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=nelements&page=4131",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4129",
"results": [
{
"id": "jvasp-10970",
"created_at": "2022-09-04T14:37:18.117913Z",
"updated_at": "2022-09-04T14:37:18.117944Z",
"structure_string": "Sb1 S2 N1 F6\n1.0\n5.300394 0.000578 0.045173\n0.031602 5.394549 2.162951\n0.001087 0.045298 5.811924\nSb S N F\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Sb\n0.373466 0.638547 0.638546 S\n0.626534 0.361453 0.361452 S\n0.500000 0.500000 0.499999 N\n0.300402 0.109635 0.109635 F\n0.699598 0.890366 0.890364 F\n0.857732 0.328283 0.908573 F\n0.142268 0.091426 0.671717 F\n0.142268 0.671718 0.091426 F\n0.857731 0.908575 0.328281 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sb",
"S",
"N",
"F"
],
"chemical_system": "F-N-S-Sb",
"density": 3.1462951872557468,
"density_atomic": 0.06036384208757457,
"volume": 165.66208601321657,
"volume_molar": 9.976404005668174,
"formula_full": "Sb1 S2 N1 F6",
"formula_reduced": "SbS2NF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.0000941045000002,
"spacegroup": 12
},
{
"id": "jvasp-21326",
"created_at": "2022-09-04T14:37:06.913699Z",
"updated_at": "2022-09-04T14:37:06.913709Z",
"structure_string": "Zn4 Cu2 W2 O12\n1.0\n0.000000 5.001263 0.007954\n5.107185 0.000000 0.000000\n0.000000 -4.888541 -8.571515\nZn Cu W O\n4 2 2 12\ndirect\n0.255090 0.973341 0.263319 Zn\n0.744911 0.473341 0.236682 Zn\n0.744911 0.026660 0.736682 Zn\n0.255090 0.526660 0.763319 Zn\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.661669 0.116522 0.300939 O\n0.338331 0.616523 0.199062 O\n0.725817 0.691907 0.045447 O\n0.274184 0.191907 0.454554 O\n0.274184 0.308094 0.954554 O\n0.918522 0.198962 0.103207 O\n0.081479 0.801039 0.896794 O\n0.918522 0.301039 0.603207 O\n0.338332 0.883479 0.699062 O\n0.081478 0.698962 0.396794 O\n0.725817 0.808094 0.545447 O\n0.661669 0.383478 0.800939 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Cu",
"W",
"O"
],
"chemical_system": "Cu-O-W-Zn",
"density": 7.199730476229512,
"density_atomic": 0.09143347491250424,
"volume": 218.73826866077957,
"volume_molar": 6.586363217369556,
"formula_full": "Zn4 Cu2 W2 O12",
"formula_reduced": "Zn2CuWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.091519225,
"spacegroup": 14
},
{
"id": "jvasp-34479",
"created_at": "2022-09-04T14:37:18.146629Z",
"updated_at": "2022-09-04T14:37:18.146649Z",
"structure_string": "Ba4 Fe2 S4 I5\n1.0\n4.878392 0.000000 1.285240\n2.439196 9.749879 0.642620\n-0.044707 0.000000 10.070788\nBa Fe S I\n4 2 4 5\ndirect\n0.056455 0.692367 0.194723 Ba\n0.251178 0.805277 0.692367 Ba\n0.748822 0.194723 0.307633 Ba\n0.943545 0.307633 0.805277 Ba\n0.250000 0.500000 0.500000 Fe\n0.750000 0.500000 0.500000 Fe\n0.902722 0.678065 0.516492 S\n0.419214 0.483508 0.678065 S\n0.097278 0.321935 0.483508 S\n0.580786 0.516492 0.321936 S\n0.295248 0.338249 0.071255 I\n0.366503 0.928746 0.338249 I\n0.704752 0.661751 0.928746 I\n0.000000 0.000000 0.000000 I\n0.633497 0.071255 0.661751 I\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ba",
"Fe",
"S",
"I"
],
"chemical_system": "Ba-Fe-I-S",
"density": 4.9299791719266475,
