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=nsites&page=4603",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4601",
"results": [
{
"id": "jvasp-32740",
"created_at": "2022-09-04T14:36:48.152841Z",
"updated_at": "2022-09-04T14:36:48.152865Z",
"structure_string": "B4 H32 C4 N4\n1.0\n4.900170 0.000000 0.000000\n-0.000000 6.449533 0.000000\n0.000000 0.000000 10.741604\nB H C N\n4 32 4 4\ndirect\n0.816784 0.250000 0.470598 B\n0.683216 0.250000 0.970597 B\n0.183216 0.750000 0.529402 B\n0.316784 0.750000 0.029402 B\n0.120859 0.250000 0.762345 H\n0.316039 0.750000 0.915446 H\n0.226059 0.121982 0.461202 H\n0.794120 0.404723 0.927823 H\n0.294120 0.904723 0.572176 H\n0.205880 0.904723 0.072177 H\n0.816039 0.250000 0.584554 H\n0.205880 0.595277 0.072177 H\n0.705880 0.095277 0.427823 H\n0.794120 0.095277 0.927823 H\n0.437392 0.111718 0.748585 H\n0.937392 0.888282 0.751414 H\n0.726059 0.621982 0.038798 H\n0.726059 0.878017 0.038798 H\n0.273941 0.121982 0.961201 H\n0.273941 0.378017 0.961201 H\n0.773941 0.621982 0.538798 H\n0.062608 0.388282 0.248586 H\n0.294120 0.595277 0.572176 H\n0.379141 0.250000 0.262345 H\n0.226059 0.378017 0.461202 H\n0.562608 0.611717 0.251414 H\n0.937392 0.611717 0.751414 H\n0.183961 0.750000 0.415446 H\n0.620859 0.750000 0.737654 H\n0.562608 0.888282 0.251414 H\n0.879141 0.750000 0.237655 H\n0.773941 0.878017 0.538798 H\n0.437392 0.388282 0.748585 H\n0.705880 0.404723 0.427823 H\n0.683961 0.250000 0.084554 H\n0.062608 0.111718 0.248586 H\n0.838356 0.750000 0.712818 C\n0.661644 0.750000 0.212818 C\n0.338356 0.250000 0.787182 C\n0.161644 0.250000 0.287182 C\n0.627127 0.750000 0.075438 N\n0.127127 0.250000 0.424562 N\n0.872873 0.750000 0.575438 N\n0.372873 0.250000 0.924562 N\n",
"nsites": 44,
"nelements": 4,
"elements": [
"B",
"H",
"C",
"N"
],
"chemical_system": "B-C-H-N",
"density": 0.8783522438971822,
"density_atomic": 0.12961167480879646,
"volume": 339.4755917235769,
"volume_molar": 4.6462949953265245,
"formula_full": "B4 H32 C4 N4",
"formula_reduced": "BH8CN",
"formula_anonymous": "ABCD8",
"energy_above_hull": 3.967564166666667,
"spacegroup": 62
},
{
"id": "jvasp-104030",
"created_at": "2022-09-04T14:37:00.457817Z",
"updated_at": "2022-09-04T14:37:00.457846Z",
"structure_string": "H20 C18 O6\n1.0\n8.569239 0.000000 -0.154383\n0.000000 4.626362 0.000000\n-0.002555 0.000000 9.918665\nH C O\n20 18 6\ndirect\n0.207201 0.108104 0.259653 H\n0.678373 0.641081 0.967550 H\n0.321628 0.141081 0.032451 H\n0.526596 0.395741 0.918193 H\n0.473404 0.895741 0.081808 H\n0.540644 0.741227 0.838429 H\n0.944008 0.399239 0.606296 H\n0.055993 0.899239 0.393705 H\n0.200275 0.237407 0.534280 H\n0.799726 0.737407 0.465721 H\n0.459357 0.241228 0.161572 H\n0.651562 0.360207 0.334929 H\n0.348438 0.860207 0.665072 H\n0.421234 0.503186 0.461787 H\n0.578767 0.003186 0.538213 H\n0.023018 0.334772 0.047514 H\n0.792800 0.608104 0.740348 H\n0.765223 0.160272 0.124835 H\n0.234777 0.660272 0.875165 H\n0.976982 0.834772 