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=1267",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=1265",
"results": [
{
"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-113005",
"created_at": "2022-09-04T14:38:42.054497Z",
"updated_at": "2022-09-04T14:38:42.054518Z",
"structure_string": "Sm4 As4 Se4\n1.0\n3.977351 -0.000000 0.000000\n0.000000 4.029161 0.000000\n0.000000 0.000000 17.809100\nSm As Se\n4 4 4\ndirect\n0.750000 0.731955 0.639731 Sm\n0.250000 0.268044 0.360269 Sm\n0.750000 0.768044 0.139731 Sm\n0.250000 0.231956 0.860269 Sm\n0.250000 0.709279 0.997942 As\n0.750000 0.290721 0.002058 As\n0.250000 0.790721 0.497942 As\n0.750000 0.209279 0.502058 As\n0.750000 0.734345 0.812432 Se\n0.250000 0.265655 0.187568 Se\n0.750000 0.765654 0.312432 Se\n0.250000 0.234345 0.687568 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sm",
"As",
"Se"
],
"chemical_system": "As-Se-Sm",
"density": 7.080715940785834,
"density_atomic": 0.042046585435776,
"volume": 285.3977291052417,
"volume_molar": 14.322544143800952,
"formula_full": "Sm4 As4 Se4",
"formula_reduced": "SmAsSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.036877997222222,
"spacegroup": 62
},
{
"id": "jvasp-29022",
"created_at": "2022-09-04T14:38:32.793383Z",
"updated_at": "2022-09-04T14:38:32.793409Z",
"structure_string": "Te6 Mo2 W2 Se2\n1.0\n3.503564 0.000000 0.000000\n-1.751782 3.034174 -0.000014\n0.000000 -0.000227 36.989371\nTe Mo W Se\n6 2 2 2\ndirect\n0.333352 0.666704 0.709654 Te\n0.666623 0.333246 0.046882 Te\n0.666690 0.333381 0.415642 Te\n0.666637 0.333273 0.146091 Te\n0.666686 0.333373 0.515344 Te\n0.333349 0.666698 0.610434 Te\n0.333296 0.666592 0.096452 Mo\n0.666684 0.333369 0.660090 Mo\n0.333356 0.666710 0.465485 W\n0.666662 0.333325 0.280895 W\n0.333336 0.666673 0.324775 Se\n0.333321 0.666644 0.237007 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 6.263054512858705,
"density_atomic": 0.030517837913279833,
"volume": 393.21265268199755,
"volume_molar": 19.733182858866506,
"formula_full": "Te6 Mo2 W2 Se2",
"formula_reduced": "Te3MoWSe",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.307020427777778,
"spacegroup": 156
},
{
"id": "jvasp-57675",
"created_at": "2022-09-04T14:38:34.034995Z",
"updated_at": "2022-09-04T14:38:34.035029Z",
"structure_string": "W8 C4\n1.0\n4.749484 -0.000000 0.000000\n-0.000000 5.245136 0.000000\n0.000000 0.000000 6.111217\nW C\n8 4\ndirect\n0.242048 0.080863 0.878196 W\n0.742048 0.919137 0.621805 W\n0.257951 0.580864 0.621805 W\n0.757951 0.419137 0.878196 W\n0.242048 0.580864 0.121805 W\n0.742048 0.419137 0.378195 W\n0.257951 0.080863 0.378195 W\n0.757951 0.919137 0.121805 W\n0.500000 0.750001 0.878130 C\n0.000000 0.250000 0.621871 C\n0.500000 0.250000 0.121870 C\n0.000000 0.750001 0.378130 C\n",
"nsites": 12,
"nelements": 2,
"elements": [
"W",
"C"
],
"chemical_system": "C-W",
"density": 16.56563778628765,
"density_atomic": 0.07882252783331867,
"volume": 152.2407404311581,
"volume_molar": 7.640126402358809,
"formula_full": "W8 C4",
"formula_reduced": "W2C",
"formula_anonymous": "AB2",
"energy_above_hull": 6.445226666666667,
"spacegroup": 60
},
{
"id": "jvasp-54941",
"created_at": "2022-09-04T14:38:32.953772Z",
"updated_at": "2022-09-04T14:38:32.953788Z",
"structure_string": "Ti4 Ga8\n1.0\n3.876743 0.000000 -0.617051\n-0.098214 3.875499 -0.617051\n0.012063 0.012372 12.562496\nTi Ga\n4 8\ndirect\n0.200747 0.450747 0.901495 Ti\n0.049252 0.299252 0.598505 Ti\n0.950747 0.700748 0.401495 Ti\n0.799252 0.549253 0.098505 Ti\n0.463997 0.213997 0.427995 Ga\n0.536002 0.786002 0.572005 Ga\n0.286002 0.036002 0.072005 Ga\n0.713997 0.963997 0.927996 Ga\n0.125572 0.875572 0.751144 Ga\n0.375572 0.625572 0.251144 Ga\n0.874427 0.124428 0.248857 Ga\n0.624427 0.374427 0.748857 Ga\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"Ga"
