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=4344",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4342",
"results": [
{
"id": "jvasp-108852",
"created_at": "2022-09-04T14:38:20.605967Z",
"updated_at": "2022-09-04T14:38:20.605984Z",
"structure_string": "K2 Tl1 Au1 I6\n1.0\n7.303673 -0.000000 4.216778\n2.434558 6.885969 4.216778\n-0.000000 -0.000000 8.433555\nK Tl Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500001 Au\n0.740549 0.259451 0.259451 I\n0.259451 0.259451 0.740550 I\n0.259451 0.740549 0.740550 I\n0.259451 0.740549 0.259451 I\n0.740549 0.259451 0.740550 I\n0.740549 0.740549 0.259451 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"Au",
"I"
],
"chemical_system": "Au-I-K-Tl",
"density": 4.85841339726925,
"density_atomic": 0.02357669550028178,
"volume": 424.14765037282194,
"volume_molar": 25.542768535684,
"formula_full": "K2 Tl1 Au1 I6",
"formula_reduced": "K2TlAuI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-98303",
"created_at": "2022-09-04T14:36:04.924893Z",
"updated_at": "2022-09-04T14:36:04.924924Z",
"structure_string": "Sr2 H32 O20\n1.0\n6.187161 -0.016889 0.193262\n-0.015290 6.194082 0.167158\n0.337617 0.296977 11.087047\nSr H O\n2 32 20\ndirect\n-0.017523 -0.023593 0.496769 Sr\n0.039684 0.025512 0.011867 Sr\n-0.010859 0.413968 0.623839 H\n0.228952 0.333006 0.632494 H\n0.345608 0.682633 0.619171 H\n0.234902 0.811511 0.725383 H\n0.509708 -0.019159 0.633941 H\n0.584600 0.224132 0.628128 H\n0.304739 0.626383 0.104196 H\n0.747137 0.403487 0.104539 H\n0.805272 0.267250 0.223806 H\n0.581024 0.965646 0.153525 H\n0.636524 0.734088 0.102125 H\n0.277254 0.212804 0.227535 H\n0.412246 0.291624 0.106343 H\n0.675591 0.568747 0.619474 H\n0.831130 0.676390 0.713451 H\n0.065896 0.564479 0.155701 H\n0.719911 0.976997 0.777700 H\n0.670127 0.773638 0.878869 H\n0.041358 0.435937 0.354699 H\n0.269414 0.376630 0.407324 H\n0.797230 0.735328 0.283177 H\n0.604217 0.265462 0.405006 H\n0.559720 0.035863 0.353616 H\n0.270182 0.791802 0.286419 H\n0.709818 0.599913 0.402537 H\n0.380467 0.706028 0.405023 H\n0.977610 0.317742 0.795104 H\n0.785549 0.420800 0.884633 H\n0.091018 0.594677 0.877915 H\n0.336855 0.657642 0.888739 H\n0.496090 0.073983 0.885093 H\n0.432112 0.316922 0.889287 H\n0.368438 0.168454 0.883506 O\n0.170840 0.686953 0.147009 O\n0.643194 0.072424 0.637179 O\n0.279640 0.828817 0.636786 O\n0.074170 0.280909 0.642768 O\n0.828235 0.637921 0.629246 O\n0.748624 0.918179 0.860858 O\n0.871735 0.331679 0.146126 O\n0.189642 0.723743 0.873249 O\n0.558698 0.544124 0.914290 O\n0.319015 0.840338 0.364450 O\n0.678000 0.140924 0.363054 O\n0.844006 0.672214 0.361664 O\n0.141907 0.313595 0.366795 O\n0.537524 0.525612 0.050385 O\n0.469709 0.459427 0.594100 O\n0.485804 0.475733 0.458022 O\n0.701566 0.862344 0.142358 O\n0.939469 0.363765 0.878414 O\n0.342791 0.160419 0.150577 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 2.064928390090464,
"density_atomic": 0.12730397005185198,
