333489 0.666975 0.089969 Mo\n0.666662 0.333320 0.279463 Mo\n0.333437 0.666870 0.468520 W\n0.666417 0.332830 0.664966 W\n0.333126 0.666250 0.717259 Se\n0.333037 0.666072 0.612608 Se\n0.333285 0.666568 0.326780 S\n0.666543 0.333081 0.042683 S\n0.666746 0.333487 0.420953 S\n0.667120 0.334238 0.137296 S\n0.666817 0.333629 0.516110 S\n0.333333 0.666666 0.232142 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.101097669471311,
"density_atomic": 0.04051505582997158,
"volume": 296.18618940968685,
"volume_molar": 14.863957698276295,
"formula_full": "Mo2 W2 Se2 S6",
"formula_reduced": "MoWSeS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.754311544444444,
"spacegroup": 156
},
{
"id": "jvasp-44534",
"created_at": "2022-09-04T14:38:30.601808Z",
"updated_at": "2022-09-04T14:38:30.601831Z",
"structure_string": "Li6 Zn2 P2 C2 O14\n1.0\n0.000000 5.037112 -0.013387\n6.432965 0.000000 0.000000\n0.000000 -0.231955 -8.361552\nLi Zn P C O\n6 2 2 2 14\ndirect\n0.045059 0.524010 0.002276 Li\n0.421103 0.212552 0.812473 Li\n0.445815 0.392117 0.469460 Li\n0.554185 0.892117 0.530540 Li\n0.578898 0.712553 0.187527 Li\n0.954942 0.024010 0.997724 Li\n0.045806 0.748518 0.715852 Zn\n0.954194 0.248517 0.284148 Zn\n0.041153 0.750393 0.335750 P\n0.958848 0.250393 0.664250 P\n0.537767 0.736276 0.877511 C\n0.462233 0.236276 0.122489 C\n0.923696 0.564373 0.237444 O\n0.959179 0.940347 0.232186 O\n0.544148 0.252835 0.270331 O\n0.343259 0.726180 0.367789 O\n0.895935 0.767979 0.497276 O\n0.104065 0.267978 0.502724 O\n0.374109 0.703232 0.990480 O\n0.455853 0.752836 0.729669 O\n0.040821 0.440346 0.767814 O\n0.076304 0.064373 0.762557 O\n0.790059 0.755796 0.912484 O\n0.209942 0.255796 0.087516 O\n0.656741 0.226180 0.632211 O\n0.625891 0.203232 0.009520 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"Zn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-O-P-Zn",
"density": 2.9564243189573673,
"density_atomic": 0.0959536809184328,
"volume": 270.96407090522956,
"volume_molar": 6.27609144574582,
"formula_full": "Li6 Zn2 P2 C2 O14",
"formula_reduced": "Li3ZnPCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.330573107692308,
"spacegroup": 4
},
{
"id": "jvasp-26908",
"created_at": "2022-09-04T14:38:30.602078Z",
"updated_at": "2022-09-04T14:38:30.602095Z",
"structure_string": "Ho8 Ni2 B28\n1.0\n7.203376 -0.000000 -0.000000\n0.000000 7.203376 0.000000\n-0.000000 -0.000000 7.486567\nHo Ni B\n8 2 28\ndirect\n0.193318 0.331357 0.000000 Ho\n0.668643 0.193318 0.000000 Ho\n0.331357 0.806683 0.000000 Ho\n0.693318 0.168643 0.500000 Ho\n0.306683 0.831357 0.500000 Ho\n0.806683 0.668643 0.000000 Ho\n0.831357 0.693318 0.500000 Ho\n0.168643 0.306683 0.500000 Ho\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.539151 0.674896 0.733017 B\n0.089221 0.589222 0.250000 B\n0.410779 0.089221 0.250000 B\n0.589222 0.910779 0.250000 B\n0.910779 0.410779 0.250000 B\n0.000000 0.000000 0.388921 B\n0.589222 0.910779 0.750000 B\n0.410779 0.089221 0.750000 B\n0.089221 0.589222 0.750000 B\n0.460849 0.325105 0.733017 B\n0.500000 0.500000 0.111079 B\n0.910779 0.410779 0.750000 B\n0.174895 0.039151 0.766984 B\n0.825105 0.960850 0.766984 B\n0.325105 0.539151 0.733017 B\n0.960850 0.174895 0.766984 B\n0.039151 0.825105 0.766984 B\n0.000000 0.000000 0.611079 B\n0.460849 0.325105 0.266983 B\n0.539151 0.674896 0.266983 B\n0.825105 0.960850 0.233017 B\n0.325105 0.539151 0.266983 B\n0.674896 0.460849 0.266983 B\n0.039151 0.825105 0.233017 B\n0.960850 0.174895 0.233017 B\n0.174895 0.039151 0.233017 B\n0.674896 0.460849 0.733017 B\n0.500000 0.500000 0.888921 B\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Ho",