0.952487 H\n0.993968 0.739217 0.333015 C\n0.620417 0.327630 0.654887 C\n0.379584 0.827629 0.345114 C\n0.715132 0.435826 0.776397 C\n0.284869 0.935826 0.223604 C\n0.607435 0.561642 0.882241 C\n0.392565 0.061642 0.117760 C\n0.006033 0.239217 0.666986 C\n0.152299 0.144296 0.625523 C\n0.944775 0.127885 0.785867 C\n0.236020 0.937345 0.699202 C\n0.763981 0.437345 0.300799 C\n0.172188 0.824410 0.816781 C\n0.827813 0.324410 0.183220 C\n0.027610 0.919624 0.860624 C\n0.972391 0.419624 0.139377 C\n0.055225 0.627885 0.214134 C\n0.847702 0.644296 0.374478 C\n0.196014 0.709711 0.160026 O\n0.475433 0.988944 0.402007 O\n0.524568 0.488944 0.597994 O\n0.352106 0.558206 0.381193 O\n0.647894 0.058206 0.618808 O\n0.803986 0.209711 0.839975 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4034884117119062,
"density_atomic": 0.11189729856020278,
"volume": 393.2177145128057,
"volume_molar": 5.381846423003661,
"formula_full": "H20 C18 O6",
"formula_reduced": "H10(C3O)3",
"formula_anonymous": "A3B9C10",
"energy_above_hull": 5.025247750000001,
"spacegroup": 4
},
{
"id": "jvasp-96934",
"created_at": "2022-09-04T14:36:02.521308Z",
"updated_at": "2022-09-04T14:36:02.521337Z",
"structure_string": "Na4 P4 H16 O20\n1.0\n7.345215 0.000000 0.000000\n0.000000 7.563727 0.000000\n0.000000 0.000000 7.823493\nNa P H O\n4 4 16 20\ndirect\n0.981331 0.502003 0.485345 Na\n0.481331 0.997998 0.985345 Na\n0.981331 0.002003 0.014655 Na\n0.481331 0.497998 0.514654 Na\n0.746531 0.375158 0.876696 P\n0.246531 0.124842 0.376696 P\n0.746531 0.875158 0.623304 P\n0.246531 0.624842 0.123304 P\n0.458710 0.448548 0.891001 H\n0.850122 0.210538 0.658174 H\n0.850122 0.710538 0.841826 H\n0.958710 0.051453 0.391001 H\n0.209840 0.694720 0.771179 H\n0.958710 0.551453 0.108998 H\n0.722577 0.720921 0.090445 H\n0.222577 0.779079 0.590445 H\n0.722577 0.220921 0.409555 H\n0.709841 0.305280 0.228821 H\n0.222577 0.279079 0.909555 H\n0.350122 0.289462 0.158174 H\n0.350122 0.789462 0.341826 H\n0.709841 0.805281 0.271179 H\n0.209840 0.194720 0.728821 H\n0.458710 0.948548 0.608998 H\n0.733884 0.721083 0.501668 O\n0.827623 0.544552 0.954884 O\n0.864641 0.333501 0.712948 O\n0.553591 0.425368 0.797408 O\n0.364641 0.166499 0.212948 O\n0.327622 0.955449 0.454884 O\n0.211455 0.663696 0.648112 O\n0.553591 0.925368 0.702592 O\n0.233884 0.278917 0.498331 O\n0.827623 0.044552 0.545115 O\n0.053591 0.074633 0.297408 O\n0.711455 0.336304 0.351888 O\n0.733884 0.221083 -0.001668 O\n0.864641 0.833501 0.787052 O\n0.211455 0.163696 0.851887 O\n0.053591 0.574633 0.202592 O\n0.233884 0.778917 0.001668 O\n0.364641 0.666500 0.287052 O\n0.711455 0.836304 0.148112 O\n0.327622 0.455449 0.045116 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Na",
"P",
"H",
"O"
],
"chemical_system": "H-Na-O-P",
"density": 2.1087391381869156,
"density_atomic": 0.1012305555851219,
"volume": 434.65137325065507,
"volume_molar": 5.948935798278963,
"formula_full": "Na4 P4 H16 O20",
"formula_reduced": "NaPH4O5",
"formula_anonymous": "ABC4D5",