],
"chemical_system": "Ga-Ti",
"density": 6.5897699153046565,
"density_atomic": 0.0635586243662085,
"volume": 188.80207241206284,
"volume_molar": 9.474938798709626,
"formula_full": "Ti4 Ga8",
"formula_reduced": "TiGa2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7355209944444447,
"spacegroup": 141
},
{
"id": "jvasp-112514",
"created_at": "2022-09-04T14:38:41.689722Z",
"updated_at": "2022-09-04T14:38:41.689758Z",
"structure_string": "Li4 Ce2 O6\n1.0\n5.603880 -0.265636 0.858997\n-3.228167 4.588352 0.858997\n-0.249476 -0.453932 5.586877\nLi Ce O\n4 2 6\ndirect\n0.786928 0.213071 0.750001 Li\n0.422783 0.577216 0.750001 Li\n0.213070 0.786928 0.250001 Li\n0.577215 0.422783 0.250001 Li\n0.101435 0.898564 0.750001 Ce\n0.898563 0.101436 0.250001 Ce\n0.842125 0.695552 0.469032 O\n0.695551 0.842126 -0.030969 O\n-0.000000 0.500000 0.000000 O\n0.304447 0.157873 0.030970 O\n0.500000 -0.000000 0.500001 O\n0.157873 0.304448 0.530970 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Ce",
"O"
],
"chemical_system": "Ce-Li-O",
"density": 4.679895103220416,
"density_atomic": 0.08371341756934293,
"volume": 143.3461964452706,
"volume_molar": 7.193758103366927,
"formula_full": "Li4 Ce2 O6",
"formula_reduced": "Li2CeO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.524889333333333,
"spacegroup": 15
},
{
"id": "jvasp-21106",
"created_at": "2022-09-04T14:38:32.948873Z",
"updated_at": "2022-09-04T14:38:32.948892Z",
"structure_string": "Y3 B3 Pt6\n1.0\n2.673220 -4.630153 -0.000000\n2.673220 4.630153 -0.000000\n0.000000 0.000000 7.998545\nY B Pt\n3 3 6\ndirect\n0.500000 0.000000 0.500000 Y\n0.000000 0.500000 0.166667 Y\n0.500000 0.500000 0.833334 Y\n0.000000 0.500000 0.666667 B\n0.500000 0.000000 0.000000 B\n0.500000 0.500000 0.333333 B\n0.305908 0.152954 0.166667 Pt\n0.152954 0.305908 0.500000 Pt\n0.847045 0.152955 0.833334 Pt\n0.847046 0.694092 0.500000 Pt\n0.152955 0.847045 0.833334 Pt\n0.694092 0.847046 0.166667 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Y",
"B",
"Pt"
],
"chemical_system": "B-Pt-Y",
"density": 12.325181658174001,
"density_atomic": 0.06060524538674284,
"volume": 198.00266335733627,
"volume_molar": 9.93666591327311,
"formula_full": "Y3 B3 Pt6",
"formula_reduced": "YBPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.893152708333334,
"spacegroup": 180
},
{
"id": "jvasp-35197",
"created_at": "2022-09-04T14:38:32.486825Z",
"updated_at": "2022-09-04T14:38:32.486840Z",
"structure_string": "Na8 N1 O3\n1.0\n5.614119 0.000000 0.000000\n-0.000000 5.614119 0.000000\n0.000000 0.000000 5.614119\nNa N O\n8 1 3\ndirect\n0.253241 0.253241 0.253241 Na\n0.746759 0.746759 0.253241 Na\n0.746759 0.253241 0.746759 Na\n0.253241 0.746759 0.746759 Na\n0.253241 0.253241 0.746759 Na\n0.746759 0.746759 0.746759 Na\n0.746759 0.253241 0.253241 Na\n0.253241 0.746759 0.253241 Na\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"N",
"O"
],
"chemical_system": "N-Na-O",
"density": 2.307828326073391,
"density_atomic": 0.06781666116151282,
"volume": 176.94766735007323,
"volume_molar": 8.88003133279831,
"formula_full": "Na8 N1 O3",
"formula_reduced": "Na8NO3",
"formula_anonymous": "AB3C8",
"energy_above_hull": 0.6049546458333332,
"spacegroup": 221
},
{
"id": "jvasp-116674",
"created_at": "2022-09-04T14:38:42.632528Z",
"updated_at": "2022-09-04T14:38:42.632554Z",
