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=elements&page=4634",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4632",
"results": [
{
"id": "jvasp-28985",
"created_at": "2022-09-04T14:37:40.424455Z",
"updated_at": "2022-09-04T14:37:40.424481Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.346383 0.000000 0.000000\n-1.673191 2.898356 0.000886\n0.000000 0.011349 38.429389\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.667182 0.334365 0.420163 Te\n0.666771 0.333541 0.519055 Te\n0.333603 0.667206 0.469631 Mo\n0.667229 0.334458 0.280847 Mo\n0.333837 0.667675 0.093759 W\n0.665374 0.330747 0.658723 W\n0.333697 0.667395 0.324195 Se\n0.331793 0.663586 0.702155 Se\n0.334029 0.668061 0.237439 Se\n0.332096 0.664194 0.615137 Se\n0.667349 0.334699 0.054197 S\n0.667040 0.334082 0.133448 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.322651758983572,
"density_atomic": 0.032195148480548164,
"volume": 372.7269655939069,
"volume_molar": 18.705118765451537,
"formula_full": "Te2 Mo2 W2 Se4 S2",
"formula_reduced": "TeMoWSe2S",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.5281584000000006,
"spacegroup": 156
},
{
"id": "jvasp-28983",
"created_at": "2022-09-04T14:37:37.283466Z",
"updated_at": "2022-09-04T14:37:37.283491Z",
"structure_string": "Te2 Mo1 W3 Se2 S4\n1.0\n3.321124 0.000005 0.000001\n-1.660557 2.876157 0.000051\n0.000013 0.000704 38.914866\nTe Mo W Se S\n2 1 3 2 4\ndirect\n0.666677 0.333355 0.419065 Te\n0.666666 0.333338 0.517943 Te\n0.666669 0.333340 0.281299 Mo\n0.333317 0.666622 0.093947 W\n0.333336 0.666672 0.468576 W\n0.666643 0.333291 0.659124 W\n0.333310 0.666623 0.702014 Se\n0.333324 0.666651 0.615919 Se\n0.333378 0.666759 0.320579 S\n0.666643 0.333297 0.054747 S\n0.666636 0.333278 0.133353 S\n0.333390 0.666783 0.242183 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.310787320396054,
"density_atomic": 0.03228253638932135,
"volume": 371.71800428820853,
"volume_molar": 18.654484540415627,
"formula_full": "Te2 Mo1 W3 Se2 S4",
"formula_reduced": "Te2MoW3(SeS2)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.2222348472222215,
"spacegroup": 156
},
{
"id": "jvasp-28533",
"created_at": "2022-09-04T14:37:30.112657Z",
"updated_at": "2022-09-04T14:37:30.112689Z",
"structure_string": "Te2 Mo2 W1 Se2 S2\n1.0\n3.360012 0.000537 -0.000087\n-1.680452 2.906258 0.139526\n0.000745 0.990814 20.107038\nTe Mo W Se S\n2 2 1 2 2\ndirect\n0.589320 0.179151 0.579822 Te\n0.525341 0.051235 0.770197 Te\n0.439740 0.879400 0.025213 Mo\n0.669587 0.338715 0.340689 Mo\n0.223963 0.448485 0.675087 W\n0.800943 0.601783 0.942237 Se\n0.745207 0.490330 0.108180 Se\n0.310870 0.621304 0.416262 S\n0.361627 0.722796 0.265156 S\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 7.230159081856784,
"density_atomic": 0.04594174724886303,
"volume": 195.9002549739275,
"volume_molar": 13.10821011525424,
"formula_full": "Te2 Mo2 W1 Se2 S2",
"formula_reduced": "Te2Mo2W(SeS)2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 3.666584896296296,
