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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=25",
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"results": [
{
"id": "oqmd-692264",
"created_at": "2022-09-04T15:17:43.844972Z",
"updated_at": "2022-09-04T15:17:43.845002Z",
"structure_string": "Yb4 Tc4 O11\n1.0\n5.245910 -0.046371 0.004399\n-0.049649 5.546942 -0.014966\n0.006407 -0.020645 7.598627\nO Tc Yb\n11 4 4\ndirect\n0.810329 0.798919 0.051524 O\n0.416633 0.986252 0.248009 O\n0.073637 0.472271 0.248647 O\n0.683260 0.303987 0.437269 O\n0.800929 0.797482 0.448705 O\n0.298422 0.703947 0.550568 O\n0.185400 0.195229 0.552576 O\n0.603057 0.030230 0.750188 O\n0.902843 0.512404 0.751612 O\n0.212156 0.206928 0.952258 O\n0.317114 0.694172 0.954185 O\n0.524144 0.018830 0.000276 Tc\n0.991506 0.497651 0.499222 Tc\n0.501770 0.002248 0.501502 Tc\n0.985043 0.483732 0.999835 Tc\n0.508436 0.573920 0.237942 Yb\n0.995234 0.052685 0.258684 Yb\n0.466227 0.441303 0.742211 Yb\n0.031213 0.927814 0.762128 Yb\n",
"nsites": 19,
"nelements": 3,
"elements": [
"O",
"Tc",
"Yb"
],
"chemical_system": "O-Tc-Yb",
"density": 9.464567262921342,
"density_atomic": 0.08593732873160097,
"volume": 221.09134971300662,
"volume_molar": 7.007595941000587,
"formula_full": "Yb4 Tc4 O11",
"formula_reduced": "Yb4Tc4O11",
"formula_anonymous": "A4B4C11",
"formation_energy": -2.36954367392981,
"spacegroup": 1
},
{
"id": "oqmd-692246",
"created_at": "2022-09-04T15:17:43.296988Z",
"updated_at": "2022-09-04T15:17:43.297026Z",
"structure_string": "Yb4 Os4 O11\n1.0\n5.184856 -0.069970 -0.002492\n-0.077769 5.519024 -0.029712\n-0.003204 -0.038601 7.598885\nO Os Yb\n11 4 4\ndirect\n0.815875 0.796630 0.047540 O\n0.089708 0.466709 0.248535 O\n0.416109 0.981861 0.248648 O\n0.678190 0.308654 0.435602 O\n0.805281 0.798088 0.443597 O\n0.303392 0.699327 0.548842 O\n0.179425 0.191296 0.557294 O\n0.611923 0.037824 0.748781 O\n0.884523 0.516004 0.749866 O\n0.320396 0.702103 0.953198 O\n0.208890 0.206425 0.960795 O\n0.966172 0.471468 0.001086 Os\n0.535654 0.031412 0.001396 Os\n0.991096 0.497566 0.499497 Os\n0.504516 0.001571 0.502065 Os\n0.511664 0.572204 0.228682 Yb\n0.997648 0.054611 0.254799 Yb\n0.457647 0.440583 0.748303 Yb\n0.035910 0.922293 0.767683 Yb\n",
"nsites": 19,
"nelements": 3,
"elements": [
"O",
"Os",
"Yb"
],
"chemical_system": "O-Os-Yb",
"density": 12.443297513087717,
"density_atomic": 0.08739756564664897,
"volume": 217.39735951934384,
"volume_molar": 6.890513157251656,
"formula_full": "Yb4 Os4 O11",
"formula_reduced": "Yb4Os4O11",
"formula_anonymous": "A4B4C11",
"formation_energy": -2.06761559498244,
"spacegroup": 1
},
{
"id": "oqmd-11745",
"created_at": "2022-09-04T15:17:42.993190Z",
"updated_at": "2022-09-04T15:17:42.993216Z",