"energy_above_hull": 2.5601783636363638,
"spacegroup": 33
},
{
"id": "jvasp-98340",
"created_at": "2022-09-04T14:35:58.838810Z",
"updated_at": "2022-09-04T14:35:58.838828Z",
"structure_string": "V2 H20 S2 O20\n1.0\n7.536671 0.000000 0.000000\n0.000000 9.122127 0.000000\n0.000000 0.000000 5.873549\nV H S O\n2 20 2 20\ndirect\n0.500000 0.717679 0.503309 V\n0.000000 0.282321 0.003309 V\n0.846717 0.509971 0.804601 H\n0.346717 0.490029 0.304601 H\n0.653283 0.490029 0.304601 H\n0.302836 0.376255 0.803694 H\n0.697164 0.376255 0.803694 H\n0.197164 0.623746 0.303694 H\n0.802836 0.623746 0.303694 H\n0.254250 0.140905 0.198334 H\n0.745750 0.140905 0.198334 H\n0.153283 0.509971 0.804601 H\n0.754250 0.859096 0.698334 H\n0.173247 0.025756 0.013922 H\n0.826753 0.025756 0.013922 H\n0.326753 0.974244 0.513922 H\n0.673246 0.974244 0.513922 H\n0.000000 0.238673 0.524290 H\n0.500000 0.761327 0.024290 H\n0.000000 0.077020 0.625141 H\n0.500000 0.922980 0.125140 H\n0.245750 0.859096 0.698334 H\n0.000000 0.759656 0.965449 S\n0.500000 0.240345 0.465449 S\n0.500000 0.347426 0.274546 O\n0.161219 0.854818 0.944688 O\n0.838781 0.854818 0.944688 O\n0.000000 0.652574 0.774546 O\n0.338781 0.145183 0.444688 O\n0.661219 0.145183 0.444688 O\n0.189084 0.413741 0.869966 O\n0.810915 0.413741 0.869966 O\n0.310916 0.586259 0.369966 O\n0.000000 0.179989 0.667321 O\n0.196805 0.132442 0.043734 O\n0.803195 0.132442 0.043734 O\n0.303195 0.867558 0.543734 O\n0.696805 0.867558 0.543734 O\n0.500000 0.820012 0.167321 O\n0.000000 0.333088 0.269745 O\n0.500000 0.666913 0.769745 O\n0.500000 0.314482 0.690324 O\n0.689084 0.586259 0.369966 O\n0.000000 0.685518 0.190323 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"V",
"H",
"S",
"O"
],
"chemical_system": "H-O-S-V",
"density": 2.0814236241984516,
"density_atomic": 0.10896233683898664,
"volume": 403.809254430902,
"volume_molar": 5.526809478121694,
"formula_full": "V2 H20 S2 O20",
"formula_reduced": "VH10SO10",
"formula_anonymous": "ABC10D10",
"energy_above_hull": 3.1811745090909094,
"spacegroup": 31
},
{
"id": "jvasp-96166",
"created_at": "2022-09-04T14:36:03.642533Z",
"updated_at": "2022-09-04T14:36:03.642548Z",
"structure_string": "Rb4 P4 H16 O20\n1.0\n6.910096 0.000000 -1.793895\n0.000000 7.735656 0.000000\n0.089517 0.000000 9.440104\nRb P H O\n4 4 16 20\ndirect\n0.823325 0.221289 0.459504 Rb\n0.176676 0.721289 0.040496 Rb\n0.176676 0.778712 0.540496 Rb\n0.823325 0.278712 0.959504 Rb\n0.367445 0.209977 0.151148 P\n0.632555 0.709978 0.348852 P\n0.632556 0.790023 0.848852 P\n0.367446 0.290023 0.651148 P\n0.362395 0.175733 0.441294 H\n0.637606 0.675734 0.058706 H\n0.362395 0.324267 0.941294 H\n0.120745 0.409738 0.277110 H\n0.879256 0.909738 0.222890 H\n0.879256 0.590262 0.722890 H\n0.120745 0.090262 0.777110 H\n0.637606 0.824267 0.558706 H\n0.066813 0.016463 0.211559 H\n0.066813 0.483537 0.711559 H\n0.933188 0.983537 0.788441 H\n0.577715 0.509115 0.668353 H\n0.422287 0.009114 0.831647 H\n0.422286 0.490886 