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=125",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=123",
"results": [
{
"id": "jvasp-95591",
"created_at": "2022-09-04T14:36:14.707614Z",
"updated_at": "2022-09-04T14:36:14.707636Z",
"structure_string": "K2 H2 I4 F24\n1.0\n-4.937769 4.937769 5.203949\n4.937769 -4.937769 5.203949\n4.937769 4.937769 -5.203949\nK H I F\n2 2 4 24\ndirect\n0.250000 0.250000 0.000000 K\n0.750000 0.750000 0.000000 K\n0.250000 0.750000 0.500000 H\n0.750000 0.250000 0.500000 H\n0.656816 0.156816 0.813630 I\n0.343184 0.843184 0.186370 I\n0.156816 0.343184 0.500000 I\n0.843184 0.656816 0.500000 I\n0.148879 0.289747 0.697003 F\n0.648879 0.951876 0.859132 F\n0.092745 0.789747 0.140868 F\n0.548124 0.851122 0.140868 F\n0.407256 0.548124 0.697003 F\n0.048124 0.907256 0.697003 F\n0.210253 0.351121 0.302998 F\n0.592745 0.451876 0.302998 F\n0.851122 0.710253 0.302998 F\n0.710253 0.407256 0.859132 F\n0.789747 0.648879 0.697003 F\n0.708215 0.791786 0.500000 F\n0.289747 0.592745 0.140868 F\n0.451876 0.148879 0.859132 F\n0.351121 0.048124 0.140868 F\n0.291786 0.208214 0.500000 F\n0.208214 0.708215 0.916429 F\n0.791786 0.291786 0.083571 F\n0.861225 0.361225 0.500000 F\n0.361225 0.861225 0.500000 F\n0.138775 0.638775 0.500000 F\n0.638775 0.138775 0.500000 F\n0.951876 0.092745 0.302998 F\n0.907256 0.210253 0.859132 F\n",
"nsites": 32,
"nelements": 4,
"elements": [
"K",
"H",
"I",
"F"
],
"chemical_system": "F-H-I-K",
"density": 3.4151400335713475,
"density_atomic": 0.06305149923906024,
"volume": 507.52163526947635,
"volume_molar": 9.551146019806772,
"formula_full": "K2 H2 I4 F24",
"formula_reduced": "KH(IF6)2",
"formula_anonymous": "ABC2D12",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-101865",
"created_at": "2022-09-04T14:36:41.707333Z",
"updated_at": "2022-09-04T14:36:41.707349Z",
"structure_string": "H12 C14 N4 O2\n1.0\n4.685640 -0.000034 -0.000231\n-2.342429 6.728804 -0.549948\n-0.000004 -0.271510 8.844526\nH C N O\n12 14 4 2\ndirect\n0.408557 0.003099 0.319140 H\n0.051671 0.676319 0.681758 H\n0.760830 0.948682 0.130739 H\n0.227197 0.209761 0.059731 H\n0.329943 0.415262 0.252768 H\n0.094513 0.003120 0.819149 H\n0.717988 0.621881 0.993350 H\n0.687879 0.948698 0.630737 H\n0.403933 0.621895 0.493355 H\n0.482554 0.209755 0.559722 H\n0.585332 0.415261 0.752746 H\n0.124612 0.676299 0.181764 H\n0.578791 0.705081 0.956099 C\n0.206091 0.734015 0.780252 C\n0.233711 0.919919 0.856400 C\n0.655480 0.312492 0.156259 C\n0.380753 0.624516 0.829492 C\n0.431753 0.000487 0.983006 C\n0.606410 0.890985 0.032247 C\n0.743770 0.624514 0.329500 C\n0.186180 0.919907 0.356398 C\n0.157018 0.312499 0.656254 C\n0.068727 0.000485 0.483001 C\n0.626315 0.705090 0.456103 C\n0.784591 0.890994 0.532246 C\n0.027905 0.734002 0.280256 C\n0.383795 0.442836 0.751078 N\n0.253443 0.182176 0.561403 N\n0.559052 0.442831 0.251093 N\n0.428725 0.182177 0.061410 N\n0.889377 0.312480 0.656273 O\n0.923104 0.312476 0.156277 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.6015233576478616,
