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=4628",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4626",
"results": [
{
"id": "jvasp-85708",
"created_at": "2022-09-04T14:35:57.460112Z",
"updated_at": "2022-09-04T14:35:57.460129Z",
"structure_string": "K2 Co1 H4 Se2 O10\n1.0\n6.261451 0.017278 -1.757193\n-3.018478 6.748693 -0.859881\n0.061568 -0.002146 5.590242\nK Co H Se O\n2 1 4 2 10\ndirect\n0.678845 0.261918 0.272684 K\n0.321155 0.738081 0.727316 K\n0.000000 0.000000 0.000000 Co\n0.845840 0.607985 0.851348 H\n0.154160 0.392015 0.148652 H\n0.991526 0.689086 0.140624 H\n0.008473 0.310913 0.859376 H\n0.697404 0.774652 0.366992 Se\n0.302596 0.225348 0.633008 Se\n0.577648 0.388518 0.732082 O\n0.422352 0.611482 0.267918 O\n0.116359 0.335239 0.600187 O\n0.883640 0.664760 0.399813 O\n0.729053 0.913590 0.147347 O\n0.746183 0.927102 0.644911 O\n0.270946 0.086409 0.852653 O\n-0.004714 0.711613 0.969130 O\n0.253816 0.072897 0.355089 O\n0.004713 0.288386 0.030869 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"K",
"Co",
"H",
"Se",
"O"
],
"chemical_system": "Co-H-K-O-Se",
"density": 3.213493256527331,
"density_atomic": 0.08009358412632427,
"volume": 237.2224967487164,
"volume_molar": 7.518880351891645,
"formula_full": "K2 Co1 H4 Se2 O10",
"formula_reduced": "K2CoH4(SeO5)2",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 2.503645717543859,
"spacegroup": 2
},
{
"id": "jvasp-86028",
"created_at": "2022-09-04T14:35:55.053282Z",
"updated_at": "2022-09-04T14:35:55.053296Z",
"structure_string": "Sc1 Cr2 Ag1 H4 O10\n1.0\n5.625996 0.004415 -0.028131\n-2.801138 4.921249 -2.130177\n-0.012009 -0.034161 7.322993\nSc Cr Ag H O\n1 2 1 4 10\ndirect\n0.000000 0.000000 0.000000 Sc\n0.637352 0.236832 0.317728 Cr\n0.362648 0.763167 0.682271 Cr\n-0.000000 0.000000 0.500000 Ag\n0.240293 0.491172 0.955825 H\n0.702637 0.436188 0.800283 H\n0.759707 0.508827 0.044174 H\n0.297363 0.563811 0.199716 H\n0.167464 0.918484 0.742633 O\n0.779266 0.580117 0.938710 O\n0.220734 0.419883 0.061289 O\n0.608466 0.298149 0.548874 O\n0.832536 0.081515 0.257366 O\n0.677765 0.966959 0.828916 O\n0.322235 0.033040 0.171083 O\n0.211288 0.475426 0.712300 O\n0.788712 0.524573 0.287699 O\n0.391534 0.701850 0.451125 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Sc",
"Cr",
"Ag",
"H",
"O"
],
"chemical_system": "Ag-Cr-H-O-Sc",
"density": 3.452211958371885,
"density_atomic": 0.0889204619184068,
"volume": 202.42809823139197,
"volume_molar": 6.772502785158607,
"formula_full": "Sc1 Cr2 Ag1 H4 O10",
"formula_reduced": "ScCr2Ag(H2O5)2",
"formula_anonymous": "ABC2D4E10",
"energy_above_hull": 3.137874017222222,
"spacegroup": 2
},
{
"id": "jvasp-50870",
"created_at": "2022-09-04T14:35:54.805844Z",
"updated_at": "2022-09-04T14:35:54.805863Z",