"structure_string": "Na9 Zr1 P4 Cl1 O16\n1.0\n9.071931 0.025348 -0.031813\n-3.280261 8.399883 -0.006350\n-0.126994 -0.117174 5.322778\nCl Na O P Zr\n1 9 16 4 1\ndirect\n0.506005 0.498219 0.995372 Cl\n0.177707 0.432735 0.035423 Na\n0.590978 0.819900 0.080424 Na\n0.598037 0.356242 0.462476 Na\n0.229541 0.908792 0.478830 Na\n0.008378 0.485357 0.498221 Na\n0.413854 0.637764 0.552660 Na\n0.629269 0.018791 0.579780 Na\n0.840220 0.555297 0.947274 Na\n0.423320 0.172419 0.952843 Na\n0.203572 0.931730 0.021273 O\n0.906085 0.346695 0.136665 O\n0.874261 0.792316 0.185592 O\n0.626236 0.149960 0.224739 O\n0.312153 0.741691 0.226686 O\n0.078165 0.125534 0.316647 O\n0.225516 0.406905 0.462726 O\n0.668354 0.788842 0.494601 O\n0.804787 0.582546 0.511515 O\n0.348501 0.188760 0.512654 O\n0.954189 0.865471 0.645896 O\n0.130993 0.197921 0.784698 O\n0.695239 0.259011 0.792168 O\n0.404982 0.856971 0.796792 O\n0.129348 0.648304 0.838651 O\n0.801289 0.056939 0.961555 O\n0.758915 0.210140 0.035455 P\n0.819604 0.753631 0.464481 P\n0.201751 0.234563 0.515340 P\n0.262313 0.788201 0.969969 P\n0.001436 0.997351 0.985617 Zr\n",
"nsites": 31,
"nelements": 5,
"elements": [
"Cl",
"Na",
"O",
"P",
"Zr"
],
"chemical_system": "Cl-Na-O-P-Zr",
"density": 2.9180764854416417,
"density_atomic": 0.07635426915972973,
"volume": 406.0021835209945,
"volume_molar": 7.887104187196068,
"formula_full": "Na9 Zr1 P4 Cl1 O16",
"formula_reduced": "Na9ZrP4ClO16",
"formula_anonymous": "ABC4D9E16",
"formation_energy": -2.61391253784464,
"spacegroup": 1
},
{
"id": "oqmd-692064",
"created_at": "2022-09-04T15:17:43.131176Z",
"updated_at": "2022-09-04T15:17:43.131201Z",
"structure_string": "Na4 Pu4 O11\n1.0\n5.787370 0.053645 -0.023331\n0.055138 5.842735 -0.027704\n-0.033069 -0.038799 8.245484\nNa O Pu\n4 11 4\ndirect\n0.006032 0.030682 0.251015 Na\n0.488208 0.560774 0.263697 Na\n0.505705 0.470802 0.725459 Na\n0.992664 0.970111 0.736057 Na\n0.807487 0.809700 0.059845 O\n0.097574 0.447755 0.248660 O\n0.399080 0.961543 0.257701 O\n0.677669 0.304787 0.432897 O\n0.824457 0.800042 0.442346 O\n0.316934 0.727005 0.559769 O\n0.177744 0.226482 0.563078 O\n0.604082 0.074097 0.746066 O\n0.898815 0.559559 0.749266 O\n0.160563 0.146320 0.956290 O\n0.358975 0.628912 0.960413 O\n0.999463 0.510004 0.498738 Pu\n0.500657 0.014941 0.499905 Pu\n0.487374 0.969796 0.993821 Pu\n0.020683 0.498804 0.994874 Pu\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Na",
"O",
"Pu"
],
"chemical_system": "Na-O-Pu",
"density": 7.40958434427681,
"density_atomic": 0.0681545037996992,
"volume": 278.77834832221106,
"volume_molar": 8.836012918087711,
"formula_full": "Na4 Pu4 O11",
"formula_reduced": "Na4Pu4O11",
"formula_anonymous": "A4B4C11",
"formation_energy": -2.66575824304453,
"spacegroup": 1
},
{
"id": "oqmd-122305",
"created_at": "2022-09-04T15:17:43.483345Z",
"updated_at": "2022-09-04T15:17:43.483370Z",