"volume": 424.1815866229886,
"volume_molar": 4.730520782303278,
"formula_full": "Sr2 H32 O20",
"formula_reduced": "Sr(H8O5)2",
"formula_anonymous": "AB10C16",
"energy_above_hull": 3.028848196666667,
"spacegroup": 1
},
{
"id": "jvasp-99124",
"created_at": "2022-09-04T14:36:03.604202Z",
"updated_at": "2022-09-04T14:36:03.604222Z",
"structure_string": "Na8 Li10 B6 O18\n1.0\n6.960258 -0.014297 1.862215\n3.110794 6.226424 1.862215\n0.017359 0.010708 9.785186\nNa Li B O\n8 10 6 18\ndirect\n0.879131 0.363658 0.483775 Na\n0.222907 0.333562 0.785179 Na\n0.666438 0.777092 0.714823 Na\n0.636342 0.120869 0.016226 Na\n0.333562 0.222907 0.285179 Na\n0.777093 0.666438 0.214823 Na\n0.363658 0.879130 0.983775 Na\n0.120870 0.636342 0.516227 Na\n0.985809 0.923178 0.139674 Li\n0.297779 0.517126 0.011544 Li\n0.482874 0.702221 0.488458 Li\n0.076821 0.014192 0.360328 Li\n0.721251 0.278749 0.250001 Li\n0.702222 0.482873 0.988458 Li\n0.923179 0.985807 0.639674 Li\n0.278749 0.721250 0.750001 Li\n0.014192 0.076821 0.860328 Li\n0.517127 0.297778 0.511544 Li\n0.917562 0.747478 0.904494 B\n0.747479 0.917561 0.404494 B\n0.082438 0.252521 0.095508 B\n0.252521 0.082438 0.595508 B\n0.394225 0.605774 0.250001 B\n0.605775 0.394225 0.750001 B\n0.708623 0.001218 0.263416 O\n0.001218 0.708622 0.763416 O\n0.206048 0.793951 0.250001 O\n0.466260 0.478665 0.144827 O\n0.521334 0.533740 0.355175 O\n0.033780 0.790411 0.977259 O\n0.478666 0.466259 0.644827 O\n0.793952 0.206048 0.750001 O\n0.277689 0.249567 0.028729 O\n0.750433 0.722310 0.471272 O\n0.291378 -0.001218 0.736585 O\n0.209589 0.966219 0.522743 O\n-0.001218 0.291377 0.236585 O\n0.533740 0.521334 0.855175 O\n0.966220 0.209588 0.022743 O\n0.790411 0.033780 0.477258 O\n0.722311 0.750432 0.971272 O\n0.249568 0.277689 0.528729 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Na",
"Li",
"B",
"O"
],
"chemical_system": "B-Li-Na-O",
"density": 2.372791303925185,
"density_atomic": 0.09900468092961305,
"volume": 424.22236611074703,
"volume_molar": 6.082682862521839,
"formula_full": "Na8 Li10 B6 O18",
"formula_reduced": "Na4Li5(BO3)3",
"formula_anonymous": "A3B4C5D9",
"energy_above_hull": 2.048355488095238,
"spacegroup": 15
},
{
"id": "jvasp-56888",
"created_at": "2022-09-04T14:36:42.911528Z",
"updated_at": "2022-09-04T14:36:42.911548Z",
"structure_string": "Nd10 Si6\n1.0\n7.040133 -0.000000 -3.450237\n-1.690897 6.834057 -3.450237\n-0.026969 -0.034456 8.852704\nNd Si\n10 6\ndirect\n0.675930 0.175930 0.706222 Nd\n0.175930 0.030292 0.706223 Nd\n0.030293 0.530293 0.706223 Nd\n0.469707 0.324069 0.293776 Nd\n0.324069 0.824070 0.293776 Nd\n0.530292 0.675930 0.706222 Nd\n0.824069 0.969707 0.293776 Nd\n0.000000 0.000000 0.000000 Nd\n0.969706 0.469707 0.293776 Nd\n0.500000 0.500000 -0.000000 Nd\n0.116239 0.383761 -0.000000 Si\n0.616239 0.116239 -0.000000 Si\n0.383760 0.883761 -0.000000 Si\n0.883760 0.616239 -0.000001 Si\n0.250000 0.250000 0.499999 Si\n0.749999 0.750000 0.499999 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Nd",
