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=nsites&page=3551",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3549",
"results": [
{
"id": "jvasp-43193",
"created_at": "2022-09-04T14:37:01.806236Z",
"updated_at": "2022-09-04T14:37:01.806264Z",
"structure_string": "Li2 V3 Cu1 O8\n1.0\n5.917422 0.096380 0.068151\n3.042178 5.076448 0.068151\n3.042178 1.756402 4.763404\nLi V Cu O\n2 3 1 8\ndirect\n0.123616 0.123616 0.123616 Li\n0.498676 0.498676 0.498675 Li\n0.000632 0.501085 0.501084 V\n0.501085 0.000631 0.501084 V\n0.501085 0.501085 0.000631 V\n0.876438 0.876438 0.876437 Cu\n0.260115 0.260115 0.260115 O\n0.249237 0.249236 0.713377 O\n0.249237 0.713378 0.249236 O\n0.713377 0.249236 0.249236 O\n0.288756 0.747464 0.747463 O\n0.747464 0.288756 0.747463 O\n0.747464 0.747464 0.288755 O\n0.742826 0.742825 0.742824 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O-V",
"density": 4.239577728727271,
"density_atomic": 0.09977417132294701,
"volume": 140.31687574417515,
"volume_molar": 6.035771262391803,
"formula_full": "Li2 V3 Cu1 O8",
"formula_reduced": "Li2V3CuO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.780053646428572,
"spacegroup": 160
},
{
"id": "jvasp-13358",
"created_at": "2022-09-04T14:37:02.059856Z",
"updated_at": "2022-09-04T14:37:02.059875Z",
"structure_string": "Al5 Cu1 Se8\n1.0\n7.503843 0.000000 -0.000000\n3.751922 6.498519 0.000000\n3.751922 2.166173 6.126862\nAl Cu Se\n5 1 8\ndirect\n0.250000 0.250000 0.250000 Al\n0.104198 0.631934 0.631934 Al\n0.631934 0.631934 0.104198 Al\n0.631934 0.104198 0.631934 Al\n0.631934 0.631934 0.631934 Al\n0.000000 0.000000 0.000000 Cu\n0.383604 0.383604 0.383604 Se\n0.383603 0.849188 0.383604 Se\n0.383604 0.383604 0.849187 Se\n0.849187 0.383604 0.383604 Se\n0.393879 0.868707 0.868707 Se\n0.868706 0.868707 0.393880 Se\n0.868706 0.393879 0.868707 Se\n0.868706 0.868707 0.868707 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Se"
],
"chemical_system": "Al-Cu-Se",
"density": 4.613822771404699,
"density_atomic": 0.0468588693375346,
"volume": 298.76947945873303,
"volume_molar": 12.851656143517278,
"formula_full": "Al5 Cu1 Se8",
"formula_reduced": "Al5CuSe8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 1.6308058130952383,
"spacegroup": 216
},
{
"id": "jvasp-101783",
"created_at": "2022-09-04T14:36:52.082067Z",
"updated_at": "2022-09-04T14:36:52.082097Z",
"structure_string": "H8 C4 O2\n1.0\n4.069620 0.032888 0.302795\n1.397981 4.168892 0.606901\n0.130880 -0.055380 6.224555\nH C O\n8 4 2\ndirect\n0.050512 0.704817 0.879576 H\n0.372522 0.768629 0.027884 H\n0.665023 0.702807 0.660280 H\n0.285767 0.769319 0.514280 H\n0.949488 0.295182 0.120424 H\n0.627478 0.231371 0.972116 H\n0.334976 0.297193 0.339720 H\n0.714232 0.230681 0.485720 H\n0.858324 0.110170 0.067866 C\n0.560934 0.110303 0.413804 C\n0.141675 0.889830 0.932134 C\n0.439065 0.889697 0.586196 C\n0.772510 0.915534 0.253587 O\n0.227490 0.084466 0.746412 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.3897898633565036,
"density_atomic": 0.13299243292086652,
"volume": 105.26914721779933,
"volume_molar": 4.528183015933927,
"formula_full": "H8 C4 O2",