"density_atomic": 0.11504319853087143,
"volume": 278.1563830686863,
"volume_molar": 5.234677787912843,
"formula_full": "H12 C14 N4 O2",
"formula_reduced": "H6C7N2O",
"formula_anonymous": "AB2C6D7",
"energy_above_hull": 5.479195624999999,
"spacegroup": 15
},
{
"id": "jvasp-13998",
"created_at": "2022-09-04T14:36:30.754288Z",
"updated_at": "2022-09-04T14:36:30.754320Z",
"structure_string": "Rb12 As4 Se16\n1.0\n9.648050 -0.000000 0.000000\n0.000000 10.048310 0.000000\n0.000000 0.000000 11.344404\nRb As Se\n12 4 16\ndirect\n0.649028 0.910609 0.250000 Rb\n0.149028 0.589391 0.250000 Rb\n0.850972 0.410609 0.750000 Rb\n0.350972 0.089391 0.750000 Rb\n0.054061 0.807523 0.956969 Rb\n0.554061 0.692477 0.543031 Rb\n0.445939 0.307523 0.043031 Rb\n0.945939 0.192477 0.456969 Rb\n0.945939 0.192477 0.043031 Rb\n0.445939 0.307523 0.456969 Rb\n0.554061 0.692477 0.956969 Rb\n0.054061 0.807523 0.543031 Rb\n0.729040 0.474299 0.250000 As\n0.270960 0.525701 0.750000 As\n0.770960 0.974299 0.750000 As\n0.229040 0.025701 0.250000 As\n0.309083 0.756945 0.750000 Se\n0.809083 0.743055 0.750000 Se\n0.148111 0.469408 0.576099 Se\n0.851889 0.530592 0.076100 Se\n0.351889 0.969408 0.423900 Se\n0.648111 0.030592 0.923900 Se\n0.989261 0.085378 0.750000 Se\n0.489261 0.414622 0.750000 Se\n0.010739 0.914622 0.250000 Se\n0.648111 0.030592 0.576099 Se\n0.148111 0.469408 0.923900 Se\n0.851889 0.530592 0.423900 Se\n0.351889 0.969408 0.076100 Se\n0.690917 0.243055 0.250000 Se\n0.510739 0.585378 0.250000 Se\n0.190917 0.256945 0.250000 Se\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Rb",
"As",
"Se"
],
"chemical_system": "As-Rb-Se",
"density": 3.9084976546357804,
"density_atomic": 0.029096163166401894,
"volume": 1099.8013661454595,
"volume_molar": 20.697370734275797,
"formula_full": "Rb12 As4 Se16",
"formula_reduced": "Rb3AsSe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.6295844020833333,
"spacegroup": 62
},
{
"id": "jvasp-60762",
"created_at": "2022-09-04T14:35:48.540984Z",
"updated_at": "2022-09-04T14:35:48.541011Z",
"structure_string": "Co4 H8 Se4 O16\n1.0\n0.000000 5.637244 -0.026631\n4.742396 0.000000 0.000000\n0.000000 -2.976344 -12.852007\nCo H Se O\n4 8 4 16\ndirect\n0.239308 0.822225 0.235753 Co\n0.760692 0.322225 0.264247 Co\n0.239308 0.677776 0.735753 Co\n0.760692 0.177776 0.764247 Co\n0.283106 0.283976 0.128884 H\n-0.007843 0.819151 0.896520 H\n0.716894 0.783976 0.371116 H\n0.007844 0.319151 0.603481 H\n-0.007843 0.680850 0.396520 H\n0.283107 0.216025 0.628884 H\n0.007843 0.180850 0.103481 H\n0.716894 0.716025 0.871117 H\n0.332734 0.258346 0.904356 Se\n0.332734 0.241654 0.404356 Se\n0.667266 0.758346 0.595644 Se\n0.667266 0.741655 0.095644 Se\n0.308336 0.592546 0.377908 O\n0.517776 0.396417 0.821907 O\n0.065900 