"structure_string": "Cd1 Cu1 H8 Cl4 O4\n1.0\n3.997310 0.003544 -0.055713\n1.892523 6.717739 -0.186450\n1.076549 -0.101462 8.432669\nCd Cu H Cl O\n1 1 8 4 4\ndirect\n0.000000 0.000000 0.500000 Cd\n0.500000 -0.000000 0.000000 Cu\n0.883128 0.659603 0.879922 H\n0.663954 0.639357 0.047912 H\n0.580989 0.407162 0.207733 H\n0.722551 0.559983 0.305317 H\n0.336045 0.360642 0.952089 H\n0.277448 0.440017 0.694684 H\n0.116871 0.340397 0.120078 H\n0.419011 0.592838 0.792268 H\n0.075204 0.934200 0.189231 Cl\n0.369982 0.262324 0.475272 Cl\n0.630017 0.737676 0.524729 Cl\n0.924795 0.065799 0.810770 Cl\n0.743371 0.491649 0.200363 O\n0.350136 0.285080 0.053674 O\n0.256628 0.508351 0.799638 O\n0.649863 0.714920 0.946327 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Cd",
"Cu",
"H",
"Cl",
"O"
],
"chemical_system": "Cd-Cl-Cu-H-O",
"density": 2.855159732829075,
"density_atomic": 0.079392307748772,
"volume": 226.72221667820727,
"volume_molar": 7.58529501252991,
"formula_full": "Cd1 Cu1 H8 Cl4 O4",
"formula_reduced": "CdCuH8(ClO)4",
"formula_anonymous": "ABC4D4E8",
"energy_above_hull": 1.9234566927777776,
"spacegroup": 2
},
{
"id": "jvasp-94834",
"created_at": "2022-09-04T14:35:47.747006Z",
"updated_at": "2022-09-04T14:35:47.747033Z",
"structure_string": "Ba1 Zn1 B1 O3 F1\n1.0\n0.000000 0.000000 -4.335599\n-2.549185 -4.415312 0.000000\n-2.549168 4.415302 0.000000\nBa Zn B O F\n1 1 1 3 1\ndirect\n0.500000 0.666676 0.333337 Ba\n0.000000 0.333345 0.666671 Zn\n0.000000 0.000007 0.000006 B\n0.000000 0.975017 0.258133 O\n0.000000 0.741882 0.716889 O\n0.000000 0.283122 0.024991 O\n0.500000 0.333354 0.666676 F\n",
"nsites": 7,
"nelements": 5,
"elements": [
"Ba",
"Zn",
"B",
"O",
"F"
],
"chemical_system": "B-Ba-F-O-Zn",
"density": 4.7731991315084485,
"density_atomic": 0.07172294684055398,
"volume": 97.5977746084747,
"volume_molar": 8.396393379356978,
"formula_full": "Ba1 Zn1 B1 O3 F1",
"formula_reduced": "BaZnBO3F",
"formula_anonymous": "ABCDE3",
"energy_above_hull": 1.1937342479761903,
"spacegroup": 174
},
{
"id": "jvasp-90270",
"created_at": "2022-09-04T14:35:49.744635Z",
"updated_at": "2022-09-04T14:35:49.744661Z",
"structure_string": "Rb1 Be2 B1 O3 F2\n1.0\n0.000000 -4.474434 0.000000\n-3.612381 2.237216 1.401757\n0.047379 0.000000 -7.019153\nRb Be B O F\n1 2 1 3 2\ndirect\n0.004943 0.000000 0.000000 Rb\n0.200345 0.390915 0.586387 Be\n0.809430 0.609085 0.413612 Be\n0.504894 -0.000000 0.500000 B\n0.813056 -0.000000 0.500000 O\n0.196716 0.691817 0.499984 O\n0.504898 0.308182 0.500015 O\n0.730449 0.451187 0.176837 F\n0.279262 0.548813 0.823162 F\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Rb",
"Be",
"B",
"O",
"F"
],
"chemical_system": "B-Be-F-O-Rb",
"density": 2.9393326720324544,
"density_atomic": 0.07953626114503501,
"volume": 113.15593504688921,
"volume_molar": 7.571566318686489,
"formula_full": "Rb1 Be2 B1 O3 F2",
"formula_reduced": "RbBe2BO3F2",
"formula_anonymous": "ABC2D2E3",
"energy_above_hull": 1.5230117609259255,
"spacegroup": 155
},
{
"id": "jvasp-85723",
"created_at": "2022-09-04T14:35:49.000096Z",
"updated_at": "2022-09-04T14:35:49.000123Z",