"Si"
],
"chemical_system": "Nd-Si",
"density": 6.305235018073527,
"density_atomic": 0.037713313034711586,
"volume": 424.25336605334815,
"volume_molar": 15.968209301731674,
"formula_full": "Nd10 Si6",
"formula_reduced": "Nd5Si3",
"formula_anonymous": "A3B5",
"energy_above_hull": 2.4873466625,
"spacegroup": 140
},
{
"id": "jvasp-87122",
"created_at": "2022-09-04T14:36:01.146469Z",
"updated_at": "2022-09-04T14:36:01.146484Z",
"structure_string": "Ba6 Na2 N2\n1.0\n8.401882 0.000000 -0.000000\n-4.200942 7.276244 0.000000\n-0.000000 0.000000 6.939819\nBa Na N\n6 2 2\ndirect\n0.854329 0.708657 0.250000 Ba\n0.708657 0.854329 0.750000 Ba\n0.854329 0.145671 0.250000 Ba\n0.145671 0.854329 0.750000 Ba\n0.145671 0.291342 0.750000 Ba\n0.291342 0.145671 0.250000 Ba\n0.666667 0.333333 0.750000 Na\n0.333333 0.666667 0.250000 Na\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Na",
"N"
],
"chemical_system": "Ba-N-Na",
"density": 3.5145656913165775,
"density_atomic": 0.02357045816199958,
"volume": 424.2598905490117,
"volume_molar": 25.549527797083417,
"formula_full": "Ba6 Na2 N2",
"formula_reduced": "Ba3NaN",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.7214760319999999,
"spacegroup": 194
},
{
"id": "jvasp-91416",
"created_at": "2022-09-04T14:36:17.267027Z",
"updated_at": "2022-09-04T14:36:17.267050Z",
"structure_string": "Mn16 O24\n1.0\n7.729958 0.000000 -2.732953\n-3.864980 6.694341 -2.732953\n-0.000000 -0.000000 8.198860\nMn O\n16 24\ndirect\n0.500000 0.500000 0.500000 Mn\n0.965466 0.250000 0.215466 Mn\n0.750000 0.284535 0.534535 Mn\n0.284535 0.534535 0.750000 Mn\n0.250000 0.215465 0.965466 Mn\n0.534535 0.750000 0.284535 Mn\n0.034535 0.750000 0.784535 Mn\n0.250000 0.715465 0.465466 Mn\n0.215465 0.965465 0.250000 Mn\n0.715465 0.465465 0.250000 Mn\n0.750000 0.784535 0.034535 Mn\n0.465465 0.250000 0.715466 Mn\n-0.000000 0.500000 0.000000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.784535 0.034535 0.750000 Mn\n0.015975 0.954794 0.727491 O\n0.288484 0.772509 0.727304 O\n0.484025 0.211516 0.938819 O\n0.954794 0.727490 0.015975 O\n0.772697 0.545206 0.561181 O\n0.211516 0.938819 0.484026 O\n0.545206 0.561181 0.772697 O\n0.727491 0.015975 0.954794 O\n0.561181 0.772696 0.545207 O\n0.727304 0.288484 0.772510 O\n0.061181 0.515975 0.788484 O\n0.515975 0.788484 0.061181 O\n0.272510 0.984025 0.045206 O\n0.227303 0.454794 0.438819 O\n0.454794 0.438819 0.227304 O\n0.788485 0.061181 0.515975 O\n0.272697 0.711516 0.227491 O\n0.045206 0.272510 0.984025 O\n0.772510 0.727303 0.288485 O\n0.711516 0.227490 0.272697 O\n0.984025 0.045206 0.272510 O\n0.438819 0.227303 0.454794 O\n0.227490 0.272697 0.711516 O\n0.938819 0.484025 0.211516 O\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.943244127443794,
"density_atomic": 0.09428043019796768,
"volume": 424.26620154372443,
"volume_molar": 6.387476963517095,
"formula_full": "Mn16 O24",
"formula_reduced": "Mn2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.991132996551724,
