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=-chemical_system&page=58",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=56",
"results": [
{
"id": "jvasp-28870",
"created_at": "2022-09-04T14:37:45.858637Z",
"updated_at": "2022-09-04T14:37:45.858661Z",
"structure_string": "W4 Se4 S4\n1.0\n3.258950 -0.000000 -0.000000\n-1.629475 2.822394 -0.000477\n0.000001 0.010783 25.786299\nW Se S\n4 4 4\ndirect\n0.332663 0.665323 0.005287 W\n0.334294 0.668588 0.496217 W\n0.665706 0.331410 0.255241 W\n0.667337 0.334675 0.746171 W\n0.333930 0.667856 0.812421 Se\n0.666071 0.332141 -0.060963 Se\n0.665912 0.331823 0.071524 Se\n0.334088 0.668175 0.679934 Se\n0.332318 0.664634 0.315458 S\n0.667682 0.335364 0.436000 S\n0.667570 0.335137 0.556454 S\n0.332431 0.664860 0.195004 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"W",
"Se",
"S"
],
"chemical_system": "S-Se-W",
"density": 8.257487632449548,
"density_atomic": 0.05059374920430214,
"volume": 237.1834503021888,
"volume_molar": 11.902934363852044,
"formula_full": "W4 Se4 S4",
"formula_reduced": "WSeS",
"formula_anonymous": "ABC",
"energy_above_hull": 3.1330544555555546,
"spacegroup": 164
},
{
"id": "jvasp-28403",
"created_at": "2022-09-04T14:35:44.794527Z",
"updated_at": "2022-09-04T14:35:44.794553Z",
"structure_string": "W2 Se2 S2\n1.0\n3.257083 0.000000 0.000000\n-1.628541 2.820716 -0.000047\n0.000000 -0.000362 21.417810\nW Se S\n2 2 2\ndirect\n0.333315 0.666630 0.150541 W\n0.666686 0.333372 0.451330 W\n0.333364 0.666727 0.531033 Se\n0.333343 0.666685 0.371541 Se\n0.666638 0.333277 0.078063 S\n0.666657 0.333314 0.223096 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"W",
"Se",
"S"
],
"chemical_system": "S-Se-W",
"density": 4.97667258458835,
"density_atomic": 0.03049214674293095,
"volume": 196.7719770793439,
"volume_molar": 19.749809059921713,
"formula_full": "W2 Se2 S2",
"formula_reduced": "WSeS",
"formula_anonymous": "ABC",
"energy_above_hull": 3.1461444555555547,
"spacegroup": 156
},
{
"id": "jvasp-28876",
"created_at": "2022-09-04T14:37:43.829487Z",
"updated_at": "2022-09-04T14:37:43.829497Z",
"structure_string": "W4 Se6 S2\n1.0\n3.292266 -0.000000 0.000002\n-1.646133 2.851194 0.000002\n0.000027 -0.000020 34.496735\nW Se S\n4 6 2\ndirect\n0.333314 0.666641 0.095228 W\n0.333342 0.666676 0.466968 W\n0.666659 0.333311 0.281083 W\n0.666686 0.333363 0.659639 W\n0.333351 0.666691 0.708735 Se\n0.666634 0.333282 0.046131 Se\n0.666689 0.333370 0.417828 Se\n0.666667 0.333344 0.144374 Se\n0.666665 0.333323 0.516116 Se\n0.333351 0.666694 0.610481 Se\n0.333338 0.666667 0.325793 S\n0.333318 0.666628 0.236371 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"W",
"Se",
"S"
],
"chemical_system": "S-Se-W",
"density": 6.529247093639451,
"density_atomic": 0.03705796511444493,
"volume": 323.8170245705824,
"volume_molar": 16.25059752040355,
"formula_full": "W4 Se6 S2",
"formula_reduced": "W2Se3S",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.9691516833333336,
"spacegroup": 156
},
{
"id": "jvasp-90296",
"created_at": "2022-09-04T14:36:10.452712Z",
"updated_at": "2022-09-04T14:36:10.452739Z",
"structure_string": "W3 Se2 S4\n1.0\n3.235352 0.000000 0.000000\n-1.617677 2.798705 -0.132765\n0.000000 -0.969167 19.215872\nW Se S\n3 2 4\ndirect\n0.223557 0.447116 0.017412 W\n0.444732 0.889468 0.680612 W\n0.665019 0.330040 0.342910 W\n0.748014 0.496027 0.591003 Se\n0.808107 0.616216 0.770199 Se\n0.359014 0.718030 0.424416 S\n0.529563 0.059123 0.935949 S\n0.584232 0.168466 0.098906 S\n0.304351 0.608704 0.261431 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"W",
"Se",
"S"
],
"chemical_system": "S-Se-W",
"density": 8.013812553634848,
"density_atomic": 0.05184944074851338,
"volume": 173.57949999215847,
"volume_molar": 11.614668688924416,
"formula_full": "W3 Se2 S4",
