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=4606",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4604",
"results": [
{
"id": "jvasp-117015",
"created_at": "2022-09-04T14:38:49.190248Z",
"updated_at": "2022-09-04T14:38:49.190281Z",
"structure_string": "Na6 B4 P2 O10 F8\n1.0\n6.940446 0.000893 0.000000\n-3.695055 5.875063 0.000000\n-0.000000 -0.000000 9.012267\nNa B P O F\n6 4 2 10 8\ndirect\n0.185701 0.814298 -0.000000 Na\n0.185701 0.814298 0.500000 Na\n0.806593 0.193407 -0.000000 Na\n0.806593 0.193407 0.500000 Na\n0.485444 0.514555 -0.000000 Na\n0.485444 0.514555 0.500000 Na\n0.832423 0.619055 0.750000 B\n0.380945 0.167576 0.250000 B\n0.945520 0.917725 0.250000 B\n0.082274 0.054480 0.750000 B\n0.615143 0.856285 0.750000 P\n0.143714 0.384856 0.250000 P\n0.508082 0.860185 0.894403 O\n0.139814 0.491917 0.394403 O\n0.508082 0.860185 0.605597 O\n0.139814 0.491917 0.105597 O\n0.628467 0.632967 0.750000 O\n0.874986 0.065449 0.750000 O\n0.934550 0.125014 0.250000 O\n0.042326 0.830764 0.750000 O\n0.169234 0.957673 0.250000 O\n0.367032 0.371532 0.250000 O\n0.513686 0.184411 0.379049 F\n0.823352 0.786573 0.119942 F\n0.213426 0.176648 0.880058 F\n0.823352 0.786573 0.380058 F\n0.213426 0.176648 0.619943 F\n0.513686 0.184411 0.120951 F\n0.815588 0.486314 0.879049 F\n0.815588 0.486314 0.620951 F\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Na",
"B",
"P",
"O",
"F"
],
"chemical_system": "B-F-Na-O-P",
"density": 2.508188176042139,
"density_atomic": 0.08163044317942092,
"volume": 367.50994888097114,
"volume_molar": 7.3773221428720435,
"formula_full": "Na6 B4 P2 O10 F8",
"formula_reduced": "Na3B2PO5F4",
"formula_anonymous": "AB2C3D4E5",
"energy_above_hull": 1.581472419777778,
"spacegroup": 40
},
{
"id": "jvasp-122427",
"created_at": "2022-09-04T14:38:54.116514Z",
"updated_at": "2022-09-04T14:38:54.116533Z",
"structure_string": "Na4 B2 S2 O8 F6\n1.0\n5.985551 0.010846 2.658626\n0.456879 6.525221 0.629888\n0.030266 -0.018113 6.584028\nNa B S O F\n4 2 2 8 6\ndirect\n0.730066 0.850746 0.392774 Na\n0.269934 0.149255 0.607227 Na\n0.729914 0.407488 0.762207 Na\n0.270087 0.592513 0.237794 Na\n0.829780 0.882628 0.863441 B\n0.170220 0.117373 0.136560 B\n0.226049 0.644810 0.728534 S\n0.773951 0.355191 0.271467 S\n0.648854 0.206037 0.449614 O\n0.351147 0.793964 0.550387 O\n0.858465 0.507190 0.363487 O\n0.141535 0.492811 0.636514 O\n0.350112 0.552242 0.858373 O\n0.981837 0.234510 0.097826 O\n0.018164 0.765491 0.902175 O\n0.649889 0.447759 0.141628 O\n0.662019 0.917899 0.075581 F\n0.751091 0.774160 0.737349 F\n0.248909 0.225841 0.262652 F\n0.900391 0.073846 0.743719 F\n0.099609 0.926155 0.256282 F\n0.337982 0.082102 0.924420 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"B",
"S",
"O",
"F"
],
"chemical_system": "B-F-Na-O-S",
"density": 2.7155499939841765,
"density_atomic": 0.08572269879174722,
"volume": 256.6414766460666,
"volume_molar": 7.025141350985754,
"formula_full": "Na4 B2 S2 O8 F6",
"formula_reduced": "Na2BSO4F3",
"formula_anonymous": "ABC2D3E4",