0.106548 0.321319 O\n0.177057 0.382245 0.607215 O\n0.308336 0.907455 0.877908 O\n0.934100 0.606548 0.178681 O\n0.065900 0.393452 0.821319 O\n0.691664 0.092546 0.122092 O\n0.934100 0.893453 0.678681 O\n0.482224 0.603584 0.178093 O\n0.691664 0.407455 0.622092 O\n0.517776 0.103584 0.321907 O\n0.177056 0.117755 0.107215 O\n0.482224 0.896417 0.678094 O\n0.822943 0.617755 0.392785 O\n0.822944 0.882246 0.892786 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Co",
"H",
"Se",
"O"
],
"chemical_system": "Co-H-O-Se",
"density": 3.9375860175164568,
"density_atomic": 0.09303353020801906,
"volume": 343.9620094867877,
"volume_molar": 6.473086366318409,
"formula_full": "Co4 H8 Se4 O16",
"formula_reduced": "CoH2SeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.723962283333333,
"spacegroup": 14
},
{
"id": "jvasp-97507",
"created_at": "2022-09-04T14:35:59.614177Z",
"updated_at": "2022-09-04T14:35:59.614201Z",
"structure_string": "H12 N4 O16\n1.0\n5.024245 0.000000 0.000000\n0.000000 9.219114 0.000000\n0.000000 0.000000 6.121268\nH N O\n12 4 16\ndirect\n0.704600 0.377220 0.624651 H\n0.204601 0.622780 0.375349 H\n0.204601 0.877220 0.875349 H\n0.704600 0.122780 0.124651 H\n0.596081 0.327620 0.118175 H\n0.398951 0.229808 -0.023226 H\n0.096082 0.672379 -0.118175 H\n0.898950 0.770191 0.023226 H\n0.096082 0.827620 0.381825 H\n0.898950 0.729808 0.523226 H\n0.596081 0.172379 0.618175 H\n0.398951 0.270192 0.476774 H\n0.537436 0.910069 0.708186 N\n0.037437 0.089931 0.291814 N\n0.037437 0.410069 0.791814 N\n0.537436 0.589930 0.208186 N\n0.019056 0.771017 0.896509 O\n0.519056 0.228982 0.103492 O\n0.024975 0.219170 0.344238 O\n0.524974 0.780830 0.655762 O\n0.524974 0.719169 0.155762 O\n0.024975 0.280830 0.844238 O\n0.213896 0.003970 0.351988 O\n0.713896 -0.003970 0.648012 O\n0.213896 0.496029 0.851988 O\n0.850658 0.034886 0.157393 O\n0.350658 0.965114 0.842607 O\n0.350658 0.534886 0.342607 O\n0.850658 0.465114 0.657393 O\n0.019056 0.728982 0.396509 O\n0.713896 0.503970 0.148012 O\n0.519056 0.271017 0.603492 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"H",
"N",
"O"
],
"chemical_system": "H-N-O",
"density": 1.8982065295928832,
"density_atomic": 0.11286222034236856,
"volume": 283.5315476066988,
"volume_molar": 5.335834029963066,
"formula_full": "H12 N4 O16",
"formula_reduced": "H3NO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.19556340625,
"spacegroup": 33
},
{
"id": "jvasp-21527",
"created_at": "2022-09-04T14:35:59.617067Z",
"updated_at": "2022-09-04T14:35:59.617103Z",
