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=-volume&page=407",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=405",
"results": [
{
"id": "jvasp-10083",
"created_at": "2022-09-04T14:38:09.046361Z",
"updated_at": "2022-09-04T14:38:09.046370Z",
"structure_string": "Li4 Al4 Se8\n1.0\n6.573855 0.000000 0.000000\n0.000000 6.871569 0.000000\n0.000000 0.000000 8.242735\nLi Al Se\n4 4 8\ndirect\n0.002291 0.586778 0.877690 Li\n0.502292 0.413222 0.122309 Li\n0.502292 0.913222 0.377690 Li\n0.002291 0.086778 0.622309 Li\n0.999595 0.574798 0.374075 Al\n0.499595 0.425202 0.625924 Al\n0.499595 0.925202 0.874075 Al\n0.999595 0.074798 0.125925 Al\n0.115871 0.907987 0.365985 Se\n0.615872 0.092013 0.634015 Se\n0.615872 0.592013 0.865984 Se\n0.115871 0.407987 0.134015 Se\n0.632043 0.567233 0.381529 Se\n0.132043 0.432767 0.618470 Se\n0.132043 0.932767 0.881529 Se\n0.632043 0.067233 0.118470 Se\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Al",
"Se"
],
"chemical_system": "Al-Li-Se",
"density": 3.4222098062978406,
"density_atomic": 0.042970718217758136,
"volume": 372.34658073245373,
"volume_molar": 14.014522004222126,
"formula_full": "Li4 Al4 Se8",
"formula_reduced": "LiAlSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9948998833333332,
"spacegroup": 33
},
{
"id": "jvasp-21493",
"created_at": "2022-09-04T14:38:30.126233Z",
"updated_at": "2022-09-04T14:38:30.126271Z",
"structure_string": "Nb6 Te8\n1.0\n5.410386 -9.371064 -0.000000\n5.410386 9.371064 0.000000\n-0.000000 -0.000000 3.671862\nNb Te\n6 8\ndirect\n0.898626 0.387468 0.250000 Nb\n0.511158 0.898626 0.750000 Nb\n0.387468 0.488843 0.750000 Nb\n0.612533 0.511158 0.250000 Nb\n0.488843 0.101375 0.250000 Nb\n0.101375 0.612532 0.750000 Nb\n0.666667 0.333333 0.750000 Te\n0.333333 0.666667 0.250000 Te\n0.728802 0.064719 0.250000 Te\n0.664082 0.728802 0.750000 Te\n0.064719 0.335918 0.750000 Te\n0.935282 0.664082 0.250000 Te\n0.335918 0.271199 0.250000 Te\n0.271199 0.935281 0.750000 Te\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Nb",
"Te"
],
"chemical_system": "Nb-Te",
"density": 7.038630539187149,
"density_atomic": 0.0376005791919932,
"volume": 372.3346900725723,
"volume_molar": 16.01608509605718,
"formula_full": "Nb6 Te8",
"formula_reduced": "Nb3Te4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.219041323809524,
"spacegroup": 176
},
{
"id": "jvasp-9747",
"created_at": "2022-09-04T14:38:15.496387Z",
"updated_at": "2022-09-04T14:38:15.496411Z",
"structure_string": "Na4 As4 S8\n1.0\n0.000000 5.620266 -0.047637\n11.439392 0.000000 0.000000\n0.000000 0.000088 -5.790472\nNa As S\n4 4 8\ndirect\n0.237061 0.375784 0.499525 Na\n0.762940 0.624216 0.500475 Na\n0.737061 0.124216 0.499525 Na\n0.262940 0.875784 0.500475 Na\n0.249404 0.642669 0.054252 As\n0.250597 0.142669 0.945748 As\n0.750597 0.357331 0.945748 As\n0.749404 0.857331 0.054252 As\n0.330528 0.844189 -0.006781 S\n0.830528 0.655811 -0.006781 S\n0.169473 0.344189 0.006782 S\n0.669473 0.155811 0.006782 S\n0.764888 0.874771 0.432970 S\n0.735113 0.374771 0.567031 S\n0.235113 0.125229 0.567030 S\n0.264888 0.625228 0.432969 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"As",