"formula_reduced": "H4C2O",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.9942905,
"spacegroup": 2
},
{
"id": "jvasp-57319",
"created_at": "2022-09-04T14:36:51.162990Z",
"updated_at": "2022-09-04T14:36:51.163017Z",
"structure_string": "Ba2 Y1 Fe3 O8\n1.0\n3.916783 0.000000 0.000000\n0.000000 3.916783 -0.000000\n0.000000 -0.000000 11.749085\nBa Y Fe O\n2 1 3 8\ndirect\n0.500000 0.500000 0.168965 Ba\n0.500000 0.500000 0.831035 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.344266 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.655735 Fe\n0.000000 0.500000 0.380503 O\n0.500000 0.000000 0.380503 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.184995 O\n0.000000 0.500000 0.619497 O\n0.500000 0.000000 0.619497 O\n0.000000 0.000000 0.815005 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O-Y",
"density": 6.0719863236913705,
"density_atomic": 0.07767208575729716,
"volume": 180.24493437379752,
"volume_molar": 7.753288329114079,
"formula_full": "Ba2 Y1 Fe3 O8",
"formula_reduced": "Ba2YFe3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.6568158492857137,
"spacegroup": 123
},
{
"id": "jvasp-43906",
"created_at": "2022-09-04T14:37:01.265809Z",
"updated_at": "2022-09-04T14:37:01.265831Z",
"structure_string": "Na6 V2 O6\n1.0\n5.752193 0.103556 -0.106256\n0.321571 5.877081 -0.056262\n0.051456 2.693282 5.771378\nNa V O\n6 2 6\ndirect\n0.061447 0.769217 0.446350 Na\n0.150190 0.763435 0.979172 Na\n0.425205 0.277419 0.749817 Na\n0.574795 0.722581 0.250183 Na\n0.849810 0.236565 0.020828 Na\n0.938553 0.230783 0.553650 Na\n0.376450 0.199966 0.296007 V\n0.623550 0.800034 0.703993 V\n0.237292 0.090866 0.107770 O\n0.248879 0.465510 0.351646 O\n0.311355 0.948722 0.616799 O\n0.688645 0.051278 0.383201 O\n0.751121 0.534490 0.648354 O\n0.762709 0.909134 0.892230 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"V",
"O"
],
"chemical_system": "Na-O-V",
"density": 2.8490642310662304,
"density_atomic": 0.07152818209269864,
"volume": 195.72704898128643,
"volume_molar": 8.419255996462295,
"formula_full": "Na6 V2 O6",
"formula_reduced": "Na3VO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.2726831,
"spacegroup": 2
},
{
"id": "jvasp-9730",
"created_at": "2022-09-04T14:36:50.535815Z",
"updated_at": "2022-09-04T14:36:50.535838Z",
"structure_string": "Mg4 Si2 O8\n1.0\n4.974202 -0.000000 2.871856\n1.658068 4.689722 2.871856\n0.000000 -0.000000 5.743713\nMg Si O\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000001 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.875000 0.875000 0.875001 Si\n0.125000 0.125000 0.125000 Si\n0.755474 0.755474 0.755475 O\n0.244526 0.244526 0.766421 O\n0.244526 0.766421 0.244526 O\n0.766421 0.244526 0.244527 O\n0.755474 0.233579 0.755474 O\n0.233579 0.755474 0.755474 O\n0.244526 0.244526 0.244526 O\n0.755474 0.755474 0.233580 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.4872946539793013,
"density_atomic": 0.10448760813132582,
"volume": 133.98718039754556,
"volume_molar": 5.763497574210944,
"formula_full": "Mg4 Si2 O8",
"formula_reduced": "Mg2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.374915814285714,
"spacegroup": 227
},
{
"id": "jvasp-12631",