"structure_string": "Mn2 Cd2 Se8\n1.0\n6.417245 -0.000000 0.000000\n0.000000 6.410341 0.125468\n-0.000000 0.042160 6.397387\nMn Cd Se\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n-0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.500000 Cd\n0.640096 0.140821 0.082984 Se\n0.140097 0.359179 0.917017 Se\n0.404850 0.600713 0.364889 Se\n0.904850 0.899287 0.635112 Se\n0.359903 0.859179 0.917017 Se\n0.859903 0.640821 0.082984 Se\n0.595149 0.399287 0.635112 Se\n0.095149 0.100713 0.364889 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Cd",
"Se"
],
"chemical_system": "Cd-Mn-Se",
"density": 6.098454929961973,
"density_atomic": 0.04560420530987649,
"volume": 263.13362810427407,
"volume_molar": 13.20523122611192,
"formula_full": "Mn2 Cd2 Se8",
"formula_reduced": "MnCdSe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4050967430076624,
"spacegroup": 14
},
{
"id": "jvasp-7112",
"created_at": "2022-09-04T14:38:32.699726Z",
"updated_at": "2022-09-04T14:38:32.699758Z",
"structure_string": "H6 Pb1 C1 I3 N1\n1.0\n6.354692 0.000341 0.095357\n-0.000018 6.290642 -0.000397\n0.096862 0.000010 6.388279\nH Pb C I N\n6 1 1 3 1\ndirect\n0.423496 0.499856 0.277048 H\n0.305156 0.643295 0.494044 H\n0.305142 0.356626 0.494147 H\n0.688810 0.634009 0.513603 H\n0.688802 0.365861 0.513690 H\n0.581650 0.500028 0.715438 H\n0.954741 0.999908 0.981867 Pb\n0.392746 0.499932 0.446872 C\n0.911627 0.999941 0.479387 I\n0.922743 0.499905 0.017545 I\n0.441417 0.999860 0.939976 I\n0.599445 0.499958 0.553518 N\n",
"nsites": 12,
"nelements": 5,
"elements": [
"H",
"Pb",
"C",
"I",
"N"
],
"chemical_system": "C-H-I-N-Pb",
"density": 4.032284475959532,
"density_atomic": 0.04700095890168342,
"volume": 255.3139399794288,
"volume_molar": 12.81280403788593,
"formula_full": "H6 Pb1 C1 I3 N1",
"formula_reduced": "H6PbCI3N",
"formula_anonymous": "ABCD3E6",
"energy_above_hull": 2.603956074583334,
"spacegroup": 6
},
{
"id": "jvasp-117040",
"created_at": "2022-09-04T14:38:46.130000Z",
"updated_at": "2022-09-04T14:38:46.130014Z",
"structure_string": "Al1 Cr3 O8\n1.0\n4.960255 0.018841 2.839167\n1.655090 4.676020 2.839167\n0.026549 0.018841 5.715269\nAl Cr O\n1 3 8\ndirect\n0.500001 0.500000 0.500000 Al\n0.000000 0.500000 0.500000 Cr\n0.500001 0.500000 0.000000 Cr\n0.500001 -0.000000 0.500000 Cr\n0.263227 0.263226 0.263227 O\n0.703638 0.264345 0.264346 O\n0.264346 0.264345 0.703637 O\n0.264346 0.703637 0.264346 O\n0.736775 0.736773 0.736774 O\n0.296364 0.735654 0.735655 O\n0.735655 0.735654 0.296363 O\n0.735655 0.296363 0.735655 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Al",
"Cr",
"O"
],
"chemical_system": "Al-Cr-O",
"density": 3.9161833060671025,
"density_atomic": 0.09100884353594976,
"volume": 131.85531794236934,
"volume_molar": 6.617094038362514,
"formula_full": "Al1 Cr3 O8",
"formula_reduced": "AlCr3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.42286525,
"spacegroup": 166
},
{
"id": "jvasp-111874",
"created_at": "2022-09-04T14:38:41.683198Z",
"updated_at": "2022-09-04T14:38:41.683223Z",
"structure_string": "Ba2 Fe4 S4 O2\n1.0\n3.932208 -0.000040 -0.000041\n-0.000006 6.561687 0.008183\n0.000042 -0.011587 9.566866\nBa Fe S O\n2 4 4 2\ndirect\n0.499988 0.005220 0.499997 Ba\n-0.000008 0.994780 0.000003 Ba\n0.500007 0.386676 0.818565 Fe\n0.500008 0.386693 0.181401 Fe\n-0.000013 0.613307 0.318599 Fe\n-0.000015 0.613324 0.681435 Fe\n0.500002 0.741527 0.792815 S\n0.500000 0.741528 0.207212 S\n0.000016 0.258472 0.292788 S\n0.000019 0.258473 0.707185 S\n0.500007 0.267361 0.999991 O\n-0.000018 0.732639 0.500010 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Fe",
"S",
"O"
],
"chemical_system": "Ba-Fe-O-S",
"density": 4.428390015911449,
"density_atomic": 0.04861372573155304,
"volume": 246.8438659950584,
"volume_molar": 12.387737556373493,
"formula_full": "Ba2 Fe4 S4 O2",
"formula_reduced": "BaFe2S2O",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.1605767449999997,
"spacegroup": 59
}
]
}