"S"
],
"chemical_system": "As-Na-S",
"density": 2.891087727184472,
"density_atomic": 0.04297800574258411,
"volume": 372.2834441372565,
"volume_molar": 14.012145645075972,
"formula_full": "Na4 As4 S8",
"formula_reduced": "NaAsS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1772101875,
"spacegroup": 14
},
{
"id": "jvasp-118998",
"created_at": "2022-09-04T14:38:49.775448Z",
"updated_at": "2022-09-04T14:38:49.775472Z",
"structure_string": "Na4 Bi2 B2 As2 O14\n1.0\n7.175540 -0.000000 0.000000\n0.000000 5.425245 0.007167\n-0.000000 -0.169706 9.562704\nNa Bi B As O\n4 2 2 2 14\ndirect\n0.499036 0.266262 0.793079 Na\n0.000964 0.266262 0.793079 Na\n0.500964 0.733738 0.206920 Na\n-0.000964 0.733738 0.206920 Na\n0.750000 0.805280 0.629827 Bi\n0.250000 0.194720 0.370172 Bi\n0.750000 0.772740 0.912260 B\n0.250000 0.227260 0.087740 B\n0.250000 0.730687 0.603092 As\n0.750000 0.269313 0.396908 As\n0.250000 0.442639 0.168968 O\n0.939757 0.120976 0.324896 O\n0.560243 0.120976 0.324896 O\n0.250000 0.778267 0.421869 O\n0.750000 0.579667 0.371325 O\n0.250000 0.420333 0.628675 O\n0.750000 0.992478 0.842632 O\n0.439757 0.879024 0.675104 O\n0.060243 0.879024 0.675104 O\n0.750000 0.557361 0.831032 O\n0.250000 0.007522 0.157368 O\n0.250000 0.256437 0.947321 O\n0.750000 0.221733 0.578131 O\n0.750000 0.743563 0.052679 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"Bi",
"B",
"As",
"O"
],
"chemical_system": "As-B-Bi-Na-O",
"density": 4.038439308320726,
"density_atomic": 0.06446832728545453,
"volume": 372.27582924142234,
"volume_molar": 9.341239355156539,
"formula_full": "Na4 Bi2 B2 As2 O14",
"formula_reduced": "Na2BiBAsO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.2126750944444447,
"spacegroup": 11
},
{
"id": "jvasp-116879",
"created_at": "2022-09-04T14:38:34.551508Z",
"updated_at": "2022-09-04T14:38:34.551518Z",
"structure_string": "V6 O2 F22\n1.0\n5.036367 0.013657 -0.005418\n-0.009544 5.290221 -0.879637\n-0.009073 0.105591 13.954754\nV O F\n6 2 22\ndirect\n0.024065 0.778587 0.663328 V\n0.494334 0.691455 0.333188 V\n0.000000 0.500000 -0.000000 V\n0.505668 0.308545 0.666812 V\n0.975937 0.221413 0.336671 V\n0.500000 0.000000 -0.000000 V\n0.796698 0.481876 0.362531 O\n0.203304 0.518124 0.637469 O\n0.185319 0.180088 0.968183 F\n0.607208 0.304729 0.546320 F\n0.892793 0.126604 0.213954 F\n0.610279 0.973195 0.879884 F\n0.686537 -0.001402 0.365581 F\n0.389723 0.026806 0.120115 F\n0.107208 0.873397 0.786046 F\n0.292929 0.368664 0.300561 F\n0.111162 0.191190 0.450776 F\n0.806126 0.137895 0.697449 F\n0.392794 0.695272 0.453680 F\n0.389912 0.361216 0.786767 F\n0.111458 0.523673 0.120034 F\n0.313464 0.001402 0.634419 F\n0.888544 0.476327 0.879966 F\n0.610090 0.638784 0.213232 F\n0.888840 0.808810 0.549224 F\n0.314405 0.680155 0.968696 F\n0.707073 0.631337 0.699438 F\n0.814683 0.819912 0.031817 F\n0.685597 0.319845 0.031304 F\n0.193876 0.862105 0.302551 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.370442641940836,