"created_at": "2022-09-04T14:36:38.397225Z",
"updated_at": "2022-09-04T14:36:38.397246Z",
"structure_string": "Cd2 Fe4 O8\n1.0\n5.180380 -0.000000 2.990894\n1.726793 4.884109 2.990894\n-0.000000 -0.000000 5.981787\nCd Fe O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Cd\n0.874999 0.875000 0.874999 Cd\n0.500000 0.000000 0.500000 Fe\n-0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 -0.000001 Fe\n0.500000 0.500000 0.500000 Fe\n0.728966 0.728967 0.728966 O\n0.271033 0.271034 0.686898 O\n0.271033 0.686898 0.271033 O\n0.686898 0.271034 0.271033 O\n0.728966 0.313102 0.728966 O\n0.313101 0.728967 0.728966 O\n0.271033 0.271034 0.271033 O\n0.728966 0.728967 0.313101 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cd",
"Fe",
"O"
],
"chemical_system": "Cd-Fe-O",
"density": 6.321822978955409,
"density_atomic": 0.09250178757050517,
"volume": 151.3484265299106,
"volume_molar": 6.510296631197428,
"formula_full": "Cd2 Fe4 O8",
"formula_reduced": "Cd(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.198030678571428,
"spacegroup": 227
},
{
"id": "jvasp-50386",
"created_at": "2022-09-04T14:37:01.657244Z",
"updated_at": "2022-09-04T14:37:01.657253Z",
"structure_string": "Mg2 Ag4 O8\n1.0\n0.000000 5.883701 0.000000\n2.941850 -2.941850 5.533917\n5.883701 0.000000 0.000000\nMg Ag O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.750000 0.500000 0.750000 Mg\n0.875000 0.250000 0.375000 Ag\n0.375000 0.250000 0.375000 Ag\n0.375000 0.750000 0.375000 Ag\n0.375000 0.750000 0.875000 Ag\n0.109831 0.219662 0.157768 O\n0.640169 0.280339 0.127431 O\n0.622569 0.780339 0.109830 O\n0.157768 0.780339 0.109830 O\n0.640169 0.280339 0.592232 O\n0.109831 0.219662 0.622569 O\n0.592232 0.719662 0.640169 O\n0.127431 0.719662 0.640169 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Ag",
"O"
],
"chemical_system": "Ag-Mg-O",
"density": 5.2707759845937145,
"density_atomic": 0.07307927086075817,
"volume": 191.57279260044817,
"volume_molar": 8.240559448758466,
"formula_full": "Mg2 Ag4 O8",
"formula_reduced": "Mg(AgO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2223582242857145,
"spacegroup": 141
},
{
"id": "jvasp-50419",
"created_at": "2022-09-04T14:36:41.174761Z",
"updated_at": "2022-09-04T14:36:41.174789Z",
"structure_string": "Ba2 Y2 I10\n1.0\n3.195073 10.821733 0.009108\n-3.195073 10.821733 -0.009108\n-0.429292 0.000000 7.711799\nBa Y I\n2 2 10\ndirect\n0.671321 0.671321 0.750000 Ba\n0.328679 0.328679 0.250000 Ba\n0.922007 0.922007 0.750000 Y\n0.077993 0.077993 0.250000 Y\n0.277642 0.785050 0.597002 I\n0.214949 0.722357 0.097002 I\n0.195386 0.184693 0.994972 I\n0.367509 0.367509 0.750000 I\n0.184693 0.195386 0.505028 I\n0.815307 0.804614 0.494972 I\n0.632491 0.632491 0.250000 I\n0.804614 0.815307 0.005028 I\n0.785051 0.277642 0.902998 I\n0.722358 0.214949 0.402998 I\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Y",
"I"
],
"chemical_system": "Ba-I-Y",
"density": 5.359527948675791,
"density_atomic": 0.026247976437044417,
"volume": 533.374450163002,
"volume_molar": 22.943257261922877,
"formula_full": "Ba2 Y2 I10",
"formula_reduced": "BaYI5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-53584",