"density_atomic": 0.03127837997708397,
"volume": 479.56447907435467,
"volume_molar": 19.253365309878923,
"formula_full": "Ba4 Fe2 S4 I5",
"formula_reduced": "Ba4Fe2S4I5",
"formula_anonymous": "A2B4C4D5",
"energy_above_hull": 0.8764950836666667,
"spacegroup": 87
},
{
"id": "jvasp-8428",
"created_at": "2022-09-04T14:37:18.150686Z",
"updated_at": "2022-09-04T14:37:18.150705Z",
"structure_string": "Ba1 Cu1 W1 O5\n1.0\n3.830790 0.000000 0.000000\n-0.000000 3.830790 0.000000\n-0.000000 0.000000 7.991873\nBa Cu W O\n1 1 1 5\ndirect\n0.000000 0.000000 0.047611 Ba\n0.500000 0.500000 0.301342 Cu\n0.500000 0.500000 0.670742 W\n0.000000 0.500000 0.643825 O\n0.500000 0.000000 0.643825 O\n0.000000 0.500000 0.260885 O\n0.500000 0.000000 0.260885 O\n0.500000 0.500000 0.894730 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"W",
"O"
],
"chemical_system": "Ba-Cu-O-W",
"density": 6.579696350129299,
"density_atomic": 0.068212618781141,
"volume": 117.28035285770014,
"volume_molar": 8.82848491614423,
"formula_full": "Ba1 Cu1 W1 O5",
"formula_reduced": "BaCuWO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.57554049,
"spacegroup": 99
},
{
"id": "jvasp-57246",
"created_at": "2022-09-04T14:37:11.931247Z",
"updated_at": "2022-09-04T14:37:11.931266Z",
"structure_string": "Na3 Co2 Sb1 O6\n1.0\n5.352128 0.036145 0.009503\n-2.633027 4.659547 0.004498\n-0.905675 -1.558007 5.348651\nNa Co Sb O\n3 2 1 6\ndirect\n0.176329 0.823664 0.500000 Na\n0.823671 0.176335 0.500000 Na\n0.500001 0.499999 0.500000 Na\n0.661732 0.338221 0.000003 Co\n0.338267 0.661778 -0.000004 Co\n-0.000003 -0.000002 -0.000003 Sb\n0.067163 0.386482 0.206647 O\n0.613532 0.932858 0.793344 O\n0.386470 0.067142 0.206657 O\n0.932838 0.613518 0.793354 O\n0.246164 0.246176 0.790470 O\n0.753837 0.753823 0.209530 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Na",
"Co",
"Sb",
"O"
],
"chemical_system": "Co-Na-O-Sb",
"density": 5.0132608553409055,
"density_atomic": 0.08954370401915256,
"volume": 134.0127721032549,
"volume_molar": 6.725364810363352,
"formula_full": "Na3 Co2 Sb1 O6",
"formula_reduced": "Na3Co2SbO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.962914658333333,
"spacegroup": 12
},
{
"id": "jvasp-28720",
"created_at": "2022-09-04T14:37:11.917961Z",
"updated_at": "2022-09-04T14:37:11.917978Z",
"structure_string": "Mo3 W1 Se2 S6\n1.0\n3.223342 -0.000000 0.000001\n-1.611671 2.791512 -0.000011\n0.000012 -0.000117 34.087658\nMo W Se S\n3 1 2 6\ndirect\n0.333317 0.666636 0.093463 Mo\n0.666668 0.333336 0.282457 Mo\n0.666676 0.333353 0.654868 Mo\n0.333337 0.666671 0.472126 W\n0.333334 0.666666 0.332643 Se\n0.333338 0.666676 0.232270 Se\n0.333346 0.666696 0.700494 S\n0.666641 0.333290 0.047842 S\n0.666673 0.333335 0.426206 S\n0.666657 0.333313 0.139143 S\n0.666668 0.333339 0.518029 S\n0.333341 0.666681 0.609206 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 4.4500205283723036,
"density_atomic": 0.03912354467828553,
"volume": 306.7206741791031,
"volume_molar": 15.392625615905473,
"formula_full": "Mo3 W1 Se2 S6",
"formula_reduced": "Mo3W(SeS3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.000984536111112,