"density_atomic": 0.08058604950156603,
"volume": 372.2728708697528,
"volume_molar": 7.472932098356517,
"formula_full": "V6 O2 F22",
"formula_reduced": "V3OF11",
"formula_anonymous": "AB3C11",
"energy_above_hull": 0.9578179471666666,
"spacegroup": 2
},
{
"id": "jvasp-29048",
"created_at": "2022-09-04T14:37:14.631194Z",
"updated_at": "2022-09-04T14:37:14.631221Z",
"structure_string": "Te6 Mo2 W2 S2\n1.0\n3.470626 -0.000000 0.000000\n-1.735312 3.005727 -0.000136\n0.000000 -0.001730 35.686146\nTe Mo W S\n6 2 2 2\ndirect\n0.333331 0.666659 0.340234 Te\n0.333366 0.666732 0.708893 Te\n0.666680 0.333357 0.033634 Te\n0.666601 0.333200 0.137176 Te\n0.333333 0.666667 0.236091 Te\n0.333374 0.666748 0.604811 Te\n0.333291 0.666580 0.085344 Mo\n0.333340 0.666679 0.472500 Mo\n0.666704 0.333406 0.288138 W\n0.666680 0.333358 0.656924 W\n0.666633 0.333264 0.430989 S\n0.666679 0.333354 0.514012 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 6.197050163741903,
"density_atomic": 0.032234745859307946,
"volume": 372.2691052808452,
"volume_molar": 18.68214127167091,
"formula_full": "Te6 Mo2 W2 S2",
"formula_reduced": "Te3MoWS",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.397444866666667,
"spacegroup": 156
},
{
"id": "jvasp-117100",
"created_at": "2022-09-04T14:38:50.412391Z",
"updated_at": "2022-09-04T14:38:50.412420Z",
"structure_string": "Li4 Fe4 F20\n1.0\n4.899276 -0.000000 0.000000\n0.000000 7.371593 0.000000\n-0.000000 -0.000000 10.307715\nLi Fe F\n4 4 20\ndirect\n0.701041 0.250000 -0.000000 Li\n0.701041 0.250000 0.500000 Li\n0.298960 0.750000 -0.000000 Li\n0.298960 0.750000 0.500000 Li\n-0.000247 -0.000142 0.250000 Fe\n-0.000247 0.500142 0.750000 Fe\n0.000247 0.499857 0.250000 Fe\n0.000247 0.000142 0.750000 Fe\n0.843414 0.750182 0.750000 F\n0.761322 0.064219 0.627568 F\n0.761322 0.064219 0.872432 F\n0.760815 0.063983 0.372412 F\n0.761322 0.435781 0.372432 F\n0.760815 0.063983 0.127588 F\n0.843414 0.749817 0.250000 F\n0.761322 0.435781 0.127568 F\n0.156587 0.249817 0.250000 F\n0.238679 0.564219 0.627568 F\n0.238679 0.564219 0.872432 F\n0.238679 0.935781 0.372432 F\n0.760815 0.436017 0.627588 F\n0.238679 0.935781 0.127568 F\n0.239186 0.936017 0.872413 F\n0.239186 0.936017 0.627588 F\n0.239186 0.563983 0.372412 F\n0.239186 0.563983 0.127588 F\n0.156587 0.250183 0.750000 F\n0.760815 0.436017 0.872413 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 2.8151395113411564,
"density_atomic": 0.07521463878424545,
"volume": 372.26795810744375,
"volume_molar": 8.00660730057432,
"formula_full": "Li4 Fe4 F20",
"formula_reduced": "LiFeF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.2215624160714284,
"spacegroup": 51
},
{
"id": "jvasp-19337",
"created_at": "2022-09-04T14:38:36.454129Z",