"energy_above_hull": 1.3424568573484852,
"spacegroup": 2
},
{
"id": "jvasp-25841",
"created_at": "2022-09-04T14:38:29.752310Z",
"updated_at": "2022-09-04T14:38:29.752336Z",
"structure_string": "Na6 Be2 Al2 Si4 O16\n1.0\n6.886050 0.000000 0.000000\n0.000000 7.230920 0.000000\n0.000000 0.000000 7.333615\nNa Be Al Si O\n6 2 2 4 16\ndirect\n0.249708 0.285716 0.321835 Na\n0.750292 0.714284 0.321835 Na\n0.500000 0.000000 0.033211 Na\n0.000000 0.500000 0.966788 Na\n0.749708 0.214284 0.678165 Na\n0.250292 0.785716 0.678165 Na\n0.000000 0.500000 0.568603 Be\n0.500000 0.000000 0.431397 Be\n0.000000 0.000000 0.037125 Al\n0.500000 0.500000 0.962875 Al\n0.736880 0.803505 0.739383 Si\n0.236880 0.696495 0.260616 Si\n0.763120 0.303505 0.260616 Si\n0.263120 0.196495 0.739383 Si\n0.079845 0.335046 0.707732 O\n0.579845 0.164954 0.292267 O\n0.295911 0.538874 0.103500 O\n0.823714 0.416640 0.443735 O\n0.543349 0.697820 0.826811 O\n0.676286 0.916640 0.556264 O\n0.323714 0.083360 0.556264 O\n0.043349 0.802179 0.173188 O\n0.456651 0.302179 0.826811 O\n0.420155 0.835046 0.292267 O\n0.204089 0.038874 0.896500 O\n0.795911 0.961126 0.896500 O\n0.176286 0.583360 0.443735 O\n0.704089 0.461126 0.103500 O\n0.956651 0.197820 0.173188 O\n0.920155 0.664954 0.707732 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Na",
"Be",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Be-Na-O-Si",
"density": 2.6295973610959384,
"density_atomic": 0.08215602522214241,
"volume": 365.1588537649276,
"volume_molar": 7.330126723775499,
"formula_full": "Na6 Be2 Al2 Si4 O16",
"formula_reduced": "Na3BeAl(SiO4)2",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 2.0458454066666665,
"spacegroup": 18
},
{
"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-52803",
"created_at": "2022-09-04T14:36:15.259714Z",
"updated_at": "2022-09-04T14:36:15.259738Z",
"structure_string": "Na1 Ca1 Fe2 Si4 O12\n1.0\n5.150350 0.141722 1.228950\n1.030649 6.518486 0.633616\n-0.222107 0.085997 6.625530\nNa Ca Fe Si O\n1 1 2 4 12\ndirect\n0.250000 0.700300 0.299701 Na\n0.750000 0.304243 0.695758 Ca\n0.249999 0.087813 0.912187 Fe\n0.750000 0.900674 0.099327 Fe\n0.268815 0.196498 0.381480 Si\n0.231184 0.618521 0.803503 Si\n0.764948 0.382960 0.195789 Si\n0.735052 0.804212 0.617041 Si\n0.648705 0.972412 0.793769 O\n0.851294 0.206231 0.027588 O\n0.684628 0.615465 0.103195 O\n0.501202 0.663634 0.634790 O\n0.505329 0.332425 0.373006 O\n0.179493 0.110982 0.617302 O\n0.142350 0.798365 0.966437 O\n0.357649 0.033564 0.201635 O\n0.815372 0.896806 0.384536 O\n-0.005329 0.626995 0.667576 O\n0.320506 0.382698 0.889019 O\n0.998798 0.365210 0.336367 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Fe",
"Si",
"O"
],
"chemical_system": "Ca-Fe-Na-O-Si",
"density": 3.5666120449161407,
"density_atomic": 0.08966384016557795,
"volume": 223.05535835925554,
"volume_molar": 6.7163538265583975,
"formula_full": "Na1 Ca1 Fe2 Si4 O12",
"formula_reduced": "NaCaFe2(SiO3)4",
"formula_anonymous": "ABC2D4E12",
"energy_above_hull": 2.854053841,
"spacegroup": 5
},
{