"spacegroup": 160
},
{
"id": "jvasp-28583",
"created_at": "2022-09-04T14:37:29.106372Z",
"updated_at": "2022-09-04T14:37:29.106383Z",
"structure_string": "Te2 Mo3 W1 Se2 S4\n1.0\n3.311079 0.000000 0.000000\n-1.655539 2.867502 -0.000003\n0.000000 -0.000035 37.445460\nTe Mo W Se S\n2 3 1 2 4\ndirect\n0.333357 0.666715 0.708535 Te\n0.333361 0.666722 0.606412 Te\n0.333311 0.666623 0.093936 Mo\n0.666690 0.333378 0.281803 Mo\n0.666691 0.333380 0.657574 Mo\n0.333311 0.666622 0.469633 W\n0.666641 0.333279 0.049236 Se\n0.666646 0.333290 0.138771 Se\n0.333356 0.666713 0.322645 S\n0.666643 0.333285 0.428617 S\n0.666645 0.333288 0.510637 S\n0.333354 0.666709 0.240949 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 4.731547986172876,
"density_atomic": 0.033752722098169305,
"volume": 355.52688062012226,
"volume_molar": 17.841940992150768,
"formula_full": "Te2 Mo3 W1 Se2 S4",
"formula_reduced": "Te2Mo3W(SeS2)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.821176663888889,
"spacegroup": 156
},
{
"id": "jvasp-28782",
"created_at": "2022-09-04T14:37:30.857175Z",
"updated_at": "2022-09-04T14:37:30.857201Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.345811 0.000000 0.000000\n-1.672906 2.897315 0.000599\n0.000000 0.007388 34.477785\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.333486 0.666974 0.717126 Te\n0.333506 0.667015 0.606820 Te\n0.333126 0.666254 0.091660 Mo\n0.666627 0.333256 0.282653 Mo\n0.666829 0.333659 0.662062 Mo\n0.333417 0.666836 0.466597 W\n0.333096 0.666197 0.330982 Se\n0.666448 0.332898 0.043347 Se\n0.666425 0.332851 0.140036 Se\n0.333529 0.667059 0.234280 Se\n0.666831 0.333663 0.422354 S\n0.666666 0.333332 0.510831 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.499124624162093,
"density_atomic": 0.03590416149355971,
"volume": 334.2230956195006,
"volume_molar": 16.772821058863098,
"formula_full": "Te2 Mo3 W1 Se4 S2",
"formula_reduced": "Te2Mo3W(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.722818058333334,
"spacegroup": 156
},
{
"id": "jvasp-29089",
"created_at": "2022-09-04T14:37:50.036822Z",
"updated_at": "2022-09-04T14:37:50.036854Z",
"structure_string": "Te2 Mo2 W2 Se2 S4\n1.0\n3.316142 0.000000 0.000000\n-1.658071 2.871873 0.000003\n0.000000 0.000043 37.438338\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.666647 0.333293 0.042933 Te\n0.666648 0.333296 0.145134 Te\n0.333311 0.666623 0.093861 Mo\n0.666683 0.333367 0.281821 Mo\n0.333306 0.666613 0.469654 W\n0.666686 0.333372 0.657531 W\n0.333353 0.666706 0.702443 Se\n0.333353 0.666706 0.612398 Se\n0.333358 0.666715 0.322658 S\n0.666646 0.333291 0.428567 S\n0.666645 0.333290 0.510753 S\n0.333358 0.666717 0.240997 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.12740754249443,
"density_atomic": 0.03365629730825429,
"volume": 356.5454598315831,
"volume_molar": 17.893057887039326,
"formula_full": "Te2 Mo2 W2 Se2 S4",
"formula_reduced": "TeMoWSeS2",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.612121172222222,
"spacegroup": 156
},
{