"formula_reduced": "W3(SeS2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 4.388974081481481,
"spacegroup": 160
},
{
"id": "jvasp-28847",
"created_at": "2022-09-04T14:37:15.921872Z",
"updated_at": "2022-09-04T14:37:15.921894Z",
"structure_string": "W4 Se2 S6\n1.0\n3.225239 -0.000000 -0.000000\n-1.612619 2.793172 -0.000534\n-0.000000 -0.017432 34.099835\nW Se S\n4 2 6\ndirect\n0.333330 0.666661 0.095192 W\n0.334355 0.668710 0.469409 W\n0.663682 0.327363 0.279271 W\n0.668649 0.337297 0.659044 W\n0.667516 0.335032 0.418943 Se\n0.667911 0.335822 0.519874 Se\n0.330461 0.660924 0.325153 S\n0.335481 0.670963 0.704872 S\n0.666402 0.332803 0.049355 S\n0.666962 0.333923 0.141070 S\n0.330147 0.660296 0.233400 S\n0.335103 0.670208 0.613163 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"W",
"Se",
"S"
],
"chemical_system": "S-Se-W",
"density": 5.868608212992142,
"density_atomic": 0.039063344923754774,
"volume": 307.19335539294,
"volume_molar": 15.416346889274918,
"formula_full": "W4 Se2 S6",
"formula_reduced": "W2SeS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.126447227777778,
"spacegroup": 156
},
{
"id": "jvasp-23349",
"created_at": "2022-09-04T14:37:56.111518Z",
"updated_at": "2022-09-04T14:37:56.111542Z",
"structure_string": "U4 Se4 S4\n1.0\n4.033835 -0.000000 0.000000\n-0.000000 7.274316 0.000000\n0.000000 0.000000 8.599531\nU Se S\n4 4 4\ndirect\n0.250000 0.728192 0.631036 U\n0.750001 0.271809 0.368964 U\n0.250000 0.228192 0.868963 U\n0.750001 0.771809 0.131036 U\n0.750001 0.529160 0.835928 Se\n0.250000 0.470840 0.164072 Se\n0.750001 0.029160 0.664072 Se\n0.250000 0.970841 0.335928 Se\n0.250000 0.356029 0.568500 S\n0.750001 0.643972 0.431500 S\n0.250000 0.856029 0.931500 S\n0.750001 0.143971 0.068500 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"U",
"Se",
"S"
],
"chemical_system": "S-Se-U",
"density": 9.187905858170257,
"density_atomic": 0.047555000074330396,
"volume": 252.33939609386002,
"volume_molar": 12.663528021421826,
"formula_full": "U4 Se4 S4",
"formula_reduced": "USeS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.297633122222223,
"spacegroup": 62
},
{
"id": "jvasp-101687",
"created_at": "2022-09-04T14:36:49.057924Z",
"updated_at": "2022-09-04T14:36:49.057940Z",
"structure_string": "Ti3 Se2 S4\n1.0\n3.452714 0.000000 0.000000\n-1.726357 2.990138 0.000000\n-0.000000 -0.000000 17.652119\nTi Se S\n3 2 4\ndirect\n0.666666 0.333334 0.009709 Ti\n0.666666 0.333334 0.330035 Ti\n0.666666 0.333334 0.670768 Ti\n0.333333 0.666667 0.578322 Se\n0.333333 0.666667 0.917089 Se\n0.000000 0.000000 0.086365 S\n0.000000 0.000000 0.409738 S\n0.000000 0.000000 0.747744 S\n0.333333 0.666667 0.250231 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Se",
"S"
],
"chemical_system": "S-Se-Ti",
"density": 3.9160445606494934,
"density_atomic": 0.04938485977121381,
"volume": 182.24208880402765,
"volume_molar": 12.19430567971416,
"formula_full": "Ti3 Se2 S4",
"formula_reduced": "Ti3(SeS2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.7226168592592592,
"spacegroup": 156
},
{
"id": "jvasp-28471",
"created_at": "2022-09-04T14:36:43.403874Z",
"updated_at": "2022-09-04T14:36:43.403900Z",
"structure_string": "Te2 W3 Se2 S2\n1.0\n3.353284 0.000000 0.000000\n-1.676642 2.904175 0.000440\n-0.000001 0.004532 29.081155\nTe W Se S\n2 3 2 2\ndirect\n0.333235 0.666470 0.409883 Te\n0.333388 0.666776 0.278568 Te\n0.333555 0.667111 0.112333 W\n0.333076 0.666151 0.584393 W\n0.666656 0.333313 0.344250 W\n0.666561 0.333121 0.526826 Se\n0.666354 0.332709 0.641861 Se\n0.666958 0.333916 0.059991 S\n0.666811 0.333622 0.164738 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.032017996064909,
"density_atomic": 0.03177881869274808,
"volume": 283.207506453152,
"volume_molar": 18.950171868327665,
"formula_full": "Te2 W3 Se2 S2",
"formula_reduced": "Te2W3(SeS)2",
"formula_anonymous": "A2B2C2D3",