"structure_string": "Tl8 As8 S16\n1.0\n0.000000 6.151125 -0.048607\n11.504529 0.000000 0.000000\n0.000000 -3.304576 -12.008150\nTl As S\n8 8 16\ndirect\n0.838008 0.316165 0.942682 Tl\n0.161990 0.816165 0.557318 Tl\n0.161991 0.683835 0.057318 Tl\n0.838008 0.183835 0.442682 Tl\n0.271927 0.060302 0.898941 Tl\n0.728071 0.560302 0.601059 Tl\n0.728071 0.939698 0.101059 Tl\n0.271928 0.439698 0.398941 Tl\n0.226315 0.165789 0.192843 As\n0.773684 0.665789 0.307157 As\n0.455134 0.589291 0.861548 As\n0.773684 0.834211 0.807157 As\n0.544865 0.410710 0.138453 As\n0.455134 0.910710 0.361548 As\n0.226315 0.334211 0.692843 As\n0.544865 0.089291 0.638453 As\n0.192038 0.061335 0.649651 S\n0.807960 0.561335 0.850349 S\n0.807961 0.938665 0.350349 S\n0.715332 0.681441 0.125022 S\n0.715332 0.818559 0.625022 S\n0.284667 0.318559 0.874979 S\n0.586287 0.290934 0.668109 S\n0.413711 0.709066 0.331891 S\n0.737647 0.039444 0.822551 S\n0.262352 0.539444 0.677449 S\n0.262352 0.960557 0.177449 S\n0.737647 0.460556 0.322551 S\n0.413711 0.790934 0.831891 S\n0.192038 0.438665 0.149651 S\n0.586288 0.209066 0.168109 S\n0.284667 0.181441 0.374979 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Tl",
"As",
"S"
],
"chemical_system": "As-S-Tl",
"density": 5.3572339134701465,
"density_atomic": 0.037575699758308725,
"volume": 851.6142135962265,
"volume_molar": 16.026689585916195,
"formula_full": "Tl8 As8 S16",
"formula_reduced": "TlAsS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2859010875,
"spacegroup": 14
},
{
"id": "jvasp-97929",
"created_at": "2022-09-04T14:35:52.936208Z",
"updated_at": "2022-09-04T14:35:52.936227Z",
"structure_string": "Ca4 Be4 P4 O16 F4\n1.0\n4.740154 0.000000 -0.055337\n0.000000 7.698695 0.000000\n-0.095413 0.000000 9.766301\nCa Be P O F\n4 4 4 16 4\ndirect\n0.004587 0.887737 0.670487 Ca\n0.995413 0.112263 0.329512 Ca\n0.004587 0.612262 0.170487 Ca\n0.995413 0.387737 0.829512 Ca\n0.452939 0.914328 0.161293 Be\n0.547061 0.414329 0.338706 Be\n0.547061 0.085671 0.838706 Be\n0.452939 0.585671 0.661293 Be\n0.476228 0.228576 0.581359 P\n0.523772 0.728576 0.918641 P\n0.476228 0.271424 0.081359 P\n0.523772 0.771423 0.418641 P\n0.336892 0.108873 0.146649 O\n0.315411 0.845456 0.306103 O\n0.684588 0.154543 0.693897 O\n0.654612 0.217299 0.957033 O\n0.654612 0.282701 0.457033 O\n0.345387 0.782701 0.042966 O\n0.246779 0.099370 0.539040 O\n0.753221 0.599370 0.960960 O\n0.663107 0.608872 0.353351 O\n0.315412 0.654543 0.806103 O\n0.345388 0.717299 0.542966 O\n0.684588 0.345456 0.193897 O\n0.663107 0.891127 0.853351 O\n0.336893 0.391127 0.646649 O\n0.246779 0.400629 0.039040 O\n0.753221 0.900629 0.460960 O\n0.214525 0.407454 0.326491 F\n0.214525 0.092546 0.826491 F\n0.785475 0.592546 0.673509 F\n0.785474 0.907453 0.173509 F\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Ca",
"Be",
"P",
"O",
"F"
],
"chemical_system": "Be-Ca-F-O-P",
"density": 3.0392487708469917,
"density_atomic": 0.08979658940560538,
"volume": 356.3609733044322,
"volume_molar": 6.706424820655916,
"formula_full": "Ca4 Be4 P4 O16 F4",
"formula_reduced": "CaBePO4F",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 1.6291682878125,
"spacegroup": 14
},
{
"id": "jvasp-97339",
"created_at": "2022-09-04T14:35:52.850225Z",
"updated_at": "2022-09-04T14:35:52.850249Z",