0.331647 H\n0.577714 0.990886 0.168353 H\n0.933188 0.516463 0.288442 H\n0.569834 0.378352 0.653319 O\n0.202242 0.086360 0.098049 O\n0.797759 0.586360 0.401951 O\n0.003350 0.034802 0.719006 O\n0.202242 0.413641 0.598049 O\n0.430168 0.878352 0.846681 O\n0.996651 0.534803 0.780994 O\n0.797759 0.913641 0.901951 O\n0.430167 0.621648 0.346681 O\n0.639464 0.868390 0.457410 O\n0.360537 0.131611 0.542590 O\n0.639464 0.631611 0.957410 O\n0.360537 0.368389 0.042590 O\n0.377391 0.208480 0.801299 O\n0.622610 0.708481 0.698701 O\n0.622610 0.791520 0.198702 O\n0.377391 0.291520 0.301299 O\n0.996651 0.965198 0.280994 O\n0.569833 0.121648 0.153320 O\n0.003350 0.465198 0.219007 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Rb",
"P",
"H",
"O"
],
"chemical_system": "H-O-P-Rb",
"density": 2.632287752960086,
"density_atomic": 0.08698149400932596,
"volume": 505.8547280790833,
"volume_molar": 6.923473583190374,
"formula_full": "Rb4 P4 H16 O20",
"formula_reduced": "RbPH4O5",
"formula_anonymous": "ABC4D5",
"energy_above_hull": 2.532437545454545,
"spacegroup": 14
},
{
"id": "jvasp-87198",
"created_at": "2022-09-04T14:36:03.794445Z",
"updated_at": "2022-09-04T14:36:03.794463Z",
"structure_string": "Ba4 V8 Cd4 O28\n1.0\n5.755142 -0.000000 0.000000\n0.000000 7.458863 0.000000\n0.000000 0.000000 15.515453\nBa V Cd O\n4 8 4 28\ndirect\n0.250000 0.142707 0.287874 Ba\n0.250000 0.357292 0.787874 Ba\n0.750000 0.857292 0.712126 Ba\n0.750000 0.642707 0.212126 Ba\n0.750000 0.304478 0.440222 V\n0.250000 0.804477 0.059778 V\n0.750000 0.195522 0.940222 V\n0.250000 0.695522 0.559778 V\n0.750000 0.164465 0.141744 V\n0.250000 0.835534 0.858256 V\n0.250000 0.664465 0.358256 V\n0.750000 0.335534 0.641744 V\n0.250000 0.119586 0.551129 Cd\n0.750000 0.880414 0.448871 Cd\n0.750000 0.619586 0.948871 Cd\n0.250000 0.380414 0.051129 Cd\n0.488998 0.698350 0.848666 O\n0.250000 0.979489 0.775015 O\n0.750000 0.020511 0.224984 O\n0.750000 0.479489 0.724984 O\n0.250000 0.520511 0.275015 O\n0.988998 0.301649 0.151334 O\n0.250000 0.920964 0.151439 O\n0.011002 0.698350 0.848666 O\n0.750000 0.079036 0.848560 O\n0.750000 0.420964 0.348561 O\n0.250000 0.579035 0.651439 O\n0.990424 0.337087 0.942200 O\n0.490425 0.662913 0.057800 O\n0.009575 0.837087 0.557800 O\n0.509575 0.162913 0.442200 O\n0.009575 0.662913 0.057800 O\n0.511002 0.198351 0.651334 O\n0.509575 0.337087 0.942200 O\n0.490425 0.837087 0.557800 O\n0.250000 0.942837 0.964044 O\n0.750000 0.057162 0.035956 O\n0.750000 0.442838 0.535956 O\n0.250000 0.557162 0.464044 O\n0.488998 0.801649 0.348666 O\n0.988998 0.198351 0.651334 O\n0.511002 0.301649 0.151334 O\n0.990424 0.162913 0.442200 O\n0.011002 0.801649 0.348666 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Ba",
"V",
"Cd",
"O"
],
"chemical_system": "Ba-Cd-O-V",
"density": 4.623545327979813,
"density_atomic": 0.06606319025422,
"volume": 666.028991798339,
"volume_molar": 9.115728042842006,
"formula_full": "Ba4 V8 Cd4 O28",