"id": "jvasp-119163",
"created_at": "2022-09-04T14:38:51.770319Z",
"updated_at": "2022-09-04T14:38:51.770346Z",
"structure_string": "Na2 Ca2 Ga2 Si4 O14\n1.0\n7.745355 -0.000000 0.000000\n0.000000 5.069019 0.130716\n0.000000 -0.014432 7.775180\nNa Ca Ga Si O\n2 2 2 4 14\ndirect\n0.661972 0.494153 0.930045 Na\n0.161972 0.505847 0.069956 Na\n0.343322 0.491175 0.595134 Ca\n0.843322 0.508826 0.404866 Ca\n0.499653 0.000942 0.253704 Ga\n-0.000347 0.999058 0.746297 Ga\n0.859646 0.047949 0.112351 Si\n0.359646 0.952051 0.887650 Si\n0.141740 0.057914 0.393677 Si\n0.641739 0.942087 0.606324 Si\n0.828099 0.796731 0.647759 O\n0.328099 0.203269 0.352241 O\n0.184750 0.795870 0.819323 O\n0.684750 0.204131 0.180677 O\n0.902198 0.182362 0.922728 O\n0.402198 0.817639 0.077273 O\n0.352195 0.266230 0.870360 O\n0.573839 0.779145 0.434446 O\n0.642037 0.255867 0.583761 O\n0.142038 0.744133 0.416239 O\n0.510544 0.823178 0.758972 O\n0.852195 0.733771 0.129641 O\n0.073839 0.220855 0.565554 O\n0.010545 0.176823 0.241028 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Ga",
"Si",
"O"
],
"chemical_system": "Ca-Ga-Na-O-Si",
"density": 3.274069375012503,
"density_atomic": 0.07861669013999925,
"volume": 305.2786877348972,
"volume_molar": 7.660130119031818,
"formula_full": "Na2 Ca2 Ga2 Si4 O14",
"formula_reduced": "NaCaGaSi2O7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 1.9599061204166663,
"spacegroup": 4
},
{
"id": "jvasp-87239",
"created_at": "2022-09-04T14:35:43.996132Z",
"updated_at": "2022-09-04T14:35:43.996150Z",
"structure_string": "Na16 Ca8 P8 O32 F8\n1.0\n7.111886 0.000000 0.000000\n0.000000 9.770519 -4.256343\n0.000000 0.006739 13.351551\nNa Ca P O F\n16 8 8 32 8\ndirect\n0.745957 0.177437 0.090764 Na\n0.254043 0.822563 0.909237 Na\n0.976777 0.453994 0.164569 Na\n0.023223 0.546006 0.835431 Na\n0.226209 0.910887 0.588221 Na\n0.980451 0.761676 0.330197 Na\n0.480451 0.738325 0.669804 Na\n0.523224 0.953994 0.164569 Na\n0.273791 0.410887 0.588221 Na\n0.245957 0.322563 0.909237 Na\n0.754044 0.677437 0.090764 Na\n0.519550 0.261675 0.330197 Na\n0.773792 0.089113 0.411779 Na\n0.019549 0.238325 0.669803 Na\n0.726209 0.589113 0.411779 Na\n0.476777 0.046006 0.835431 Na\n0.493025 0.550060 0.827343 Ca\n0.012426 0.697567 0.668799 Ca\n0.006976 0.050060 0.827343 Ca\n0.487575 0.197567 0.668799 Ca\n0.993025 0.949941 0.172657 Ca\n0.506976 0.449941 0.172657 Ca\n0.987575 0.302433 0.331201 Ca\n0.512426 0.802433 0.331202 Ca\n0.258337 0.059188 0.413681 P\n0.744759 0.355157 0.915888 P\n0.758337 0.440812 0.586319 P\n0.755242 0.855157 0.915889 P\n0.255242 0.644844 0.084112 P\n0.241664 0.559188 0.413681 P\n0.741664 0.940812 0.586320 P\n0.244758 0.144844 0.084112 P\n0.248757 0.997896 0.083966 O\n0.923915 0.276328 0.858112 O\n0.722575 0.585165 0.585559 O\n0.900879 0.903698 0.650276 O\n0.235147 0.132633 0.964492 O\n0.099121 0.096302 0.349724 O\n0.433081 0.720639 0.147452 O\n0.251243 0.497896 0.083966 O\n0.264853 0.632633 0.964493 O\n0.277426 0.414835 0.414441 O\n0.735148 0.367367 0.035508 O\n0.748757 0.502104 