"structure_string": "Dy8 Si4 Se4 O16\n1.0\n6.030173 -0.000000 0.000000\n0.000000 6.947244 0.000000\n0.000000 0.000000 10.807581\nDy Si Se O\n8 4 4 16\ndirect\n0.131350 0.471976 0.250000 Dy\n0.868650 0.971975 0.250000 Dy\n0.868650 0.528024 0.750000 Dy\n0.392631 0.750000 0.000000 Dy\n0.392631 0.750000 0.500000 Dy\n0.607368 0.250000 0.000000 Dy\n0.607368 0.250000 0.500000 Dy\n0.131350 0.028024 0.750000 Dy\n0.111889 0.250000 0.000000 Si\n0.888111 0.750000 0.000000 Si\n0.888111 0.750000 0.500000 Si\n0.111889 0.250000 0.500000 Si\n0.421970 0.122973 0.250000 Se\n0.421970 0.377026 0.750000 Se\n0.578030 0.622973 0.250000 Se\n0.578030 0.877026 0.750000 Se\n0.275796 0.431767 0.032142 O\n0.944609 0.241084 0.120914 O\n0.944609 0.258916 0.879086 O\n0.944609 0.258916 0.620914 O\n0.944609 0.241084 0.379086 O\n0.055390 0.741083 0.379086 O\n0.055390 0.741083 0.120914 O\n0.275796 0.431767 0.467858 O\n0.275796 0.068233 0.532142 O\n0.724204 0.931766 0.032142 O\n0.724204 0.568233 0.967858 O\n0.724204 0.568233 0.532142 O\n0.724204 0.931766 0.467858 O\n0.275796 0.068233 0.967858 O\n0.055390 0.758916 0.620914 O\n0.055390 0.758916 0.879086 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Dy",
"Si",
"Se",
"O"
],
"chemical_system": "Dy-O-Se-Si",
"density": 7.277088865279108,
"density_atomic": 0.07067717056825745,
"volume": 452.76288995037737,
"volume_molar": 8.52063079432988,
"formula_full": "Dy8 Si4 Se4 O16",
"formula_reduced": "Dy2SiSeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.071242370833333,
"spacegroup": 57
},
{
"id": "jvasp-98983",
"created_at": "2022-09-04T14:35:51.190264Z",
"updated_at": "2022-09-04T14:35:51.190290Z",
"structure_string": "Tb8 Si4 Se4 O16\n1.0\n6.061404 0.000000 0.000000\n0.000000 6.982388 0.000000\n0.000000 0.000000 10.848455\nTb Si Se O\n8 4 4 16\ndirect\n0.131841 0.028470 0.250000 Tb\n0.868159 0.528470 0.250000 Tb\n0.868159 0.971530 0.750000 Tb\n0.607384 0.250000 0.000000 Tb\n0.607384 0.250000 0.500000 Tb\n0.392616 0.750000 0.000000 Tb\n0.392616 0.750000 0.500000 Tb\n0.131841 0.471530 0.750000 Tb\n0.111873 0.250000 0.500000 Si\n0.888127 0.750000 0.500000 Si\n0.888127 0.750000 0.000000 Si\n0.111873 0.250000 0.000000 Si\n0.422628 0.377035 0.250000 Se\n0.422628 0.122965 0.750000 Se\n0.577371 0.877036 0.250000 Se\n0.577371 0.622965 0.750000 Se\n0.275195 0.068829 0.467799 O\n0.945268 0.259463 0.379383 O\n0.945268 0.240537 0.620618 O\n0.945268 0.240537 0.879383 O\n0.945268 0.259463 0.120617 O\n0.054732 0.759463 0.120617 O\n0.054732 0.759463 0.379383 O\n0.275195 0.068829 0.032201 O\n0.275195 0.431171 0.967799 O\n0.724804 0.568830 0.467799 O\n0.724804 0.931171 0.532201 O\n0.724804 0.931171 0.967799 O\n0.724804 0.568830 0.032201 O\n0.275195 0.431171 0.532201 O\n0.054732 0.740537 0.879383 O\n0.054732 0.740537 0.620618 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Tb",
"Si",
"Se",
"O"
],
"chemical_system": "O-Se-Si-Tb",