"structure_string": "K2 Mg1 Mo2 H4 O10\n1.0\n4.959122 -0.636696 -1.747931\n-2.079829 7.314735 -0.143363\n-1.671764 1.759039 6.807201\nK Mg Mo H O\n2 1 2 4 10\ndirect\n0.540793 0.749055 0.437851 K\n0.459206 0.250944 0.562149 K\n0.000000 0.000000 0.000000 Mg\n0.354945 0.704043 0.887016 Mo\n0.645055 0.295956 0.112984 Mo\n0.168828 0.379839 0.080216 H\n0.831172 0.620160 0.919785 H\n0.888308 0.678169 0.272831 H\n0.111692 0.321830 0.727169 H\n0.829956 0.192238 0.040666 O\n0.170044 0.807760 0.959334 O\n0.184480 0.210503 0.825030 O\n0.815520 0.789495 0.174970 O\n0.530155 0.893736 0.746546 O\n0.616675 0.533354 0.872224 O\n0.469845 0.106263 0.253454 O\n0.020859 0.566204 0.677300 O\n0.383325 0.466644 0.127777 O\n-0.020858 0.433795 0.322700 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"K",
"Mg",
"Mo",
"H",
"O"
],
"chemical_system": "H-K-Mg-Mo-O",
"density": 3.397729892250386,
"density_atomic": 0.08480896684786834,
"volume": 224.03291427995458,
"volume_molar": 7.10083023508895,
"formula_full": "K2 Mg1 Mo2 H4 O10",
"formula_reduced": "K2MgMo2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 2.795099571052632,
"spacegroup": 2
},
{
"id": "jvasp-88328",
"created_at": "2022-09-04T14:35:57.024266Z",
"updated_at": "2022-09-04T14:35:57.024287Z",
"structure_string": "H16 C4 S4 N8 O8\n1.0\n10.096981 0.000000 -0.000000\n0.000000 10.940123 0.000000\n-0.000000 0.000000 3.627706\nH C S N O\n16 4 4 8 8\ndirect\n0.128674 0.752397 0.222334 H\n0.452637 0.617159 0.374982 H\n0.547363 0.882841 0.874982 H\n0.952637 0.382841 0.625020 H\n0.952637 0.882841 0.874982 H\n0.547363 0.382841 0.625020 H\n0.452637 0.117159 0.125019 H\n0.047363 0.117159 0.125019 H\n0.047363 0.617159 0.374982 H\n0.371326 0.752397 0.222334 H\n0.628674 0.747602 0.722335 H\n0.871326 0.247603 0.777667 H\n0.871326 0.747602 0.722335 H\n0.628674 0.247603 0.777667 H\n0.371326 0.252397 0.277666 H\n0.128674 0.252397 0.277666 H\n0.750000 0.387701 0.613702 C\n0.750000 0.887701 0.886300 C\n0.250000 0.612299 0.386299 C\n0.250000 0.112299 0.113701 C\n0.250000 0.961384 0.862130 S\n0.250000 0.461384 0.637872 S\n0.750000 0.038616 0.137871 S\n0.750000 0.538616 0.362130 S\n0.134538 0.164105 0.173267 N\n0.365462 0.664105 0.326734 N\n0.634538 0.835895 0.826734 N\n0.865461 0.335895 0.673267 N\n0.634538 0.335895 0.673267 N\n0.365462 0.164105 0.173267 N\n0.134538 0.664105 0.326734 N\n0.865461 0.835895 0.826734 N\n0.373121 0.902925 0.018919 O\n0.126879 0.902925 0.018919 O\n0.373121 0.402925 0.481082 O\n0.626878 0.097074 0.981082 O\n0.873121 0.597074 0.518920 O\n0.873121 0.097074 0.981082 O\n0.626878 0.597074 0.518920 O\n0.126879 0.402925 0.481082 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.7921234926777323,
"density_atomic": 0.0998192182248609,
"volume": 400.72443675017314,
"volume_molar": 6.033047410203149,
"formula_full": "H16 C4 S4 N8 O8",
"formula_reduced": "H4CS(NO)2",
"formula_anonymous": "ABC2D2E4",
"energy_above_hull": 3.94656235,
"spacegroup": 62