"Ni",
"B"
],
"chemical_system": "B-Ho-Ni",
"density": 7.43580467724515,
"density_atomic": 0.09782023726912291,
"volume": 388.4676735699838,
"volume_molar": 6.1563342393373,
"formula_full": "Ho8 Ni2 B28",
"formula_reduced": "Ho4NiB14",
"formula_anonymous": "AB4C14",
"energy_above_hull": 4.5666816228070175,
"spacegroup": 128
},
{
"id": "jvasp-19610",
"created_at": "2022-09-04T14:38:30.604029Z",
"updated_at": "2022-09-04T14:38:30.604062Z",
"structure_string": "Nd1 Zn1\n1.0\n3.674008 -0.000000 0.000000\n-0.000000 3.674008 0.000000\n-0.000000 -0.000000 3.674008\nNd Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nd",
"Zn"
],
"chemical_system": "Nd-Zn",
"density": 7.019816227430147,
"density_atomic": 0.040328280280585944,
"volume": 49.59298998332942,
"volume_molar": 14.932798319443991,
"formula_full": "Nd1 Zn1",
"formula_reduced": "NdZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.5650776000000001,
"spacegroup": 221
},
{
"id": "jvasp-56552",
"created_at": "2022-09-04T14:38:30.604793Z",
"updated_at": "2022-09-04T14:38:30.604811Z",
"structure_string": "Pr8 Ge6\n1.0\n7.538421 0.000000 -2.665235\n-3.769211 6.528464 -2.665235\n0.000000 -0.000000 7.995704\nPr Ge\n8 6\ndirect\n0.369225 0.500000 0.000000 Pr\n0.869225 0.500000 0.000001 Pr\n0.630775 0.630774 0.630775 Pr\n0.500000 -0.000000 0.369225 Pr\n0.130775 0.130775 0.130775 Pr\n-0.000000 0.869225 0.500000 Pr\n0.500000 -0.000000 0.869225 Pr\n-0.000000 0.369225 0.500000 Pr\n0.875000 0.125000 0.750000 Ge\n0.750000 0.874999 0.125001 Ge\n0.250000 0.625000 0.375000 Ge\n0.625000 0.375000 0.250000 Ge\n0.125000 0.750000 0.875000 Ge\n0.375000 0.250000 0.625000 Ge\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Pr",
"Ge"
],
"chemical_system": "Ge-Pr",
"density": 6.596112956295368,
"density_atomic": 0.035577868526719104,
"volume": 393.5030562464964,
"volume_molar": 16.926648530047135,
"formula_full": "Pr8 Ge6",
"formula_reduced": "Pr4Ge3",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.3751710357142857,
"spacegroup": 220
},
{
"id": "jvasp-12896",
"created_at": "2022-09-04T14:38:30.605583Z",
"updated_at": "2022-09-04T14:38:30.605611Z",
"structure_string": "Pt4 I8\n1.0\n0.000000 6.711074 0.050032\n8.701878 0.000000 0.000000\n0.000000 -1.510726 -6.777316\nPt I\n4 8\ndirect\n0.239024 0.626957 0.496829 Pt\n0.760975 0.126957 0.003172 Pt\n0.760975 0.373043 0.503172 Pt\n0.239024 0.873043 -0.003171 Pt\n0.463861 0.833210 0.733405 I\n0.536138 0.333210 0.766596 I\n0.536138 0.166791 0.266595 I\n0.463861 0.666791 0.233405 I\n0.984193 0.914481 0.229377 I\n0.015806 0.414481 0.270623 I\n0.015806 0.085519 0.770623 I\n0.984193 0.585519 0.729378 I\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pt",
"I"
],
"chemical_system": "I-Pt",
"density": 7.545906675882588,
"density_atomic": 0.030369721684435,
"volume": 395.1303908771151,
"volume_molar": 19.82942360346506,
"formula_full": "Pt4 I8",
"formula_reduced": "PtI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.54438465,
"spacegroup": 14
}
]
}