0.916034 O\n0.751244 0.002104 0.916034 O\n0.423915 0.223672 0.141888 O\n0.266407 0.169200 0.532056 O\n0.599121 0.403698 0.650276 O\n0.076085 0.723672 0.141888 O\n0.764853 0.867367 0.035508 O\n0.733594 0.830800 0.467944 O\n0.549454 0.950995 0.644843 O\n0.450546 0.049005 0.355157 O\n0.777426 0.085165 0.585559 O\n0.049454 0.549005 0.355157 O\n0.233594 0.669200 0.532056 O\n0.576086 0.776328 0.858112 O\n0.950547 0.450995 0.644843 O\n0.400879 0.596302 0.349724 O\n0.066919 0.220639 0.147452 O\n0.766407 0.330800 0.467944 O\n0.222574 0.914835 0.414441 O\n0.566919 0.279361 0.852549 O\n0.933081 0.779361 0.852549 O\n0.730076 0.380095 0.264592 F\n0.771614 0.119792 0.240675 F\n0.230077 0.119905 0.735408 F\n0.269924 0.619905 0.735408 F\n0.271614 0.380208 0.759325 F\n0.769925 0.880095 0.264593 F\n0.728387 0.619792 0.240675 F\n0.228386 0.880208 0.759325 F\n",
"nsites": 72,
"nelements": 5,
"elements": [
"Na",
"Ca",
"P",
"O",
"F"
],
"chemical_system": "Ca-F-Na-O-P",
"density": 2.863510268422096,
"density_atomic": 0.07758948617191673,
"volume": 927.9607786094629,
"volume_molar": 7.761542261868588,
"formula_full": "Na16 Ca8 P8 O32 F8",
"formula_reduced": "Na2CaPO4F",
"formula_anonymous": "ABCD2E4",
"energy_above_hull": 1.0800086891666665,
"spacegroup": 14
},
{
"id": "jvasp-51399",
"created_at": "2022-09-04T14:36:48.806576Z",
"updated_at": "2022-09-04T14:36:48.806607Z",
"structure_string": "Na2 Ca2 Si2 H2 O8\n1.0\n0.000000 5.436955 -0.023080\n7.060032 0.000000 0.000000\n0.000000 -2.453215 -4.906570\nNa Ca Si H O\n2 2 2 2 8\ndirect\n0.364169 0.765371 0.746998 Na\n0.635829 0.265371 0.253002 Na\n0.996474 0.514206 0.006604 Ca\n0.003524 0.014206 0.993396 Ca\n0.656022 0.754908 0.374207 Si\n0.343976 0.254909 0.625793 Si\n0.964523 -0.000461 0.467610 H\n0.035475 0.499539 0.532390 H\n0.323358 0.763635 0.196851 O\n0.676640 0.263635 0.803149 O\n0.763638 0.761310 0.704848 O\n0.236360 0.261310 0.295152 O\n0.789250 0.572153 0.289323 O\n0.210748 0.072153 0.710677 O\n0.790648 0.951876 0.296242 O\n0.209350 0.451876 0.703757 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Si",
"H",
"O"
],
"chemical_system": "Ca-H-Na-O-Si",
"density": 2.7477953411489313,
"density_atomic": 0.08477324029856785,
"volume": 188.7388041750989,
"volume_molar": 7.103822785103258,
"formula_full": "Na2 Ca2 Si2 H2 O8",
"formula_reduced": "NaCaSiHO4",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 1.7437990025,
"spacegroup": 4
},
{
"id": "jvasp-59277",
"created_at": "2022-09-04T14:38:08.730139Z",
"updated_at": "2022-09-04T14:38:08.730167Z",
"structure_string": "Na2 Ca2 Ta2 Ti2 O12\n1.0\n0.000000 5.431481 -0.001247\n5.535907 0.000000 0.000000\n0.000000 -5.420338 -7.741592\nNa Ca Ta Ti O\n2 2 2 2 12\ndirect\n0.752750 0.275682 0.749849 Na\n0.752750 0.724319 0.249849 Na\n0.237537 0.799179 0.749294 Ca\n0.237537 0.200822 0.249294 Ca\n0.493222 0.258384 -0.001045 Ta\n0.493222 0.741616 0.498954 Ta\n0.993328 0.254090 0.501452 Ti\n0.993328 0.745911 0.001453 Ti\n0.842871 0.457843 0.043027 O\n0.176949 0.962894 0.462803 O\n0.755665 0.964015 0.037831 O\n0.322764 0.231073 0.748340 O\n0.670698 0.268777 0.251601 O\n0.755664 0.035986 0.537831 O\n0.842870 0.542158 0.543027 O\n0.176949 0.037106 0.962803 O\n0.254218 0.451625 0.456848 O\n0.322764 0.768928 0.248340 O\n0.254218 0.548375 0.956848 O\n0.670697 0.731223 0.751601 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Ta",