},
{
"id": "jvasp-97956",
"created_at": "2022-09-04T14:35:49.040641Z",
"updated_at": "2022-09-04T14:35:49.040669Z",
"structure_string": "B4 H40 C8 N20 O12\n1.0\n6.633291 0.000000 0.000000\n0.000000 9.531681 0.000000\n0.000000 0.000000 10.713247\nB H C N O\n4 40 8 20 12\ndirect\n0.856819 0.059718 0.938117 B\n0.643181 0.940282 0.438117 B\n0.356819 0.440282 0.061883 B\n0.143181 0.559718 0.561883 B\n0.406397 0.965786 0.119934 H\n0.093602 0.034214 0.619934 H\n0.845495 0.366488 0.269436 H\n0.654505 0.633511 0.769436 H\n0.345495 0.133512 0.730564 H\n0.154505 0.866488 0.230564 H\n0.838612 0.185360 0.303667 H\n0.661388 0.814640 0.803667 H\n0.161388 0.685360 0.196333 H\n0.593602 0.465786 0.380066 H\n0.445826 0.204640 0.424347 H\n0.054174 0.795359 0.924347 H\n0.945825 0.295359 0.575654 H\n0.554174 0.704640 0.075653 H\n0.366871 0.350898 0.481968 H\n0.866870 0.149102 0.518033 H\n0.633129 0.850898 0.018033 H\n0.338612 0.314640 0.696333 H\n0.906397 0.534214 0.880066 H\n0.133129 0.649102 0.981968 H\n0.399744 0.067516 0.252062 H\n0.100256 0.932484 0.752062 H\n0.866561 0.193721 0.768029 H\n0.366561 0.306279 0.231971 H\n0.133439 0.693721 0.731972 H\n0.839409 0.030704 0.144766 H\n0.660591 0.969296 0.644766 H\n0.339409 0.469296 0.855234 H\n0.160591 0.530704 0.355234 H\n0.160258 0.024674 0.934818 H\n0.633439 0.806279 0.268029 H\n0.660258 0.475326 0.065183 H\n0.839742 0.524674 0.565183 H\n0.557070 0.027752 0.912151 H\n0.942930 0.972248 0.412151 H\n0.057070 0.472248 0.087849 H\n0.442930 0.527752 0.587849 H\n0.600256 0.567516 0.247938 H\n0.899744 0.432484 0.747938 H\n0.339742 0.975326 0.434817 H\n0.146403 0.738012 0.382539 C\n0.353597 0.261988 0.882540 C\n0.646403 0.761988 0.617461 C\n0.853597 0.238012 0.117461 C\n0.362120 0.173939 0.086099 C\n0.637880 0.673939 0.413901 C\n0.862120 0.326061 0.913901 C\n0.137880 0.826061 0.586100 C\n0.156148 0.605674 0.423167 N\n0.359372 0.234514 0.759317 N\n0.140628 0.765486 0.259316 N\n0.640628 0.734514 0.740684 N\n0.859372 0.265486 0.240684 N\n0.141062 0.941867 0.659686 N\n0.358938 0.058132 0.159686 N\n0.641062 0.558132 0.340314 N\n0.858938 0.441868 0.840314 N\n0.343852 0.394326 0.923167 N\n0.636780 0.801654 0.364131 N\n0.843852 0.105674 0.076833 N\n0.139967 0.850056 0.460834 N\n0.360033 0.149944 0.960834 N\n0.639967 0.649944 0.539166 N\n0.860033 0.350056 0.039166 N\n0.136780 0.698346 0.635870 N\n0.363220 0.301654 0.135869 N\n0.863220 0.198346 0.864131 N\n0.656148 0.894326 0.576833 N\n0.073822 0.693501 0.906627 O\n0.426178 0.306499 0.406627 O\n0.316507 0.473050 0.600751 O\n0.183493 0.526950 0.100750 O\n0.816507 0.026950 0.399250 O\n0.465306 0.028678 0.416312 O\n0.965305 0.471322 0.583689 O\n0.534694 0.528678 0.083689 O\n0.034694 0.971322 0.916312 O\n0.926178 0.193501 0.593373 O\n0.683493 0.973050 0.899250 O\n0.573822 0.806498 0.093373 O\n",
"nsites": 84,
"nelements": 5,
"elements": [
"B",
"H",
"C",
"N",
"O"
],
"chemical_system": "B-C-H-N-O",