"spacegroup": 156
},
{
"id": "jvasp-49203",
"created_at": "2022-09-04T14:37:18.117595Z",
"updated_at": "2022-09-04T14:37:18.117621Z",
"structure_string": "Sr4 Ca2 U2 O12\n1.0\n0.000000 5.951673 -0.004149\n6.116528 0.000000 0.000000\n0.000000 -5.912993 -8.476958\nSr Ca U O\n4 2 2 12\ndirect\n0.734224 0.548637 0.247493 Sr\n0.265776 0.048636 0.252508 Sr\n0.734224 0.951364 0.747493 Sr\n0.265776 0.451364 0.752508 Sr\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.247501 0.719367 0.560946 O\n0.752500 0.219366 0.939055 O\n0.666236 0.688869 0.950414 O\n0.333765 0.188869 0.549587 O\n0.333765 0.311131 0.049587 O\n0.130662 0.042755 0.734952 O\n0.869338 0.957246 0.265049 O\n0.130662 0.457245 0.234952 O\n0.247501 0.780634 0.060946 O\n0.869338 0.542755 0.765049 O\n0.666235 0.811131 0.450414 O\n0.752499 0.280634 0.439055 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"U",
"O"
],
"chemical_system": "Ca-O-Sr-U",
"density": 5.909187103441815,
"density_atomic": 0.06477908418762947,
"volume": 308.7416293517051,
"volume_molar": 9.296427752138579,
"formula_full": "Sr4 Ca2 U2 O12",
"formula_reduced": "Sr2CaUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.9181680040000004,
"spacegroup": 14
},
{
"id": "jvasp-21731",
"created_at": "2022-09-04T14:37:30.108330Z",
"updated_at": "2022-09-04T14:37:30.108345Z",
"structure_string": "Na2 Nd4 Ru2 O12\n1.0\n0.000000 5.516573 -0.000391\n5.960547 0.000000 0.000000\n0.000000 -5.379559 -7.939391\nNa Nd Ru O\n2 4 2 12\ndirect\n0.000000 0.000000 0.000000 Na\n-0.000000 0.500000 0.500000 Na\n0.773853 0.425906 0.752736 Nd\n0.226146 0.925906 0.747264 Nd\n0.226146 0.574095 0.247264 Nd\n0.773853 0.074094 0.252736 Nd\n0.500000 0.500000 -0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.155432 0.826710 0.448722 O\n0.844567 0.326710 0.051277 O\n0.614603 0.453065 0.232203 O\n0.385396 0.953065 0.267797 O\n0.385396 0.546936 0.767797 O\n0.269315 0.218033 0.933716 O\n0.730684 0.781968 0.066284 O\n0.269315 0.281967 0.433716 O\n0.155432 0.673291 0.948722 O\n0.730684 0.718033 0.566284 O\n0.614603 0.046935 0.732203 O\n0.844567 0.173291 0.551277 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Nd",
"Ru",
"O"
],
"chemical_system": "Na-Nd-O-Ru",
"density": 6.469054693450219,
"density_atomic": 0.07660664843195289,
"volume": 261.0739460526762,
"volume_molar": 7.861120259489313,
"formula_full": "Na2 Nd4 Ru2 O12",
"formula_reduced": "NaNd2RuO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.3237613500000007,
"spacegroup": 14
},
{
"id": "jvasp-5119",
"created_at": "2022-09-04T14:37:07.885891Z",
"updated_at": "2022-09-04T14:37:07.885912Z",
"structure_string": "Ba2 U1 Cu1 O6\n1.0\n6.402633 0.004205 -3.507959\n-1.914079 6.108346 -3.507212\n-0.638144 -0.868324 6.441680\nBa U Cu O\n2 1 1 6\ndirect\n0.500004 0.000001 -0.000001 Ba\n0.999985 0.499999 -0.000001 Ba\n0.000005 -0.000001 -0.000000 U\n0.499992 0.500001 -0.000000 Cu\n0.196551 0.196882 -0.000000 O\n0.197142 0.803187 0.000000 O\n0.719259 0.719257 0.438514 O\n0.803452 0.803122 -0.000000 O\n0.280747 0.280744 0.561487 O\n0.802861 0.196808 -0.000001 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"U",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-O-U",