"id": "jvasp-28931",
"created_at": "2022-09-04T14:37:38.174000Z",
"updated_at": "2022-09-04T14:37:38.174013Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.344920 0.000004 -0.000045\n-1.672457 2.896778 0.000045\n-0.000505 0.000263 35.149371\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333416 0.666733 0.331471 Te\n0.333386 0.666758 0.223261 Te\n0.666737 0.333412 0.277385 Mo\n0.333259 0.666744 0.085458 W\n0.333256 0.666443 0.476189 W\n0.666756 0.333416 0.663904 W\n0.333400 0.666685 0.711528 Se\n0.666579 0.333104 0.428490 Se\n0.666606 0.333120 0.523862 Se\n0.333434 0.666798 0.616227 Se\n0.666578 0.333402 0.042098 S\n0.666578 0.333378 0.128877 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 6.253622836253596,
"density_atomic": 0.03523403973980101,
"volume": 340.57973733975734,
"volume_molar": 17.091825985532058,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.122125408333334,
"spacegroup": 156
},
{
"id": "jvasp-29088",
"created_at": "2022-09-04T14:37:49.952434Z",
"updated_at": "2022-09-04T14:37:49.952462Z",
"structure_string": "Te4 Mo3 W1 Se2 S2\n1.0\n3.404621 -0.000000 0.000001\n-1.702311 2.948479 -0.000017\n0.000009 -0.000227 35.927460\nTe Mo W Se S\n4 3 1 2 2\ndirect\n0.666661 0.333318 0.044023 Te\n0.666666 0.333337 0.414110 Te\n0.666661 0.333319 0.148475 Te\n0.666666 0.333337 0.518600 Te\n0.333328 0.666654 0.096174 Mo\n0.333334 0.666672 0.466390 Mo\n0.666670 0.333336 0.281306 Mo\n0.666666 0.333335 0.659047 W\n0.333347 0.666697 0.705003 Se\n0.333325 0.666651 0.613006 Se\n0.333331 0.666657 0.323089 S\n0.333346 0.666685 0.239522 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.543983557921742,
"density_atomic": 0.03327269040383492,
"volume": 360.6561373412988,
"volume_molar": 18.099350208559947,
"formula_full": "Te4 Mo3 W1 Se2 S2",
"formula_reduced": "Te4Mo3W(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.633332125,
"spacegroup": 156
},
{
"id": "jvasp-119136",
"created_at": "2022-09-04T14:38:35.359496Z",
"updated_at": "2022-09-04T14:38:35.359528Z",
"structure_string": "Ti2 Al2 Cr1 Cu1 S8\n1.0\n6.061794 0.000416 3.492797\n-4.058256 5.920420 0.000000\n-0.000000 0.000000 6.985593\nTi Al Cr Cu S\n2 2 1 1 8\ndirect\n0.024464 0.006740 0.464397 Ti\n0.024464 0.006740 0.011138 Ti\n0.237243 0.608703 0.631378 Al\n0.494979 0.497241 0.002511 Al\n0.474701 0.002863 0.012650 Cr\n0.749703 0.376445 0.375149 Cu\n0.006648 0.754093 0.246676 S\n0.013373 0.249507 0.243314 S\n0.498071 0.252516 0.768812 S\n0.498071 0.252516 0.233116 S\n0.973972 0.221735 0.763014 S\n0.987270 0.756085 0.756365 S\n0.508518 0.757410 0.229417 S\n0.508518 0.757410 0.762065 S\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Ti",
"Al",
"Cr",
"Cu",
"S"
],
"chemical_system": "Al-Cr-Cu-S-Ti",
"density": 3.455745851706123,
"density_atomic": 0.05584067212020487,
"volume": 250.71331465823047,
"volume_molar": 10.784506223414537,
"formula_full": "Ti2 Al2 Cr1 Cu1 S8",
"formula_reduced": "Ti2Al2CrCuS8",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.613890008333333,