"structure_string": "Li4 Al4 H16\n1.0\n4.744694 0.282795 -0.216138\n0.492889 6.672458 -0.726377\n-3.280034 -0.685026 7.385337\nAl H Li\n4 16 4\ndirect\n0.953817 0.686223 0.089512 Al\n0.000195 0.787501 0.438107 Al\n0.004174 0.216854 0.564370 Al\n0.051392 0.312341 0.912606 Al\n0.177223 0.848338 0.084114 H\n0.777713 0.873573 0.221850 H\n0.160102 0.282805 0.230110 H\n0.092055 0.240615 0.284805 H\n0.198095 0.639635 0.313661 H\n0.713374 0.233718 0.350341 H\n0.759742 0.612377 0.398385 H\n0.218255 0.019668 0.474533 H\n0.783146 0.983467 0.526713 H\n0.246920 0.390202 0.603370 H\n0.285321 0.771618 0.653309 H\n0.810431 0.364586 0.690282 H\n0.877437 0.737310 0.697021 H\n0.833109 0.716133 0.772466 H\n0.227540 0.128755 0.779461 H\n0.825410 0.149932 0.913767 H\n0.640332 0.418536 0.194722 Li\n0.442584 0.019240 0.286560 Li\n0.561891 0.981230 0.712334 Li\n0.359750 0.585347 0.807605 Li\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Al",
"H",
"Li"
],
"chemical_system": "Al-H-Li",
"density": 1.1133280047551077,
"density_atomic": 0.1059898594833026,
"volume": 226.43675646896114,
"volume_molar": 5.68180841955802,
"formula_full": "Li4 Al4 H16",
"formula_reduced": "LiAlH4",
"formula_anonymous": "ABC4",
"formation_energy": -0.0264076381227832,
"spacegroup": 1
},
{
"id": "oqmd-692193",
"created_at": "2022-09-04T15:17:43.929563Z",
"updated_at": "2022-09-04T15:17:43.929592Z",
"structure_string": "Sr4 Pu4 O11\n1.0\n6.027286 -0.003642 0.020784\n-0.003774 6.157767 -0.041404\n0.029625 -0.057301 8.631864\nO Pu Sr\n11 4 4\ndirect\n0.785997 0.776392 0.075692 O\n0.111287 0.454660 0.255051 O\n0.398538 0.966106 0.256093 O\n0.697432 0.310173 0.431093 O\n0.800346 0.808175 0.451113 O\n0.305268 0.711328 0.545771 O\n0.202867 0.212260 0.563139 O\n0.896141 0.553206 0.741848 O\n0.610165 0.074989 0.748855 O\n0.338676 0.654636 0.948401 O\n0.139217 0.146525 0.970462 O\n0.002475 0.504466 0.496092 Pu\n0.502438 0.015062 0.499577 Pu\n0.485457 0.976335 0.994262 Pu\n0.018073 0.499450 0.996042 Pu\n0.002223 0.032035 0.249113 Sr\n0.507999 0.571671 0.260338 Sr\n0.499606 0.469748 0.722272 Sr\n0.999099 0.961054 0.738891 Sr\n",
"nsites": 19,
"nelements": 3,
"elements": [
"O",
"Pu",
"Sr"
],
"chemical_system": "O-Pu-Sr",
"density": 7.788089301994874,
"density_atomic": 0.05931009699347448,
"volume": 320.350175824033,
"volume_molar": 10.153651848963555,
"formula_full": "Sr4 Pu4 O11",
"formula_reduced": "Sr4Pu4O11",
"formula_anonymous": "A4B4C11",
"formation_energy": -3.27477000918103,
"spacegroup": 1
},
{
"id": "oqmd-20343",
"created_at": "2022-09-04T15:17:44.468646Z",
"updated_at": "2022-09-04T15:17:44.468668Z",
"structure_string": "Zn8 Ga8 N8 O8\n1.0\n6.466028 0.008969 -0.001157\n-3.225233 5.603725 0.006425\n-0.001877 0.010946 10.435955\nGa N O Zn\n8 8 8 8\ndirect\n0.171061 0.345224 0.003933 Ga\n0.171471 0.826183 0.005320 Ga\n0.669726 0.334038 0.006731 Ga\n0.332445 0.163902 0.254449 Ga\n0.324046 0.664781 0.255402 Ga\n0.835946 0.175232 0.259257 Ga\n0.177324 0.838060 0.496503 Ga\n0.326173 0.670350 0.747212 Ga\n0.174688 0.839174 0.184825 N\n0.166241 0.332355 0.185793 N\n0.660402 0.323322 0.186064 N\n0.328047 0.668146 0.435228 N\n0.327935 0.157985 0.436093 N\n0.836460 0.168109 0.438400 N\n0.171239 0.827578 0.682902 N\n0.324210 0.661996 0.933673 N\n0.661611 0.839253 0.192118 O\n0.845020 0.672561 0.445473 O\n0.665143 