"spacegroup": 206
},
{
"id": "jvasp-97849",
"created_at": "2022-09-04T14:36:13.323428Z",
"updated_at": "2022-09-04T14:36:13.323462Z",
"structure_string": "Na8 Li12 Co4 O16\n1.0\n6.533595 0.000000 0.000000\n0.000000 7.935490 0.000000\n0.000000 0.000000 8.183640\nNa Li Co O\n8 12 4 16\ndirect\n0.755593 0.000000 0.500000 Na\n0.000000 0.257216 0.749962 Na\n0.000000 0.742784 0.250038 Na\n0.500000 0.757216 0.750038 Na\n0.500000 0.242784 0.249962 Na\n0.744408 0.500000 0.000000 Na\n0.255593 0.500000 0.000000 Na\n0.244408 0.000000 0.500000 Na\n0.245867 0.488367 0.350860 Li\n0.245867 0.511633 0.649140 Li\n0.745867 0.011633 0.850860 Li\n0.745867 0.988367 0.149140 Li\n0.754134 0.511633 0.649140 Li\n0.254133 0.988367 0.149140 Li\n0.254133 0.011633 0.850860 Li\n0.000000 0.735561 0.593085 Li\n0.500000 0.764439 0.093085 Li\n0.500000 0.235561 0.906915 Li\n0.754134 0.488367 0.350860 Li\n0.000000 0.264439 0.406915 Li\n0.000000 0.773140 0.881836 Co\n0.500000 0.726860 0.381835 Co\n0.500000 0.273140 0.618165 Co\n0.000000 0.226860 0.118165 Co\n0.000000 0.046035 0.276392 O\n0.000000 0.953965 0.723608 O\n0.252082 0.304000 0.510888 O\n0.252082 0.696000 0.489112 O\n0.247919 0.804000 0.989112 O\n0.247919 0.196000 0.010888 O\n0.747919 0.696000 0.489112 O\n0.747919 0.304000 0.510888 O\n0.752082 0.196000 0.010888 O\n0.752082 0.804000 0.989112 O\n0.500000 0.941794 0.278796 O\n0.500000 0.058206 0.721204 O\n0.000000 0.441794 0.221204 O\n0.000000 0.558206 0.778796 O\n0.500000 0.453965 0.776392 O\n0.500000 0.546035 0.223608 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Na",
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-Na-O",
"density": 2.9701627741578824,
"density_atomic": 0.09427304088670191,
"volume": 424.299456385122,
"volume_molar": 6.387977626856713,
"formula_full": "Na8 Li12 Co4 O16",
"formula_reduced": "Na2Li3CoO4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 1.4559892900000002,
"spacegroup": 58
},
{
"id": "jvasp-4234",
"created_at": "2022-09-04T14:37:35.921783Z",
"updated_at": "2022-09-04T14:37:35.921803Z",
"structure_string": "Ru4 Br12\n1.0\n5.885764 0.000000 0.000000\n0.000000 6.451829 0.000000\n0.000000 0.000000 11.174192\nRu Br\n4 12\ndirect\n0.750004 0.250032 0.500000 Ru\n0.250005 0.749969 0.000000 Ru\n0.249995 0.250032 0.500000 Ru\n0.749995 0.749969 0.000000 Ru\n0.000000 0.934095 0.500000 Br\n0.500000 0.065905 0.000000 Br\n0.500000 0.565956 0.500000 Br\n0.000000 0.434045 0.000000 Br\n0.000000 0.407976 0.342021 Br\n0.500000 0.592025 0.157978 Br\n0.000000 0.407976 0.657978 Br\n0.500000 0.592025 0.842021 Br\n0.000000 0.907934 0.157969 Br\n0.500000 0.092066 0.342031 Br\n0.000000 0.907934 0.842031 Br\n0.500000 0.092066 0.657969 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ru",
"Br"
],
"chemical_system": "Br-Ru",
"density": 5.334379562720031,
"density_atomic": 0.03770666831589553,
"volume": 424.32812854099546,
"volume_molar": 15.9710232406328,
"formula_full": "Ru4 Br12",