"spacegroup": 8
},
{
"id": "jvasp-30620",
"created_at": "2022-09-04T14:37:12.836353Z",
"updated_at": "2022-09-04T14:37:12.836371Z",
"structure_string": "Ti6 Al2 Se4 Cl2 O16\n1.0\n7.424875 -1.428940 1.067948\n-1.057401 8.851253 -1.355083\n1.797720 -1.809409 8.012803\nTi Al Se Cl O\n6 2 4 2 16\ndirect\n0.479822 0.795995 0.974381 Ti\n0.529026 0.040913 0.506734 Ti\n0.902140 0.996532 0.103462 Ti\n0.709794 0.167856 0.910200 Ti\n0.108075 0.856492 0.317633 Ti\n0.138366 0.174283 0.611052 Ti\n0.298805 0.170313 0.185268 Al\n0.694980 0.855283 0.580159 Al\n0.252948 0.574050 0.390046 Se\n0.907753 0.459221 0.471613 Se\n0.816701 0.586999 0.330939 Se\n0.107918 0.660133 0.793487 Se\n0.413297 0.311076 0.718749 Cl\n0.635658 0.647241 0.021678 Cl\n0.198144 0.251639 0.426453 O\n0.720248 0.098994 0.322488 O\n0.569068 0.748705 0.740196 O\n0.613063 0.059992 0.715718 O\n0.282265 0.999989 0.485379 O\n0.057215 0.847026 0.849862 O\n0.111909 0.154620 0.098292 O\n0.950982 0.875572 0.209573 O\n0.944249 0.962034 0.548437 O\n0.550835 0.831840 0.445637 O\n0.331769 0.966733 0.148404 O\n0.957779 0.273536 0.813903 O\n0.219384 0.672738 0.946967 O\n0.530240 0.273721 0.087260 O\n0.720507 0.995091 0.976052 O\n0.247075 0.691375 0.269980 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Ti",
"Al",
"Se",
"Cl",
"O"
],
"chemical_system": "Al-Cl-O-Se-Ti",
"density": 3.3699532292431305,
"density_atomic": 0.06187916121201236,
"volume": 484.81588005391734,
"volume_molar": 9.732098241226556,
"formula_full": "Ti6 Al2 Se4 Cl2 O16",
"formula_reduced": "Ti3AlSe2ClO8",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 2.771255773388889,
"spacegroup": 1
},
{
"id": "jvasp-33320",
"created_at": "2022-09-04T14:37:06.912879Z",
"updated_at": "2022-09-04T14:37:06.912897Z",
"structure_string": "Ti1 H12 C2 N6 F6\n1.0\n5.896240 3.710793 -2.619366\n-5.896240 3.710793 2.619366\n-0.074416 0.000000 5.977517\nTi H C N F\n1 12 2 6 6\ndirect\n0.067422 0.932577 0.585264 Ti\n0.053266 0.629571 0.313597 H\n0.370428 0.946734 0.313597 H\n0.055694 0.391861 0.327154 H\n0.608138 0.944305 0.327154 H\n0.371347 0.392505 0.324363 H\n0.607494 0.628653 0.324363 H\n0.763474 0.472665 0.846281 H\n0.527334 0.236525 0.846281 H\n0.079117 0.473331 0.843414 H\n0.526668 0.920882 0.843414 H\n0.081504 0.235641 0.856804 H\n0.764358 0.918495 0.856804 H\n0.342279 0.657720 0.310828 C\n0.792528 0.207471 0.859732 C\n0.133688 0.553790 0.307713 N\n0.446209 0.866311 0.307713 N\n0.446263 0.553736 0.311497 N\n0.688573 0.311426 0.859213 N\n0.001105 0.311410 0.862774 N\n0.688589 0.998894 0.862774 N\n0.227982 0.772017 0.760941 F\n0.906859 0.093140 0.409588 F\n0.261616 0.100036 0.375068 F\n0.899963 0.738383 0.375068 F\n0.234863 0.126774 0.795453 F\n0.873225 0.765136 0.795453 F\n",
"nsites": 27,
"nelements": 5,
"elements": [
"Ti",
"H",
"C",
"N",
"F"
],
"chemical_system": "C-F-H-N-Ti",
"density": 1.8002634888659936,
"density_atomic": 0.10379575949786786,
"volume": 260.12623377503803,
"volume_molar": 5.801914056155352,
"formula_full": "Ti1 H12 C2 N6 F6",