"density": 5.240906994003536,
"density_atomic": 0.04695074578323263,
"volume": 212.98916200754513,
"volume_molar": 12.826507139638808,
"formula_full": "Ba2 U1 Cu1 O6",
"formula_reduced": "Ba2UCuO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.100327939,
"spacegroup": 139
},
{
"id": "jvasp-48368",
"created_at": "2022-09-04T14:37:11.903276Z",
"updated_at": "2022-09-04T14:37:11.903298Z",
"structure_string": "Li1 Co5 O3 F5\n1.0\n-4.253665 4.427895 -0.178339\n4.302409 -0.128030 4.302409\n4.124070 4.299865 0.048744\nLi Co O F\n1 5 3 5\ndirect\n0.623001 0.741835 0.623002 Li\n0.600191 0.216723 0.146649 Co\n0.963254 0.045554 0.963256 Co\n0.624101 0.243275 0.624103 Co\n0.289650 0.487312 0.289651 Co\n0.146648 0.763181 0.600192 Co\n0.399770 0.228055 0.399771 O\n0.847551 0.297290 0.847554 O\n0.390339 0.757312 0.390340 O\n0.873239 0.226280 0.381386 F\n0.875727 0.760539 0.373283 F\n0.373282 0.258092 0.875729 F\n0.861860 0.740113 0.861862 F\n0.381385 0.734427 0.873240 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.826484414714551,
"density_atomic": 0.09152571533894928,
"volume": 152.9624756075763,
"volume_molar": 6.5797254221920785,
"formula_full": "Li1 Co5 O3 F5",
"formula_reduced": "LiCo5O3F5",
"formula_anonymous": "AB3C5D5",
"energy_above_hull": 1.9784276008928572,
"spacegroup": 8
},
{
"id": "jvasp-28977",
"created_at": "2022-09-04T14:37:30.628276Z",
"updated_at": "2022-09-04T14:37:30.628308Z",
"structure_string": "Te2 Mo1 W3 S6\n1.0\n3.275014 -0.000000 0.000000\n-1.637508 2.836243 0.000001\n0.000000 0.000011 37.230855\nTe Mo W S\n2 1 3 6\ndirect\n0.666637 0.333274 0.417515 Te\n0.666640 0.333283 0.521763 Te\n0.666701 0.333405 0.281753 Mo\n0.333310 0.666622 0.093926 W\n0.333307 0.666615 0.469648 W\n0.666691 0.333384 0.657602 W\n0.333351 0.666703 0.323085 S\n0.333352 0.666707 0.699068 S\n0.666646 0.333295 0.052425 S\n0.666645 0.333291 0.135449 S\n0.333351 0.666703 0.240440 S\n0.333353 0.666710 0.616077 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.258034595907607,
"density_atomic": 0.03469937387529112,
"volume": 345.82756574017066,
"volume_molar": 17.355185663128847,
"formula_full": "Te2 Mo1 W3 S6",
"formula_reduced": "Te2Mo(WS2)3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.317334286111111,
"spacegroup": 156
},
{
"id": "jvasp-100898",
"created_at": "2022-09-04T14:37:06.901927Z",
"updated_at": "2022-09-04T14:37:06.901947Z",
"structure_string": "K2 Hg1 As1 I6\n1.0\n7.263559 -0.000000 4.193618\n2.421186 6.848149 4.193618\n-0.000000 -0.000000 8.387235\nK Hg As I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.757184 0.242817 0.242817 I\n0.242817 0.242817 0.757184 I\n0.242817 0.757184 0.757184 I\n0.242817 0.757184 0.242817 I\n0.757184 0.242817 0.757184 I\n0.757184 0.757184 0.242817 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Hg",
"As",
"I"
],
"chemical_system": "As-Hg-I-K",
"density": 4.438488214587284,
"density_atomic": 0.02396947483461039,
"volume": 417.1972923478757,
"volume_molar": 25.124208192097782,
"formula_full": "K2 Hg1 As1 I6",
"formula_reduced": "K2HgAsI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}