"Ti",
"O"
],
"chemical_system": "Ca-Na-O-Ta-Ti",
"density": 5.533096949839707,
"density_atomic": 0.08590587386462006,
"volume": 232.81295096908278,
"volume_molar": 7.010161807433975,
"formula_full": "Na2 Ca2 Ta2 Ti2 O12",
"formula_reduced": "NaCaTaTiO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.545641795333333,
"spacegroup": 7
},
{
"id": "jvasp-89396",
"created_at": "2022-09-04T14:36:09.417841Z",
"updated_at": "2022-09-04T14:36:09.417871Z",
"structure_string": "Na4 Cd4 H12 C12 O24\n1.0\n6.389318 -0.000000 0.000000\n0.000000 7.191735 0.000000\n0.000000 0.000000 14.499252\nNa Cd H C O\n4 4 12 12 24\ndirect\n0.750000 0.500000 0.279898 Na\n0.250000 0.500000 0.220102 Na\n0.750000 0.500000 0.779898 Na\n0.250000 0.500000 0.720102 Na\n0.750000 0.000000 0.427894 Cd\n0.250000 0.000000 0.572105 Cd\n0.750000 0.000000 0.927894 Cd\n0.250000 0.000000 0.072106 Cd\n0.693908 0.328096 0.073436 H\n0.193907 0.328096 0.926564 H\n0.306093 0.671904 0.926564 H\n0.806093 0.671904 0.073436 H\n0.500000 0.055852 0.750000 H\n0.693908 0.671904 0.573436 H\n0.193907 0.671904 0.426564 H\n0.500000 0.944149 0.250000 H\n0.306093 0.328096 0.426564 H\n0.000000 0.055852 0.250000 H\n0.000000 0.944149 0.750000 H\n0.806093 0.328096 0.573436 H\n0.859386 0.706650 0.589205 C\n0.140614 0.706650 0.910795 C\n0.140614 0.293350 0.410795 C\n0.359386 0.706650 0.410795 C\n0.000000 0.901145 0.250000 C\n0.359386 0.293350 0.910795 C\n0.500000 0.098856 0.250000 C\n0.640614 0.293350 0.589205 C\n0.500000 0.901145 0.750000 C\n0.859386 0.293350 0.089205 C\n0.000000 0.098856 0.750000 C\n0.640614 0.706650 0.089205 C\n0.103645 0.817696 0.187779 O\n0.546412 0.380608 0.650628 O\n0.103645 0.182305 0.687778 O\n0.396355 0.182305 0.187779 O\n0.061628 0.839894 0.959020 O\n0.953588 0.380608 0.150628 O\n0.546412 0.619393 0.150628 O\n0.896355 0.817696 0.312221 O\n0.938372 0.160107 0.040980 O\n0.561628 0.160107 0.540980 O\n0.953588 0.619393 0.650628 O\n0.896355 0.182305 0.812221 O\n0.561628 0.839894 0.040980 O\n0.603645 0.817696 0.812221 O\n0.438372 0.839894 0.459020 O\n0.938372 0.839894 0.540980 O\n0.046412 0.619393 0.849371 O\n0.061628 0.160107 0.459020 O\n0.603645 0.182305 0.312221 O\n0.438372 0.160107 0.959020 O\n0.453588 0.380608 0.849371 O\n0.046412 0.380608 0.349371 O\n0.396355 0.817696 0.687778 O\n0.453588 0.619393 0.349371 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Na",
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-Na-O",
"density": 2.6962940750050692,
"density_atomic": 0.08405319938634272,
"volume": 666.2447165467338,
"volume_molar": 7.164677613662021,
"formula_full": "Na4 Cd4 H12 C12 O24",
"formula_reduced": "NaCdH3(CO2)3",
"formula_anonymous": "ABC3D3E6",