"density": 1.5978148833664698,
"density_atomic": 0.12401083131699232,
"volume": 677.3601878797347,
"volume_molar": 4.856140948371199,
"formula_full": "B4 H40 C8 N20 O12",
"formula_reduced": "BH10C2N5O3",
"formula_anonymous": "AB2C3D5E10",
"energy_above_hull": 4.511779968253968,
"spacegroup": 19
},
{
"id": "jvasp-89538",
"created_at": "2022-09-04T14:36:02.030186Z",
"updated_at": "2022-09-04T14:36:02.030214Z",
"structure_string": "Hg2 H16 C4 Br6 N2\n1.0\n6.400658 0.000000 0.000000\n0.000000 6.729570 -0.780066\n0.000000 0.073447 10.163604\nHg H C Br N\n2 16 4 6 2\ndirect\n0.750000 0.570962 0.138210 Hg\n0.250000 0.429039 0.861789 Hg\n0.616984 0.979128 0.826122 H\n0.889523 0.155558 0.610161 H\n0.116984 0.020872 0.173877 H\n0.610477 0.155558 0.610161 H\n0.250000 0.232933 0.170780 H\n0.611076 0.780584 0.612687 H\n0.388925 0.219416 0.387312 H\n0.250000 0.964209 0.527552 H\n0.750000 0.767067 0.829219 H\n0.750000 0.035791 0.472447 H\n0.888925 0.780584 0.612687 H\n0.383016 0.020872 0.173877 H\n0.883016 0.979128 0.826122 H\n0.110477 0.844442 0.389838 H\n0.389523 0.844442 0.389838 H\n0.111075 0.219416 0.387312 H\n0.750000 0.065843 0.581095 C\n0.250000 0.934157 0.418905 C\n0.250000 0.129584 0.358706 C\n0.750000 0.870417 0.641293 C\n0.750000 0.432509 0.886648 Br\n0.750000 0.971109 0.131153 Br\n0.250000 0.567492 0.113351 Br\n0.750000 0.480005 0.372121 Br\n0.250000 0.519995 0.627878 Br\n0.250000 0.028891 0.868846 Br\n0.250000 0.097211 0.210075 N\n0.750000 0.902790 0.789924 N\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Hg",
"H",
"C",
"Br",
"N"
],
"chemical_system": "Br-C-H-Hg-N",
"density": 3.686749659318177,
"density_atomic": 0.06846962364443232,
"volume": 438.15050241537995,
"volume_molar": 8.795346665367127,
"formula_full": "Hg2 H16 C4 Br6 N2",
"formula_reduced": "HgH8C2Br3N",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 2.948548011,
"spacegroup": 11
},
{
"id": "jvasp-63014",
"created_at": "2022-09-04T14:36:05.406779Z",
"updated_at": "2022-09-04T14:36:05.406806Z",
"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842816 0.001983\n7.642957 0.000000 0.000000\n0.000000 -0.034316 -9.706679\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991971 0.393734 0.836443 Ca\n0.008028 0.893734 0.663558 Ca\n0.008029 0.606266 0.163558 Ca\n0.991972 0.106266 0.336443 Ca\n0.529274 0.732432 0.915928 Si\n0.470726 0.232431 0.584072 Si\n0.470726 0.267569 0.084072 Si\n0.529274 0.767569 0.415928 Si\n0.428438 0.911357 0.159021 B\n0.571563 0.411357 0.340979 B\n0.571562 0.088644 0.840979 B\n0.428438 0.588644 0.659021 B\n0.809998 0.535167 0.577346 H\n0.190002 0.035167 0.922654 H\n0.809999 0.964834 0.077346 H\n0.190002 0.464834 0.422654 H\n0.678278 0.335247 0.211213 O\n0.261002 0.413732 0.336695 O\n0.738999 0.913732 0.163305 O\n0.687371 0.588975 0.354286 O\n0.312629 0.088975 0.145715 O\n0.312629 0.411025 0.645715 O\n0.687371 0.911026 0.854286 O\n0.321723 0.835248 0.288787 O\n0.678277 0.164753 0.711213 O\n0.241707 0.095476 0.535992 O\n0.325932 0.697581 0.542353 O\n0.674068 0.197580 0.957648 O\n0.674069 0.302420 0.457648 O\n0.325932 0.802420 0.042353 O\n0.758293 0.904525 0.464009 O\n0.241707 0.404524 0.035991 O\n0.261001 0.086268 0.836695 O\n0.758293 0.595476 0.964009 O\n0.321723 0.664753 0.788787 O\n0.738999 0.586269 0.663305 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ca",