"energy_above_hull": 4.190073585185185,
"spacegroup": 156
},
{
"id": "jvasp-28872",
"created_at": "2022-09-04T14:37:56.628569Z",
"updated_at": "2022-09-04T14:37:56.628584Z",
"structure_string": "Te2 W4 Se2 S4\n1.0\n3.311754 0.000001 0.000000\n-1.655877 2.868021 -0.000025\n0.000003 -0.000272 34.211094\nTe W Se S\n2 4 2 4\ndirect\n0.333471 0.666949 0.717642 Te\n0.333231 0.666466 0.604975 Te\n0.333269 0.666542 0.095921 W\n0.333375 0.666753 0.463040 W\n0.666671 0.333343 0.282602 W\n0.666677 0.333357 0.661382 W\n0.666543 0.333087 0.046639 Se\n0.666647 0.333296 0.145260 Se\n0.333388 0.666781 0.327487 S\n0.666889 0.333779 0.418160 S\n0.666488 0.332977 0.507947 S\n0.333333 0.666670 0.237696 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.5244533158738225,
"density_atomic": 0.03692953265080041,
"volume": 324.94318608009553,
"volume_molar": 16.307113379810065,
"formula_full": "Te2 W4 Se2 S4",
"formula_reduced": "TeW2SeS2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.988400188888889,
"spacegroup": 156
},
{
"id": "jvasp-28459",
"created_at": "2022-09-04T14:37:02.353786Z",
"updated_at": "2022-09-04T14:37:02.353805Z",
"structure_string": "Te2 W3 Se2 S2\n1.0\n3.352746 0.000000 0.000000\n-1.676373 2.903566 -0.000000\n0.000000 0.000001 31.017803\nTe W Se S\n2 3 2 2\ndirect\n0.666649 0.333294 0.516898 Te\n0.666649 0.333294 0.639745 Te\n0.333313 0.666623 0.115657 W\n0.333313 0.666625 0.578379 W\n0.666689 0.333377 0.346938 W\n0.333353 0.666705 0.400867 Se\n0.333353 0.666706 0.292994 Se\n0.666646 0.333290 0.066595 S\n0.666647 0.333291 0.164769 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 5.65749267145954,
"density_atomic": 0.029805685921221025,
"volume": 301.9558088274757,
"volume_molar": 20.204670933985657,
"formula_full": "Te2 W3 Se2 S2",
"formula_reduced": "Te2W3(SeS)2",
"formula_anonymous": "A2B2C2D3",
"energy_above_hull": 4.1911535851851855,
"spacegroup": 156
},
{
"id": "jvasp-28886",
"created_at": "2022-09-04T14:37:49.898005Z",
"updated_at": "2022-09-04T14:37:49.898024Z",
"structure_string": "Te2 W4 Se4 S2\n1.0\n3.347244 -0.000001 -0.000000\n-1.673623 2.898809 -0.000020\n-0.000003 -0.000341 35.012203\nTe W Se S\n2 4 4 2\ndirect\n0.333357 0.666712 0.712803 Te\n0.333342 0.666678 0.603625 Te\n0.333316 0.666631 0.095066 W\n0.333321 0.666642 0.466052 W\n0.666683 0.333364 0.283552 W\n0.666684 0.333364 0.658265 W\n0.333319 0.666624 0.331386 Se\n0.666601 0.333196 0.047274 Se\n0.666699 0.333405 0.142909 Se\n0.333372 0.666758 0.235709 Se\n0.666662 0.333325 0.422502 S\n0.666651 0.333304 0.509604 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.6990205217078245,
"density_atomic": 0.035322782762692954,
"volume": 339.7240834794619,
"volume_molar": 17.048885418960918,
"formula_full": "Te2 W4 Se4 S2",
"formula_reduced": "TeW2Se2S",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.907379083333333,
"spacegroup": 156
},
{
"id": "jvasp-28823",
"created_at": "2022-09-04T14:38:06.854465Z",
"updated_at": "2022-09-04T14:38:06.854486Z",
"structure_string": "Te2 W4 Se2 S4\n1.0\n3.311797 0.000000 -0.000000\n-1.655898 2.868097 -0.000035\n-0.000002 -0.000442 34.786901\nTe W Se S\n2 4 2 4\ndirect\n0.333330 0.666660 0.715962 Te\n0.333354 0.666710 0.605310 Te\n0.333321 0.666642 0.097330 W\n0.333324 0.666648 0.463653 W\n0.666682 0.333364 0.281281 W\n0.666674 0.333348 0.660667 W\n0.666642 0.333285 0.415173 Se\n0.666670 0.333340 0.512139 Se\n0.333363 0.666730 0.325465 S\n0.666641 0.333281 0.053138 S\n0.666668 0.333335 0.141565 S\n0.333333 0.666667 0.237062 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.416205683420124,
"density_atomic": 0.036316832354923535,
"volume": 330.42529377904674,
"volume_molar": 16.5822302483481,
"formula_full": "Te2 W4 Se2 S4",
"formula_reduced": "TeW2SeS2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.988698522222222,
"spacegroup": 156
}
]
}