0.336058 0.697548 O\n0.652102 0.823748 0.698208 O\n0.174875 0.346283 0.698373 O\n0.840726 0.178731 0.942063 O\n0.333648 0.168158 0.944460 O\n0.839065 0.660447 0.944904 O\n0.655853 0.827871 0.000743 Zn\n0.838937 0.661033 0.253640 Zn\n0.661117 0.837853 0.490713 Zn\n0.169330 0.334034 0.490972 Zn\n0.660531 0.322761 0.495208 Zn\n0.327820 0.156093 0.735231 Zn\n0.832856 0.166450 0.736148 Zn\n0.843945 0.672227 0.738547 Zn\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Ga",
"N",
"O",
"Zn"
],
"chemical_system": "Ga-N-O-Zn",
"density": 5.796871660386627,
"density_atomic": 0.08455850495692317,
"volume": 378.43620835422564,
"volume_molar": 7.121862860593233,
"formula_full": "Zn8 Ga8 N8 O8",
"formula_reduced": "ZnGaNO",
"formula_anonymous": "ABCD",
"formation_energy": -1.04003552186807,
"spacegroup": 1
},
{
"id": "oqmd-20344",
"created_at": "2022-09-04T15:17:44.563668Z",
"updated_at": "2022-09-04T15:17:44.563697Z",
"structure_string": "Zn4 Ga12 N12 O4\n1.0\n6.427562 -0.000807 -0.007051\n-3.214479 5.566477 0.005817\n-0.011454 0.004298 10.417297\nGa N O Zn\n12 12 4 4\ndirect\n0.160495 0.335361 0.000322 Ga\n0.664168 0.840054 0.000554 Ga\n0.170498 0.830046 0.001114 Ga\n0.323211 0.162098 0.254508 Ga\n0.333107 0.665845 0.255235 Ga\n0.838832 0.161998 0.256258 Ga\n0.838310 0.676596 0.256588 Ga\n0.165985 0.335824 0.500198 Ga\n0.669065 0.333409 0.501936 Ga\n0.167058 0.830381 0.502281 Ga\n0.322773 0.663053 0.745029 Ga\n0.837627 0.176486 0.746523 Ga\n0.167224 0.833077 0.186146 N\n0.167421 0.334435 0.186276 N\n0.665460 0.832689 0.187026 N\n0.837295 0.174798 0.436835 N\n0.325682 0.662772 0.437161 N\n0.333465 0.167028 0.437503 N\n0.837522 0.661940 0.437600 N\n0.163523 0.337075 0.686857 N\n0.172972 0.832010 0.686998 N\n0.668645 0.326515 0.687031 N\n0.839627 0.160320 0.935214 N\n0.334216 0.665842 0.936840 N\n0.665091 0.333370 0.193113 O\n0.660752 0.837747 0.698710 O\n0.838845 0.679354 0.948570 O\n0.321324 0.161042 0.950016 O\n0.666059 0.832742 0.495463 Zn\n0.333315 0.167107 0.737913 Zn\n0.838714 0.661047 0.738282 Zn\n0.671722 0.327939 0.992039 Zn\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Ga",
"N",
"O",
"Zn"
],
"chemical_system": "Ga-N-O-Zn",
"density": 5.9275935398882185,
"density_atomic": 0.08586186649655414,
"volume": 372.6916418860315,
"volume_molar": 7.01375477347873,
"formula_full": "Zn4 Ga12 N12 O4",
"formula_reduced": "ZnGa3N3O",
"formula_anonymous": "ABC3D3",
"formation_energy": -0.797599791488659,
"spacegroup": 1
},
{
"id": "oqmd-65568",
"created_at": "2022-09-04T15:17:44.710659Z",
"updated_at": "2022-09-04T15:17:44.710687Z",