"Si",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-H-O-Si",
"density": 2.9576299620212554,
"density_atomic": 0.10020123559687784,
"volume": 359.2770067709796,
"volume_molar": 6.010046407239756,
"formula_full": "Ca4 Si4 B4 H4 O20",
"formula_reduced": "CaSiBHO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.564916567037037,
"spacegroup": 14
},
{
"id": "jvasp-86791",
"created_at": "2022-09-04T14:35:49.426951Z",
"updated_at": "2022-09-04T14:35:49.426969Z",
"structure_string": "Rb1 Cd1 Ag3 C6 N6\n1.0\n6.873339 0.000000 0.000000\n-3.436670 5.952486 -0.000000\n-0.000000 0.000000 8.486904\nRb Cd Ag C N\n1 1 3 6 6\ndirect\n0.333333 0.666667 0.000000 Rb\n0.000000 0.000000 0.000000 Cd\n0.508212 0.016423 0.500000 Ag\n0.508212 0.491789 0.500000 Ag\n0.983577 0.491789 0.500000 Ag\n0.986589 0.344168 0.291909 C\n0.357579 0.344168 0.708090 C\n0.986589 0.642422 0.708090 C\n0.655832 0.642422 0.291909 C\n0.655832 0.013411 0.708090 C\n0.357579 0.013411 0.291909 C\n0.990499 0.262458 0.172095 N\n0.737542 0.728041 0.172095 N\n0.737542 0.009502 0.827904 N\n0.271960 0.262458 0.827904 N\n0.271960 0.009502 0.172095 N\n0.990499 0.728041 0.827904 N\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Rb",
"Cd",
"Ag",
"C",
"N"
],
"chemical_system": "Ag-C-Cd-N-Rb",
"density": 3.2404045908559693,
"density_atomic": 0.048959106661584685,
"volume": 347.2285578555888,
"volume_molar": 12.300348537047995,
"formula_full": "Rb1 Cd1 Ag3 C6 N6",
"formula_reduced": "RbCdAg3(CN)6",
"formula_anonymous": "ABC3D6E6",
"energy_above_hull": 4.690198295882353,
"spacegroup": 149
},
{
"id": "jvasp-29183",
"created_at": "2022-09-04T14:35:47.829858Z",
"updated_at": "2022-09-04T14:35:47.829885Z",
"structure_string": "Te4 Mo3 W1 Se2 S2\n1.0\n3.401934 0.000000 0.000000\n-1.700966 2.946670 0.000344\n0.000000 0.004238 35.550331\nTe Mo W Se S\n4 3 1 2 2\ndirect\n0.333315 0.666633 0.335831 Te\n0.333165 0.666334 0.712352 Te\n0.333471 0.666946 0.230209 Te\n0.333328 0.666660 0.606772 Te\n0.333438 0.666878 0.089003 Mo\n0.666705 0.333414 0.282998 Mo\n0.666559 0.333119 0.659627 Mo\n0.333253 0.666510 0.471284 W\n0.666825 0.333652 0.042686 Se\n0.666693 0.333387 0.135418 Se\n0.666689 0.333378 0.428845 S\n0.666547 0.333096 0.513724 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.610663629884999,
"density_atomic": 0.033672876545687506,
"volume": 356.36991047433526,
"volume_molar": 17.88424802920871,
"formula_full": "Te4 Mo3 W1 Se2 S2",
"formula_reduced": "Te4Mo3W(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.636007125,
"spacegroup": 156
}
]
}