"formula_reduced": "BaV2CdO7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.348647147272727,
"spacegroup": 62
},
{
"id": "jvasp-91251",
"created_at": "2022-09-04T14:36:03.004423Z",
"updated_at": "2022-09-04T14:36:03.004447Z",
"structure_string": "Tm8 Si8 O28\n1.0\n6.575453 -0.019649 -0.152593\n-0.258638 6.569166 -0.507235\n-0.048226 -0.011895 11.962471\nTm Si O\n8 8 28\ndirect\n0.454356 0.172243 0.885817 Tm\n0.820484 0.327173 0.111988 Tm\n0.179515 0.672828 0.888012 Tm\n0.871364 0.709185 0.634926 Tm\n0.545642 0.827758 0.114183 Tm\n0.616555 0.591574 0.356913 Tm\n0.383443 0.408427 0.643086 Tm\n0.128635 0.290816 0.365074 Tm\n0.639662 0.124732 0.377173 Si\n0.121545 0.779938 0.405412 Si\n0.878454 0.220063 0.594588 Si\n0.360336 0.875269 0.622827 Si\n0.988780 0.163540 0.826492 Si\n0.658885 0.647796 0.885784 Si\n0.341113 0.352205 0.114215 Si\n0.011218 0.836461 0.173507 Si\n0.274216 0.599464 0.375803 O\n0.725782 0.400537 0.624196 O\n0.912164 0.673244 0.449204 O\n0.087835 0.326757 0.550796 O\n0.098454 0.942441 0.305675 O\n0.901544 0.057560 0.694324 O\n0.502145 0.483156 0.813749 O\n0.885881 0.636077 0.215319 O\n0.497853 0.516845 0.186251 O\n0.502533 0.835350 0.917688 O\n0.497466 0.164652 0.082311 O\n0.856604 0.708768 0.816209 O\n0.143394 0.291234 0.183790 O\n0.728245 0.582727 0.008804 O\n0.271753 0.417274 0.991196 O\n0.569425 0.911808 0.306752 O\n0.799367 0.205903 0.908463 O\n0.430573 0.088193 0.693248 O\n0.542174 0.725516 0.580247 O\n0.787140 0.284604 0.311078 O\n0.212859 0.715397 0.688922 O\n0.781208 0.069184 0.487477 O\n0.218791 0.930817 0.512523 O\n0.151351 0.011752 0.876786 O\n0.848648 0.988249 0.123214 O\n0.114117 0.363924 0.784681 O\n0.457824 0.274485 0.419753 O\n0.200631 0.794098 0.091537 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Tm",
"Si",
"O"
],
"chemical_system": "O-Si-Tm",
"density": 6.506671912218215,
"density_atomic": 0.08517688465017001,
"volume": 516.572074462601,
"volume_molar": 7.0701585115886,
"formula_full": "Tm8 Si8 O28",
"formula_reduced": "Tm2Si2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.5287391090909086,
"spacegroup": 2
},
{
"id": "jvasp-20984",
"created_at": "2022-09-04T14:38:35.353234Z",
"updated_at": "2022-09-04T14:38:35.353258Z",
"structure_string": "Zr4 S8 O32\n1.0\n5.482986 -0.000000 0.000000\n-0.000000 8.654674 0.000000\n0.000000 0.000000 10.972578\nZr S O\n4 8 32\ndirect\n0.250000 0.754714 0.604618 Zr\n0.750001 0.245286 0.395382 Zr\n0.250000 0.254714 0.895382 Zr\n0.750001 0.745286 0.104618 Zr\n0.750001 0.647194 0.408100 S\n0.250000 0.352805 0.591900 S\n0.750001 0.147194 0.091900 S\n0.250000 0.852805 0.908100 S\n0.750001 0.499961 0.843193 S\n0.250000 0.000038 0.343193 S\n0.750001 0.999961 0.656807 S\n0.250000 0.500038 0.156807 S\n0.250000 0.237321 0.690810 O\n0.033370 0.604114 0.162821 O\n0.966630 0.895885 0.662821 O\n0.466630 0.104114 0.337179 O\n0.750001 0.762678 0.309190 O\n0.750001 0.262678 0.190810 O\n0.970189 0.666703 0.483284 O\n0.750001 0.988938 0.143273 O\n0.250000 0.011062 0.856727 O\n0.750001 