"structure_string": "Sr6 Te6 O18\n1.0\n8.458950 0.202344 0.228333\n4.182168 10.916315 0.308876\n0.055092 -0.006194 5.878972\nO Sr Te\n18 6 6\ndirect\n0.529027 0.523129 0.103612 O\n0.417375 0.319982 0.163637 O\n0.778387 0.264915 0.179234 O\n0.014503 0.902791 0.223494 O\n0.092100 0.610294 0.247303 O\n0.427533 0.772637 0.251760 O\n0.431519 0.058352 0.272028 O\n0.050025 0.341552 0.296239 O\n0.759334 0.638702 0.443683 O\n0.985574 0.154322 0.588504 O\n0.650674 0.968933 0.639108 O\n0.414812 0.217427 0.654665 O\n0.442439 0.769269 0.708032 O\n0.061620 0.883327 0.742298 O\n0.009559 0.374207 0.750846 O\n0.111532 0.591567 0.780431 O\n0.819205 0.757872 0.970229 O\n0.188243 0.024379 0.992394 O\n0.219541 0.966247 0.453530 Sr\n0.225224 0.427599 0.497631 Sr\n0.907491 0.780910 0.523769 Sr\n0.530271 0.892392 0.968573 Sr\n0.221523 0.223649 0.991828 Sr\n0.255080 0.707094 0.994370 Sr\n0.590365 0.359176 0.005460 Te\n0.949415 0.588508 0.019493 Te\n0.575871 0.111399 0.447573 Te\n0.534877 0.649468 0.474912 Te\n0.893705 0.326069 0.520161 Te\n0.973077 0.009437 0.961003 Te\n",
"nsites": 30,
"nelements": 3,
"elements": [
"O",
"Sr",
"Te"
],
"chemical_system": "O-Sr-Te",
"density": 4.876638022969356,
"density_atomic": 0.05578603724977691,
"volume": 537.7689737250511,
"volume_molar": 10.795068187109997,
"formula_full": "Sr6 Te6 O18",
"formula_reduced": "SrTeO3",
"formula_anonymous": "ABC3",
"formation_energy": -2.18605455719392,
"spacegroup": 1
},
{
"id": "oqmd-21588",
"created_at": "2022-09-04T15:17:45.012468Z",
"updated_at": "2022-09-04T15:17:45.012498Z",
"structure_string": "Cd2 H12 C4 O14\n1.0\n5.965024 0.062604 0.063508\n1.113355 6.307841 0.034342\n2.393067 1.879413 7.645035\nC Cd H O\n4 2 12 14\ndirect\n0.111811 0.326929 0.082806 C\n0.246393 0.156802 0.202841 C\n0.620386 0.346961 0.591868 C\n0.735802 0.133965 0.693124 C\n0.726570 0.024587 0.348798 Cd\n0.631271 0.457117 0.937148 Cd\n0.731057 0.624871 0.270275 H\n0.972442 0.626554 0.311405 H\n0.285924 0.432813 0.415552 H\n0.270596 0.911161 0.468225 H\n0.066434 0.499184 0.559800 H\n0.432849 0.731690 0.583425 H\n0.924611 0.751705 0.702963 H\n0.283385 0.974966 0.737475 H\n0.086149 0.573632 0.820606 H\n0.062178 0.031509 0.884926 H\n0.383658 0.846141 0.985463 H\n0.635083 0.867533 0.996768 H\n0.515035 0.763740 0.040739 O\n0.899810 0.297023 0.104158 O\n0.457912 0.187384 0.182363 O\n0.855179 0.719608 0.245415 O\n0.140049 0.001316 0.311479 O\n0.111902 0.457106 0.444630 O\n0.588531 0.350538 0.445857 O\n0.377558 0.891947 0.546363 O\n0.792946 0.973638 0.622708 O\n0.565148 0.507404 0.662349 O\n0.978711 0.591664 0.742676 O\n0.763427 0.129052 0.841021 O\n0.236070 0.011556 0.854535 O\n0.218270 0.482399 0.974011 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"C",
"Cd",
"H",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.955874059529025,
"density_atomic": 0.1119206580017526,
"volume": 285.91683225717725,
"volume_molar": 5.3807231547063425,
"formula_full": "Cd2 H12 C4 O14",
"formula_reduced": "CdH6C2O7",
"formula_anonymous": "AB2C6D7",
"formation_energy": -1.26366737807852,
"spacegroup": 1
},
{
"id": "oqmd-103129",
"created_at": "2022-09-04T15:17:45.297775Z",
"updated_at": "2022-09-04T15:17:45.297789Z",