"formula_reduced": "RuBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.98047320375,
"spacegroup": 193
},
{
"id": "jvasp-98869",
"created_at": "2022-09-04T14:36:16.944531Z",
"updated_at": "2022-09-04T14:36:16.944558Z",
"structure_string": "Ti8 Sn12\n1.0\n5.743740 -0.000027 -1.713446\n0.000060 7.047057 0.000127\n0.000070 0.000169 10.483863\nTi Sn\n8 12\ndirect\n0.081397 0.454264 0.161621 Ti\n0.587235 0.250368 0.673317 Ti\n0.913857 0.750340 0.326431 Ti\n0.413873 0.750386 0.326437 Ti\n0.581394 0.046472 0.161614 Ti\n0.087240 0.250370 0.673324 Ti\n0.919687 0.546473 0.838136 Ti\n0.419684 0.954265 0.838144 Ti\n0.270693 0.750340 0.040127 Sn\n0.776230 0.572931 0.551257 Sn\n0.730366 0.250411 0.959624 Sn\n0.379287 0.574368 0.757421 Sn\n0.121785 0.074359 0.242330 Sn\n0.879299 0.926386 0.757426 Sn\n0.276219 0.927783 0.551247 Sn\n0.724886 0.072922 0.448505 Sn\n0.230381 0.250355 0.959630 Sn\n0.224885 0.427791 0.448507 Sn\n0.770688 0.750391 0.040124 Sn\n0.621790 0.426367 0.242343 Sn\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Ti",
"Sn"
],
"chemical_system": "Sn-Ti",
"density": 7.072811315361236,
"density_atomic": 0.04713084614479745,
"volume": 424.35053974110974,
"volume_molar": 12.777493409514683,
"formula_full": "Ti8 Sn12",
"formula_reduced": "Ti2Sn3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.836508353333334,
"spacegroup": 64
},
{
"id": "jvasp-88321",
"created_at": "2022-09-04T14:35:52.280488Z",
"updated_at": "2022-09-04T14:35:52.280512Z",
"structure_string": "B4 H20 C4 S4 N8\n1.0\n9.098947 0.000000 0.000000\n0.000000 6.547418 -0.000000\n0.000000 0.000000 7.123603\nB H C S N\n4 20 4 4 8\ndirect\n0.733742 0.250000 0.819539 B\n0.233742 0.250000 0.680460 B\n0.266258 0.750000 0.180461 B\n0.766258 0.750000 0.319539 B\n0.158837 0.403955 0.675076 H\n0.658837 0.096045 0.824923 H\n0.841163 0.903955 0.324924 H\n0.341163 0.596045 0.175076 H\n0.341163 0.903955 0.175076 H\n0.158837 0.096045 0.675076 H\n0.658837 0.403955 0.824923 H\n0.390757 0.377317 0.882858 H\n0.890757 0.122683 0.617141 H\n0.841163 0.596045 0.324924 H\n0.109243 0.622683 0.382858 H\n0.609243 0.622683 0.117142 H\n0.109243 0.877317 0.382858 H\n0.390757 0.122683 0.882858 H\n0.890757 0.377317 0.617141 H\n0.745218 0.750000 0.011501 H\n0.245218 0.750000 0.488499 H\n0.254783 0.250000 0.988498 H\n0.754783 0.250000 0.511501 H\n0.609243 0.877317 0.117142 H\n0.558349 0.750000 0.587914 C\n0.058349 0.750000 0.912086 C\n0.941652 0.250000 0.087914 C\n0.441651 0.250000 0.412086 C\n0.071945 0.250000 0.240605 S\n0.571946 0.250000 0.259395 S\n0.928055 0.750000 0.759395 S\n0.428055 0.750000 0.740605 S\n0.175889 0.750000 0.372863 N\n0.846037 0.250000 0.976000 N\n0.346037 0.250000 0.523999 N\n0.153963 0.750000 0.024000 N\n0.653964 0.750000 0.476000 N\n0.824111 0.250000 0.627137 N\n0.324111 0.250000 0.872863 N\n0.675890 0.750000 0.127137 N\n",
"nsites": 40,
"nelements": 5,
"elements": [
"B",
"H",
"C",
"S",
"N"
],
"chemical_system": "B-C-H-N-S",
"density": 1.376365096954686,