"energy_above_hull": 3.2447935535714283,
"spacegroup": 54
},
{
"id": "jvasp-46827",
"created_at": "2022-09-04T14:38:09.824345Z",
"updated_at": "2022-09-04T14:38:09.824372Z",
"structure_string": "Na6 Cd2 P2 C2 O14\n1.0\n0.000000 5.181994 0.009687\n6.867283 0.000000 0.000000\n0.000000 -0.042858 -9.176255\nNa Cd P C O\n6 2 2 2 14\ndirect\n0.760236 0.250000 0.083227 Na\n0.241568 -0.002531 0.252228 Na\n0.241568 0.502531 0.252228 Na\n0.758431 0.497469 0.747772 Na\n0.758431 0.002531 0.747772 Na\n0.239763 0.750000 0.916773 Na\n0.767814 0.750000 0.370858 Cd\n0.232185 0.250000 0.629141 Cd\n0.297632 0.750000 0.594677 P\n0.702367 0.250000 0.405322 P\n0.736668 0.750000 0.059653 C\n0.263331 0.250000 0.940346 C\n0.468047 0.250000 0.858207 O\n0.202429 0.929155 0.682723 O\n0.202429 0.570844 0.682723 O\n0.599153 0.750000 0.592549 O\n0.798284 0.250000 0.565832 O\n0.201715 0.750000 0.434167 O\n0.289200 0.250000 0.080944 O\n0.797570 0.429156 0.317276 O\n0.797570 0.070844 0.317276 O\n0.531952 0.750000 0.141792 O\n0.965071 0.750000 0.118779 O\n0.034928 0.250000 0.881220 O\n0.400846 0.250000 0.407450 O\n0.710799 0.750000 0.919055 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Na",
"Cd",
"P",
"C",
"O"
],
"chemical_system": "C-Cd-Na-O-P",
"density": 3.420902055343902,
"density_atomic": 0.07962140103545762,
"volume": 326.5453717452357,
"volume_molar": 7.563469973755139,
"formula_full": "Na6 Cd2 P2 C2 O14",
"formula_reduced": "Na3CdPCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 1.911464365384617,
"spacegroup": 11
},
{
"id": "jvasp-119699",
"created_at": "2022-09-04T14:38:50.401843Z",
"updated_at": "2022-09-04T14:38:50.401876Z",
"structure_string": "Na6 Co2 B2 As2 O14\n1.0\n9.039455 0.008717 0.315154\n-0.004534 6.441847 -0.013936\n0.041840 0.011684 5.233123\nNa Co B As O\n6 2 2 2 14\ndirect\n0.075392 0.250297 0.768275 Na\n0.250357 0.005042 0.247895 Na\n0.250560 0.494973 0.247916 Na\n0.749447 0.505032 0.752087 Na\n0.749650 -0.005034 0.752103 Na\n0.924611 0.749702 0.231725 Na\n0.326775 0.750020 0.784109 Co\n0.673223 0.249975 0.215895 Co\n0.930940 0.250056 0.279426 B\n0.069061 0.749952 0.720571 B\n0.427860 0.249953 0.715442 As\n0.572141 0.750042 0.284559 As\n0.818547 0.250041 0.471326 O\n0.694573 0.950881 0.206126 O\n0.694474 0.549084 0.205925 O\n0.528755 0.749981 0.612576 O\n0.587353 0.249856 0.876879 O\n0.412649 0.750140 0.123117 O\n0.076605 0.250183 0.315963 O\n0.305525 0.450916 0.794058 O\n0.305429 0.049113 0.793874 O\n0.181453 0.749966 0.528671 O\n0.134316 0.750012 0.958882 O\n0.865679 0.249986 0.041119 O\n0.471245 0.250004 0.387425 O\n0.923396 0.749830 0.684027 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Na",
"Co",
"B",
"As",
"O"
],
"chemical_system": "As-B-Co-Na-O",
"density": 3.5498485473731023,
"density_atomic": 0.08534507531341472,
"volume": 304.64558036324405,
"volume_molar": 7.056225257151337,
"formula_full": "Na6 Co2 B2 As2 O14",
"formula_reduced": "Na3CoBAsO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.2076197487179487,
"spacegroup": 11
}
]
}