"updated_at": "2022-09-04T14:38:36.454141Z",
"structure_string": "Mg4 Mo4 F20\n1.0\n0.000000 5.059353 0.029718\n10.200054 0.000000 0.000000\n0.000000 -2.403694 -7.226537\nMg Mo F\n4 4 20\ndirect\n0.526197 0.008358 0.219892 Mg\n0.473803 0.508358 0.280108 Mg\n0.473803 0.991642 0.780108 Mg\n0.526198 0.491642 0.719892 Mg\n0.105745 0.759034 0.369514 Mo\n0.894255 0.259034 0.130486 Mo\n0.894256 0.240965 0.630486 Mo\n0.105745 0.740965 0.869514 Mo\n0.128172 0.085938 0.748415 F\n0.237520 0.140402 0.174058 F\n0.762480 0.640402 0.325942 F\n0.850421 0.164512 0.366677 F\n0.237521 0.359597 0.674058 F\n0.149578 0.664511 0.133323 F\n0.871828 0.585937 0.751585 F\n0.762480 0.859597 0.825942 F\n0.871828 0.914062 0.251585 F\n0.645451 0.101417 0.007621 F\n0.354549 0.898583 0.992379 F\n0.645452 0.398583 0.507621 F\n0.850422 0.335488 0.866677 F\n0.354548 0.601416 0.492379 F\n0.432437 0.614864 0.889403 F\n0.567564 0.114864 0.610597 F\n0.567564 0.385136 0.110597 F\n0.432436 0.885135 0.389403 F\n0.128172 0.414062 0.248415 F\n0.149579 0.835488 0.633323 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Mo",
"F"
],
"chemical_system": "F-Mg-Mo",
"density": 3.841030090507849,
"density_atomic": 0.0752280300777782,
"volume": 372.2016909262521,
"volume_molar": 8.005182049528232,
"formula_full": "Mg4 Mo4 F20",
"formula_reduced": "MgMoF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.305985194642857,
"spacegroup": 14
},
{
"id": "jvasp-97620",
"created_at": "2022-09-04T14:36:11.397913Z",
"updated_at": "2022-09-04T14:36:11.397939Z",
"structure_string": "Np10 Ge8\n1.0\n8.637627 0.000000 -0.000000\n-4.318813 7.480404 0.000000\n0.000000 -0.000000 5.760083\nNp Ge\n10 8\ndirect\n0.333333 0.666667 0.000000 Np\n0.706179 -0.000000 0.750000 Np\n0.000000 0.293821 0.250000 Np\n0.000000 0.706179 0.750000 Np\n0.293821 0.293821 0.750000 Np\n0.706179 0.706179 0.250000 Np\n0.333333 0.666667 0.500000 Np\n0.666667 0.333333 0.000000 Np\n0.666667 0.333333 0.500000 Np\n0.293821 -0.000000 0.250000 Np\n0.000000 0.000000 0.000000 Ge\n0.628546 -0.000000 0.250000 Ge\n0.628546 0.628546 0.750000 Ge\n0.000000 0.371454 0.750000 Ge\n0.000000 0.628546 0.250000 Ge\n0.371454 0.371454 0.250000 Ge\n0.371454 -0.000000 0.750000 Ge\n0.000000 0.000000 0.500000 Ge\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Np",
"Ge"
],
"chemical_system": "Ge-Np",
"density": 13.167026987479403,
"density_atomic": 0.04836422845770401,
"volume": 372.17589474711764,
"volume_molar": 12.451642364700485,
"formula_full": "Np10 Ge8",
"formula_reduced": "Np5Ge4",
"formula_anonymous": "A4B5",
"energy_above_hull": 5.053058200000001,
"spacegroup": 193
},
{
"id": "jvasp-36967",
"created_at": "2022-09-04T14:38:33.086821Z",
"updated_at": "2022-09-04T14:38:33.086841Z",