"created_at": "2022-09-04T14:37:01.449579Z",
"updated_at": "2022-09-04T14:37:01.449612Z",
"structure_string": "Yb2 Sm4 S8\n1.0\n6.890319 -0.000000 -2.427773\n-3.449083 5.960395 -2.438869\n0.007846 -0.000000 7.305511\nYb Sm S\n2 4 8\ndirect\n0.125000 0.749999 0.875000 Yb\n0.375000 0.250000 0.625000 Yb\n0.250000 0.628277 0.378278 Sm\n0.621723 0.371722 0.250000 Sm\n0.750000 0.871722 0.121722 Sm\n0.878278 0.128278 0.750000 Sm\n-0.000252 0.855048 0.497983 S\n0.997984 0.355049 0.499748 S\n0.500253 0.998235 0.855301 S\n0.144699 0.144951 0.142934 S\n0.355301 0.498235 0.000252 S\n0.642935 0.644951 0.644699 S\n0.502017 0.001765 0.357066 S\n0.857066 0.501764 0.002017 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"Sm",
"S"
],
"chemical_system": "S-Sm-Yb",
"density": 6.6613266597300065,
"density_atomic": 0.04664431873520553,
"volume": 300.1437341056775,
"volume_molar": 12.910770107260019,
"formula_full": "Yb2 Sm4 S8",
"formula_reduced": "Yb(SmS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2751512071428572,
"spacegroup": 122
},
{
"id": "jvasp-50727",
"created_at": "2022-09-04T14:36:42.837104Z",
"updated_at": "2022-09-04T14:36:42.837114Z",
"structure_string": "Y1 Zr4 O9\n1.0\n5.219458 -0.018896 0.018640\n2.310288 5.637232 0.010937\n2.290734 0.161543 5.902314\nY Zr O\n1 4 9\ndirect\n0.187947 0.369293 0.209725 Y\n0.430329 0.801259 0.419368 Zr\n0.946021 0.025820 0.001125 Zr\n0.834164 0.609797 0.765142 Zr\n0.546502 0.216274 0.638426 Zr\n0.830504 0.709182 0.091786 O\n0.757949 0.468236 0.500240 O\n0.590364 0.105177 0.326940 O\n0.927298 0.949318 0.684536 O\n0.426858 0.865043 0.748153 O\n0.187213 0.992367 0.214844 O\n0.238610 0.534198 0.489813 O\n0.134256 0.306196 0.880280 O\n0.611990 0.347826 0.929621 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Zr",
"O"
],
"chemical_system": "O-Y-Zr",
"density": 5.715486955387627,
"density_atomic": 0.08060812966831078,
"volume": 173.6797523724679,
"volume_molar": 7.470885113921041,
"formula_full": "Y1 Zr4 O9",
"formula_reduced": "YZr4O9",
"formula_anonymous": "AB4C9",
"energy_above_hull": 3.436981782142857,
"spacegroup": 1
},
{
"id": "jvasp-12970",
"created_at": "2022-09-04T14:36:42.917928Z",
"updated_at": "2022-09-04T14:36:42.917937Z",
"structure_string": "Mg6 B2 N6\n1.0\n1.773060 -3.071029 -0.000000\n1.773060 3.071029 0.000000\n0.000000 0.000000 16.130781\nMg B N\n6 2 6\ndirect\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.666667 0.333333 0.122796 Mg\n0.333333 0.666667 0.622796 Mg\n0.333333 0.666667 0.877204 Mg\n0.666667 0.333333 0.377204 Mg\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n0.666667 0.333333 0.250000 N\n0.333333 0.666667 0.750000 N\n0.000000 0.000000 0.083326 N\n0.000000 0.000000 0.583326 N\n0.000000 0.000000 0.916674 N\n0.000000 0.000000 0.416674 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"B",
"N"
],
"chemical_system": "B-Mg-N",
"density": 2.3772829574567846,
"density_atomic": 0.07969577442776268,
"volume": 175.66803385152858,
"volume_molar": 7.556411620616785,
"formula_full": "Mg6 B2 N6",
"formula_reduced": "Mg3BN3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.6800156404761903,
"spacegroup": 194
}
]
}