0.488938 0.356727 O\n0.250000 0.511061 0.643273 O\n0.533371 0.395886 0.837179 O\n0.470189 0.333296 0.516716 O\n0.250000 0.737321 0.809191 O\n0.533371 0.895885 0.662821 O\n0.470189 0.833296 0.983284 O\n0.966630 0.395886 0.837179 O\n0.466630 0.604114 0.162821 O\n0.029812 0.333296 0.516716 O\n0.529812 0.666703 0.483284 O\n0.529812 0.166703 0.016716 O\n0.970189 0.166703 0.016716 O\n0.750001 0.607831 0.744428 O\n0.250000 0.392169 0.255572 O\n0.750001 0.107831 0.755572 O\n0.250000 0.892169 0.244428 O\n0.750001 0.571506 0.965769 O\n0.250000 0.428494 0.034231 O\n0.750001 0.071506 0.534231 O\n0.250000 0.928494 0.465769 O\n0.033370 0.104114 0.337179 O\n0.029812 0.833296 0.983284 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Zr",
"S",
"O"
],
"chemical_system": "O-S-Zr",
"density": 3.614552625118564,
"density_atomic": 0.08450378250743329,
"volume": 520.686751461446,
"volume_molar": 7.1264747935635535,
"formula_full": "Zr4 S8 O32",
"formula_reduced": "Zr(SO4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 2.833312954545454,
"spacegroup": 62
},
{
"id": "jvasp-30781",
"created_at": "2022-09-04T14:38:37.414548Z",
"updated_at": "2022-09-04T14:38:37.414580Z",
"structure_string": "Zn4 Sn12 O28\n1.0\n5.233426 0.000000 -0.000000\n0.000000 10.291181 0.000000\n0.000000 0.000000 10.253908\nZn Sn O\n4 12 28\ndirect\n0.662281 0.750000 0.869587 Zn\n0.162280 0.250000 0.630413 Zn\n0.337720 0.250000 0.130413 Zn\n0.837720 0.750000 0.369587 Zn\n0.640838 0.015294 0.640336 Sn\n0.359163 0.515294 0.359664 Sn\n0.859163 0.484706 0.140336 Sn\n0.176388 0.750000 0.644233 Sn\n0.676388 0.250000 0.855767 Sn\n0.140838 0.984706 0.859664 Sn\n0.323613 0.750000 0.144233 Sn\n0.140838 0.515294 0.859664 Sn\n0.640838 0.484706 0.640336 Sn\n0.859163 0.015294 0.140336 Sn\n0.359163 0.984706 0.359664 Sn\n0.823613 0.250000 0.355767 Sn\n0.919370 0.620750 0.717271 O\n0.204693 0.750000 0.454822 O\n0.704693 0.250000 0.045178 O\n0.795308 0.250000 0.545178 O\n0.295308 0.750000 0.954822 O\n0.816129 0.917091 0.966940 O\n0.683872 0.582908 0.466940 O\n0.316128 0.082908 0.533060 O\n0.816129 0.582908 0.966940 O\n0.316128 0.417092 0.533060 O\n0.419369 0.379250 0.782729 O\n0.183872 0.417092 0.033060 O\n0.080631 0.120750 0.282729 O\n0.585574 0.121253 0.257903 O\n0.080631 0.379250 0.282729 O\n0.580631 0.620750 0.217271 O\n0.919370 0.879250 0.717271 O\n0.419369 0.120750 0.782729 O\n0.414427 0.621253 0.742097 O\n0.914427 0.378747 0.757903 O\n0.183872 0.082908 0.033060 O\n0.085574 0.878747 0.242097 O\n0.585574 0.378747 0.257903 O\n0.085574 0.621253 0.242097 O\n0.414427 0.878747 0.742097 O\n0.914427 0.121253 0.757903 O\n0.580631 0.879250 0.217271 O\n0.683872 0.917091 0.466940 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"O"
],
"chemical_system": "O-Sn-Zn",
"density": 6.416986412131423,
"density_atomic": 0.07967314406940104,
"volume": 552.256353303603,
"volume_molar": 7.558557943633156,
"formula_full": "Zn4 Sn12 O28",
"formula_reduced": "ZnSn3O7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 1.6828145454545456,