"structure_string": "Rb2 Tl2 Br6\n1.0\n6.956728 -0.105269 3.842520\n2.219055 6.594160 3.842520\n-0.148859 -0.105269 7.945997\nRb Tl Br\n2 2 6\ndirect\n0.261691 0.261691 0.261691 Rb\n0.761692 0.761691 0.761691 Rb\n0.005523 0.005523 0.005523 Tl\n0.505523 0.505523 0.505523 Tl\n0.251586 0.832263 0.677439 Br\n0.832264 0.677439 0.251585 Br\n0.677439 0.251585 0.832263 Br\n0.177439 0.332263 0.751585 Br\n0.751586 0.177439 0.332263 Br\n0.332264 0.751585 0.177438 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Tl",
"Br"
],
"chemical_system": "Br-Rb-Tl",
"density": 4.726250559005458,
"density_atomic": 0.026873233938689706,
"volume": 372.1174765498872,
"volume_molar": 22.409438230394198,
"formula_full": "Rb2 Tl2 Br6",
"formula_reduced": "RbTlBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0009780000000003,
"spacegroup": 161
},
{
"id": "jvasp-29297",
"created_at": "2022-09-04T14:38:00.351432Z",
"updated_at": "2022-09-04T14:38:00.351456Z",
"structure_string": "U4 Pb4 O16\n1.0\n5.617681 -0.000000 0.000000\n0.000000 8.015326 0.000000\n0.000000 0.000000 8.260131\nU Pb O\n4 4 16\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.500000 0.000000 U\n0.000000 0.500000 0.500000 U\n0.000000 0.000000 0.500000 U\n0.501433 0.203860 0.250000 Pb\n0.501433 0.296141 0.750000 Pb\n0.498567 0.703860 0.250000 Pb\n0.498567 0.796141 0.750000 Pb\n0.868541 0.462228 0.750000 O\n0.868541 0.037772 0.250000 O\n0.156269 0.250000 0.500000 O\n0.843731 0.750000 0.000000 O\n0.843731 0.750000 0.500000 O\n0.156269 0.250000 0.000000 O\n0.300514 0.913431 0.421595 O\n0.699485 0.086570 0.578404 O\n0.699485 0.413430 0.078405 O\n0.699485 0.086570 0.921595 O\n0.131459 0.537772 0.250000 O\n0.699485 0.413430 0.421595 O\n0.300514 0.586570 0.921595 O\n0.300514 0.913431 0.078405 O\n0.300514 0.586570 0.578404 O\n0.131459 0.962229 0.750000 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"U",
"Pb",
"O"
],
"chemical_system": "O-Pb-U",
"density": 9.093998821705847,
"density_atomic": 0.06452767864875593,
"volume": 371.9334168309294,
"volume_molar": 9.332647456265043,
"formula_full": "U4 Pb4 O16",
"formula_reduced": "UPbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.483440136666667,
"spacegroup": 57
},
{
"id": "jvasp-29064",
"created_at": "2022-09-04T14:37:32.667141Z",
"updated_at": "2022-09-04T14:37:32.667165Z",
"structure_string": "Te4 Mo3 W1 Se4\n1.0\n3.445982 -0.000000 0.000073\n-1.722991 2.984304 -0.000312\n0.000754 -0.003349 36.166438\nTe Mo W Se\n4 3 1 4\ndirect\n0.333358 0.666766 0.332605 Te\n0.333350 0.666720 0.711327 Te\n0.333272 0.666495 0.229314 Te\n0.333272 0.666460 0.608598 Te\n0.333365 0.666746 0.091475 Mo\n0.333337 0.666691 0.470474 Mo\n0.666644 0.333257 0.660003 Mo\n0.666643 0.333285 0.280959 W\n0.666664 0.333304 0.046329 Se\n0.666643 0.333264 0.425255 Se\n0.666738 0.333536 0.136706 Se\n0.666706 0.333469 0.515701 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.7946676273136255,
"density_atomic": 0.03226409195268414,
"volume": 371.93050458690146,
"volume_molar": 18.66514876300122,
"formula_full": "Te4 Mo3 W1 Se4",
"formula_reduced": "Te4Mo3WSe4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 3.539766852777778,
"spacegroup": 156
}
]
}