"formula_reduced": "TiH12C2(NF)6",
"formula_anonymous": "AB2C6D6E12",
"energy_above_hull": 3.6034873899382713,
"spacegroup": 12
},
{
"id": "jvasp-98068",
"created_at": "2022-09-04T14:35:50.734251Z",
"updated_at": "2022-09-04T14:35:50.734276Z",
"structure_string": "Ti3 H24 C12 N3 O30\n1.0\n8.939816 0.000000 0.000000\n-4.469908 7.742107 -0.000000\n-0.000000 -0.000000 10.697885\nTi H C N O\n3 24 12 3 30\ndirect\n-0.000000 0.500000 0.833333 Ti\n0.500000 0.500000 0.166667 Ti\n0.500000 0.000000 0.500000 Ti\n0.079895 0.974562 0.888904 H\n0.897808 0.263302 0.346523 H\n0.736698 0.634506 0.679857 H\n0.920105 0.894666 0.777764 H\n0.263302 0.897808 0.986811 H\n0.263302 0.365495 0.679857 H\n0.974562 0.894666 0.222237 H\n0.025439 0.920105 0.444430 H\n0.079895 0.105334 0.777764 H\n0.634506 0.736698 0.653477 H\n0.736698 0.102192 0.986811 H\n0.634506 0.897808 0.013189 H\n0.102192 0.736698 0.346523 H\n0.025439 0.105334 0.222237 H\n0.102192 0.365495 0.320144 H\n0.894666 0.920105 0.555571 H\n0.105334 0.025439 0.111096 H\n0.974562 0.079895 0.444430 H\n0.920105 0.025439 0.888904 H\n0.365495 0.102192 0.013189 H\n0.365495 0.263302 0.653477 H\n0.105334 0.079895 0.555571 H\n0.897808 0.634506 0.320144 H\n0.894666 0.974562 0.111096 H\n0.213978 0.427955 0.000000 C\n0.310078 0.689923 0.666667 C\n0.786023 0.572045 0.000000 C\n0.689923 0.379845 0.000000 C\n0.213978 0.786023 0.666667 C\n0.620155 0.310078 0.333333 C\n0.379845 0.689923 0.333333 C\n0.786023 0.213978 0.666667 C\n0.572045 0.786023 0.333333 C\n0.310078 0.620155 0.000000 C\n0.427955 0.213978 0.333333 C\n0.689923 0.310078 0.666667 C\n0.000000 0.000000 0.833333 N\n0.000000 0.000000 0.166667 N\n0.000000 0.000000 0.500000 N\n0.749461 0.749461 0.666667 O\n0.453308 0.761692 0.608076 O\n-0.000000 0.250539 0.333333 O\n0.250540 0.000000 0.000000 O\n0.927642 0.280877 0.726510 O\n0.238308 0.546692 0.725257 O\n0.719124 0.072359 0.606824 O\n0.238308 0.691617 0.941411 O\n0.691617 0.453308 0.274743 O\n0.250540 0.250539 0.666667 O\n0.072359 0.353236 0.940158 O\n0.546692 0.308384 0.058590 O\n0.353236 0.280877 0.273491 O\n0.353236 0.072359 0.393176 O\n0.761692 0.453308 0.725257 O\n0.280877 0.927641 0.606824 O\n0.646765 0.719124 0.273491 O\n0.927642 0.646765 0.940158 O\n0.749461 0.000000 0.000000 O\n0.453309 0.691617 0.058590 O\n0.719124 0.646765 0.059842 O\n0.761692 0.308384 0.941411 O\n0.308384 0.546692 0.274743 O\n-0.000000 0.749461 0.333333 O\n0.072359 0.719124 0.726510 O\n0.546692 0.238308 0.608076 O\n0.691617 0.238308 0.391924 O\n0.308384 0.761692 0.391924 O\n0.280877 0.353236 0.059842 O\n0.646765 0.927641 0.393176 O\n",
"nsites": 72,
"nelements": 5,
"elements": [
"Ti",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-Ti",
"density": 1.87020358672584,
"density_atomic": 0.09724041911265233,
"volume": 740.4328432252901,
"volume_molar": 6.193042785041264,
"formula_full": "Ti3 H24 C12 N3 O30",
"formula_reduced": "TiH8C4NO10",
"formula_anonymous": "ABC4D8E10",
"energy_above_hull": 4.085421107638889,
"spacegroup": 181
}
]
}