"density_atomic": 0.09425384585678558,
"volume": 424.38586602373954,
"volume_molar": 6.389278554373652,
"formula_full": "B4 H20 C4 S4 N8",
"formula_reduced": "BH5CSN2",
"formula_anonymous": "ABCD2E5",
"energy_above_hull": 4.237868908333333,
"spacegroup": 62
},
{
"id": "jvasp-19100",
"created_at": "2022-09-04T14:37:03.321965Z",
"updated_at": "2022-09-04T14:37:03.321994Z",
"structure_string": "Rb8 C4 O12\n1.0\n0.000000 5.899613 0.162286\n10.220514 0.000000 0.000000\n0.000000 -0.964407 -7.065241\nRb C O\n8 4 12\ndirect\n0.265146 0.265166 0.030433 Rb\n0.734853 0.765166 0.469566 Rb\n0.734853 0.734834 0.969566 Rb\n0.265146 0.234834 0.530433 Rb\n0.240624 0.918050 0.208327 Rb\n0.759375 0.418051 0.291672 Rb\n0.759375 0.081949 0.791672 Rb\n0.240624 0.581949 0.708327 Rb\n0.754498 0.417373 0.749097 C\n0.754498 0.082627 0.249097 C\n0.245501 0.582627 0.250902 C\n0.245501 0.917373 0.750902 C\n0.735140 0.538003 0.688930 O\n0.068362 0.848487 0.779839 O\n0.931637 0.348487 0.720160 O\n0.931637 0.151513 0.220160 O\n0.068362 0.651512 0.279839 O\n0.402662 0.865907 0.665228 O\n0.402663 0.634093 0.165228 O\n0.597336 0.134093 0.334771 O\n0.597336 0.365907 0.834771 O\n0.264859 0.461997 0.311070 O\n0.735140 0.961996 0.188930 O\n0.264859 0.038003 0.811070 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"C",
"O"
],
"chemical_system": "C-O-Rb",
"density": 3.6143253540514286,
"density_atomic": 0.05654858905595863,
"volume": 424.4137723091621,
"volume_molar": 10.649497822201518,
"formula_full": "Rb8 C4 O12",
"formula_reduced": "Rb2CO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.79296175,
"spacegroup": 14
},
{
"id": "jvasp-99281",
"created_at": "2022-09-04T14:38:13.856848Z",
"updated_at": "2022-09-04T14:38:13.856870Z",
"structure_string": "Rb8 C4 O12\n1.0\n6.038505 0.000000 0.000000\n-0.000000 6.990549 0.000000\n0.000000 0.000000 10.054353\nRb C O\n8 4 12\ndirect\n0.750001 0.763995 0.914330 Rb\n0.250000 0.736006 0.414330 Rb\n0.250000 0.562083 0.749697 Rb\n0.750001 0.263995 0.585669 Rb\n0.750001 0.937917 0.249697 Rb\n0.250000 0.062083 0.750303 Rb\n0.250000 0.236005 0.085669 Rb\n0.750001 0.437917 0.250303 Rb\n0.250000 0.724883 0.082214 C\n0.750001 0.275117 0.917786 C\n0.750001 0.775117 0.582214 C\n0.250000 0.224883 0.417786 C\n0.436342 0.674037 0.137125 O\n0.936342 0.325963 0.862875 O\n0.063659 0.174037 0.362875 O\n0.063659 0.674037 0.137125 O\n0.563659 0.825963 0.637125 O\n0.750001 0.174630 0.026935 O\n0.250000 0.825371 0.973065 O\n0.936342 0.825963 0.637125 O\n0.750001 0.674630 0.473065 O\n0.563659 0.325963 0.862875 O\n0.250000 0.325371 0.526935 O\n0.436342 0.174037 0.362875 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"C",
"O"
],
"chemical_system": "C-O-Rb",
"density": 3.6142806224077813,
"density_atomic": 0.05654788919883825,
"volume": 424.4190250074457,
"volume_molar": 10.64962962423666,
"formula_full": "Rb8 C4 O12",
"formula_reduced": "Rb2CO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.7935134166666664,
"spacegroup": 62
}
]
}