"spacegroup": 62
},
{
"id": "jvasp-112025",
"created_at": "2022-09-04T14:38:41.875693Z",
"updated_at": "2022-09-04T14:38:41.875733Z",
"structure_string": "Sn1 H24 C13 O6\n1.0\n5.032208 0.042799 -0.395730\n-2.876671 7.515382 -3.052561\n-0.141134 -0.078296 9.601137\nSn H C O\n1 24 13 6\ndirect\n0.005842 0.586833 0.161055 Sn\n0.863424 0.364105 0.554710 H\n0.019525 0.769302 0.011864 H\n0.852177 0.346736 0.731886 H\n0.515845 0.011277 0.565353 H\n0.887482 0.075338 0.580164 H\n0.812817 0.112639 0.327997 H\n0.437091 0.015492 0.310295 H\n0.982658 0.795365 0.555456 H\n0.918553 0.006967 0.793903 H\n0.562112 0.539345 0.474647 H\n0.478747 0.719257 0.594545 H\n0.120284 0.543976 0.397203 H\n0.329377 0.259526 0.678725 H\n0.041811 0.663277 0.650629 H\n0.433741 0.897114 0.784937 H\n0.410082 0.101788 0.800558 H\n0.932382 0.867305 0.886806 H\n0.144311 0.139396 0.123943 H\n0.497750 0.275845 0.232975 H\n0.712136 0.142107 0.030439 H\n0.320427 0.271088 0.498169 H\n0.455363 0.965518 0.052193 H\n0.650741 0.584632 0.803055 H\n0.298920 0.541420 0.722172 H\n0.343197 0.996986 0.843959 C\n0.498236 0.527861 0.692546 C\n0.361397 0.206605 0.116718 C\n0.015400 0.909527 0.798779 C\n0.482892 0.074593 0.014402 C\n0.452501 0.328486 0.615463 C\n0.695400 0.093850 0.536038 C\n0.919828 0.748342 0.644547 C\n0.648241 0.023238 0.359621 C\n0.731395 0.291566 0.612733 C\n0.665235 0.839969 0.298594 C\n0.353561 0.347905 0.060554 C\n0.602047 0.632988 0.594630 C\n0.906483 0.827950 0.274290 O\n0.114479 0.684821 0.008326 O\n0.943245 0.488631 0.318994 O\n0.576768 0.447151 0.038252 O\n0.112669 0.363085 0.029986 O\n0.453386 0.704595 0.283535 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.8091110493769493,
"density_atomic": 0.12134784386967316,
"volume": 362.5939991752612,
"volume_molar": 4.962709322192607,
"formula_full": "Sn1 H24 C13 O6",
"formula_reduced": "SnH24C13O6",
"formula_anonymous": "AB6C13D24",
"energy_above_hull": 4.574133470454546,
"spacegroup": 1
},
{
"id": "jvasp-20791",
"created_at": "2022-09-04T14:38:35.225808Z",
"updated_at": "2022-09-04T14:38:35.225838Z",
"structure_string": "P16 S28\n1.0\n0.000000 6.766485 0.213237\n17.435255 0.000000 0.000000\n0.000000 -6.102717 -9.099381\nP S\n16 28\ndirect\n0.436680 0.619026 0.718225 P\n0.420355 0.832499 0.505322 P\n0.579645 0.167502 0.494677 P\n0.420355 0.667502 0.005322 P\n-0.000118 0.961576 0.227210 P\n0.000117 0.461576 0.272790 P\n0.000117 0.038424 0.772790 P\n-0.000118 0.538425 0.727210 P\n0.579645 0.332499 -0.005323 P\n0.883959 0.291618 0.357182 P\n0.883959 0.208382 0.857182 P\n0.116040 0.708383 0.642818 P\n0.436680 0.880974 0.218225 P\n0.563320 0.380974 0.281775 P\n0.563320 0.119026 0.781775 P\n0.116041 0.791618 0.142818 P\n0.268953 0.989201 0.194182 S\n0.822152 0.633517 0.583392 S\n0.177848 0.133517 0.916607 S\n0.177848 0.366483 0.416607 S\n0.822152 0.866483 0.083392 S\n0.224262 0.742262 0.353061 S\n0.775738 0.257739 0.646939 S\n0.775738 0.242262 0.146939 