"structure_string": "Zn4 Ga12 N12 O4\n1.0\n6.441052 -0.000947 0.000603\n-3.221344 5.575441 -0.000294\n0.000982 0.000024 10.426643\nGa N O Zn\n12 12 4 4\ndirect\n0.661255 0.837459 0.004569 Ga\n0.162639 0.338132 0.004591 Ga\n0.171682 0.828286 0.004822 Ga\n0.671613 0.327980 0.005861 Ga\n0.333004 0.665922 0.254307 Ga\n0.331966 0.166887 0.254688 Ga\n0.833704 0.667679 0.257058 Ga\n0.834446 0.166709 0.257223 Ga\n0.164380 0.333260 0.495153 Ga\n0.166833 0.832317 0.496510 Ga\n0.322651 0.663210 0.745636 Ga\n0.842448 0.172715 0.746989 Ga\n0.166336 0.833848 0.186309 N\n0.166822 0.333176 0.186800 N\n0.666792 0.833220 0.187341 N\n0.666253 0.333699 0.187547 N\n0.325439 0.662301 0.436719 N\n0.324428 0.162754 0.437748 N\n0.841094 0.170922 0.438326 N\n0.842480 0.670816 0.438656 N\n0.176042 0.831059 0.684996 N\n0.163613 0.339632 0.686580 N\n0.334044 0.665451 0.936250 N\n0.834479 0.165506 0.936480 N\n0.660381 0.839584 0.702223 O\n0.670080 0.325499 0.702223 O\n0.832390 0.665868 0.946013 O\n0.334252 0.167057 0.947544 O\n0.666417 0.833094 0.488255 Zn\n0.665834 0.332738 0.491162 Zn\n0.844222 0.671850 0.732995 Zn\n0.321982 0.161370 0.734556 Zn\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Ga",
"N",
"O",
"Zn"
],
"chemical_system": "Ga-N-O-Zn",
"density": 5.90044047287171,
"density_atomic": 0.08546855123304041,
"volume": 374.40672081533364,
"volume_molar": 7.046031169499879,
"formula_full": "Zn4 Ga12 N12 O4",
"formula_reduced": "ZnGa3N3O",
"formula_anonymous": "ABC3D3",
"formation_energy": -0.775449781488659,
"spacegroup": 1
},
{
"id": "oqmd-103128",
"created_at": "2022-09-04T15:17:45.255942Z",
"updated_at": "2022-09-04T15:17:45.255968Z",
"structure_string": "Zn4 Ga12 N12 O4\n1.0\n6.411761 -0.000781 -0.001619\n-3.206554 5.554102 0.004861\n-0.002626 0.007620 10.420071\nGa N O Zn\n12 12 4 4\ndirect\n0.664216 0.839669 0.000384 Ga\n0.165737 0.330940 0.000518 Ga\n0.175598 0.839832 0.001655 Ga\n0.329741 0.663900 0.250444 Ga\n0.841005 0.165389 0.251650 Ga\n0.840146 0.674985 0.252026 Ga\n0.161112 0.340016 0.500053 Ga\n0.161909 0.821269 0.501959 Ga\n0.677933 0.338165 0.502361 Ga\n0.325561 0.664773 0.750113 Ga\n0.333308 0.165062 0.750686 Ga\n0.835589 0.174075 0.751980 Ga\n0.162591 0.823266 0.185902 N\n0.162948 0.339061 0.186143 N\n0.665310 0.832479 0.187357 N\n0.836423 0.173229 0.436211 N\n0.326809 0.663247 0.436360 N\n0.836478 0.662778 0.436928 N\n0.176486 0.839282 0.686062 N\n0.167494 0.333075 0.686449 N\n0.660325 0.323036 0.686822 N\n0.839181 0.162399 0.936142 N\n0.333206 0.665455 0.936542 N\n0.323362 0.162711 0.936778 N\n0.677867 0.339324 0.195406 O\n0.333292 0.167332 0.446187 O\n0.660529 0.838464 0.696907 O\n0.838299 0.678534 0.945615 O\n0.322413 0.161421 0.243422 Zn\n0.665993 0.833013 0.495093 Zn\n0.838276 0.661623 0.746149 Zn\n0.660861 0.322198 0.995830 Zn\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Ga",
"N",
"O",
"Zn"
],
"chemical_system": "Ga-N-O-Zn",
"density": 5.953838028543502,
"density_atomic": 0.08624202089918423,
"volume": 371.048818967352,
"volume_molar": 6.982838177041099,
"formula_full": "Zn4 Ga12 N12 O4",
"formula_reduced": "ZnGa3N3O",
"formula_anonymous": "ABC3D3",
"formation_energy": -0.821128450863658,
"spacegroup": 1
}
]
}