S\n0.668639 0.635749 0.956840 S\n0.331360 0.135749 0.543159 S\n0.731047 0.489201 0.305818 S\n0.224262 0.757739 0.853061 S\n0.731046 0.010799 0.805818 S\n0.215139 0.954389 0.808860 S\n0.582309 0.804573 0.714941 S\n0.417690 0.304573 0.785059 S\n0.417691 0.195427 0.285059 S\n0.582310 0.695428 0.214941 S\n0.784861 0.045612 0.191139 S\n0.215139 0.545612 0.308860 S\n0.331360 0.364251 0.043159 S\n0.784861 0.454388 0.691139 S\n0.176490 0.924990 0.455584 S\n0.823510 0.424990 0.044415 S\n0.823510 0.075010 0.544415 S\n0.176489 0.575010 0.955584 S\n0.268953 0.510799 0.694181 S\n0.668640 0.864252 0.456840 S\n",
"nsites": 44,
"nelements": 2,
"elements": [
"P",
"S"
],
"chemical_system": "P-S",
"density": 2.201907504159929,
"density_atomic": 0.041872296881805514,
"volume": 1050.8141008887196,
"volume_molar": 14.382160063965253,
"formula_full": "P16 S28",
"formula_reduced": "P4S7",
"formula_anonymous": "A4B7",
"energy_above_hull": 2.7509765454545456,
"spacegroup": 14
},
{
"id": "jvasp-59828",
"created_at": "2022-09-04T14:38:35.943637Z",
"updated_at": "2022-09-04T14:38:35.943651Z",
"structure_string": "Zn4 Ni4 P8 O28\n1.0\n0.000000 6.996563 0.028727\n8.352937 0.000000 0.000000\n0.000000 -3.608204 -8.270894\nZn Ni P O\n4 4 8 28\ndirect\n0.699789 0.945419 0.822884 Zn\n0.300211 0.445418 0.677115 Zn\n0.699788 0.554582 0.322885 Zn\n0.300211 0.054582 0.177115 Zn\n0.228587 0.074786 0.610022 Ni\n0.771412 0.925214 0.389977 Ni\n0.771413 0.574786 0.889977 Ni\n0.228587 0.425214 0.110022 Ni\n0.942557 0.269070 0.761912 P\n0.472559 0.728401 0.532293 P\n0.942557 0.230930 0.261912 P\n0.472559 0.771599 0.032294 P\n0.057443 0.769070 0.738087 P\n0.527441 0.228401 0.967706 P\n0.057442 0.730930 0.238087 P\n0.527440 0.271599 0.467706 P\n0.898337 0.112877 0.825361 O\n0.118778 0.240132 0.201072 O\n0.521950 0.908930 0.155961 O\n0.369188 0.236084 0.046572 O\n0.630811 0.763916 0.953427 O\n0.478050 0.408930 0.344039 O\n0.521950 0.591071 0.655960 O\n0.898337 0.387123 0.325361 O\n0.881222 0.740132 0.298928 O\n0.553354 0.108988 0.398954 O\n0.019340 0.589989 0.119628 O\n0.446645 0.891012 0.601046 O\n0.744932 0.326132 0.603996 O\n0.980659 0.089989 0.380372 O\n0.881222 0.759868 0.798927 O\n0.980659 0.410011 0.880372 O\n0.019341 0.910011 0.619627 O\n0.369189 0.263916 0.546572 O\n0.478050 0.091071 0.844039 O\n0.446645 0.608988 0.101046 O\n0.630811 0.736084 0.453427 O\n0.255068 0.826132 0.896003 O\n0.553355 0.391012 0.898953 O\n0.101663 0.887124 0.174639 O\n0.101663 0.612877 0.674638 O\n0.744932 0.173869 0.103996 O\n0.118778 0.259868 0.701072 O\n0.255068 0.673869 0.396004 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Zn",
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P-Zn",
"density": 4.102930687949003,
"density_atomic": 0.09119160774767687,
"volume": 482.5005402004321,
"volume_molar": 6.603832204234184,
"formula_full": "Zn4 Ni4 P8 O28",
"formula_reduced": "ZnNiP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.2780243909090907,
"spacegroup": 14
}
]
}