"density": 7.072590563313916,
"density_atomic": 0.06969552229926913,
"volume": 459.13996974717514,
"volume_molar": 8.640642269873844,
"formula_full": "Tb8 Si4 Se4 O16",
"formula_reduced": "Tb2SiSeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.078185345833333,
"spacegroup": 57
},
{
"id": "jvasp-98736",
"created_at": "2022-09-04T14:36:00.204870Z",
"updated_at": "2022-09-04T14:36:00.204899Z",
"structure_string": "Nd20 Ir12\n1.0\n6.590318 -0.000000 0.000000\n0.000000 11.226961 -0.000000\n-0.000000 0.000000 11.226961\nNd Ir\n20 12\ndirect\n0.118055 0.042096 0.340158 Nd\n0.500000 0.750000 0.250000 Nd\n0.500000 0.250000 0.750000 Nd\n0.000000 0.250000 0.750000 Nd\n0.000000 0.750000 0.250000 Nd\n0.618055 0.159842 0.457904 Nd\n0.618055 0.042096 0.159842 Nd\n0.618055 0.457904 0.340158 Nd\n0.881945 0.542096 0.840157 Nd\n0.881945 0.659842 0.542096 Nd\n0.618055 0.340158 0.042096 Nd\n0.881945 0.957904 0.659842 Nd\n0.381945 0.659842 0.957904 Nd\n0.381945 0.840157 0.542096 Nd\n0.381945 0.957904 0.840157 Nd\n0.381945 0.542096 0.659842 Nd\n0.118055 0.457904 0.159842 Nd\n0.118055 0.340158 0.457904 Nd\n0.118055 0.159842 0.042096 Nd\n0.881945 0.840157 0.957904 Nd\n0.118939 0.750000 0.750000 Ir\n0.381061 0.250000 0.250000 Ir\n0.750000 0.096303 0.903697 Ir\n0.750000 0.596303 0.096303 Ir\n0.750000 0.903697 0.403697 Ir\n0.250000 0.096303 0.596303 Ir\n0.250000 0.903697 0.096303 Ir\n0.250000 0.403697 0.903697 Ir\n0.250000 0.596303 0.403697 Ir\n0.618939 0.750000 0.750000 Ir\n0.750000 0.403697 0.596303 Ir\n0.881061 0.250000 0.250000 Ir\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Nd",
"Ir"
],
"chemical_system": "Ir-Nd",
"density": 10.377828087348187,
"density_atomic": 0.038522918276573476,
"volume": 830.6743474172312,
"volume_molar": 15.63261826833659,
"formula_full": "Nd20 Ir12",
"formula_reduced": "Nd5Ir3",
"formula_anonymous": "A3B5",
"energy_above_hull": 3.1216626,
"spacegroup": 130
},
{
"id": "jvasp-98448",
"created_at": "2022-09-04T14:35:56.160410Z",
"updated_at": "2022-09-04T14:35:56.160435Z",
"structure_string": "He8 Si8 O16\n1.0\n7.641598 0.000000 -4.983695\n0.000000 5.099516 0.000000\n-0.686376 0.000000 10.428008\nHe Si O\n8 8 16\ndirect\n0.609638 0.749663 0.070928 He\n0.390362 0.249662 0.429072 He\n0.390362 0.250338 0.929072 He\n0.609637 0.750339 0.570928 He\n0.109434 0.249535 0.070478 He\n0.890566 0.749535 0.429522 He\n0.890565 0.750466 0.929522 He\n0.109434 0.250466 0.570478 He\n0.125348 0.750803 0.812224 Si\n0.125348 0.749198 0.312224 Si\n0.874652 0.249198 0.187776 Si\n0.874652 0.250803 0.687776 Si\n0.374657 0.750152 0.687556 Si\n0.374657 0.749849 0.187556 Si\n0.625343 0.249849 0.312444 Si\n0.625343 0.250152 0.812444 Si\n0.959910 0.539275 0.210227 O\n0.040090 0.039275 0.289772 O\n0.460388 0.039772 0.709708 O\n0.539612 0.539772 0.790292 O\n0.539612 0.960229 0.290292 O\n0.460388 0.460229 0.209708 O\n0.749681 0.169630 0.000026 O\n0.250319 0.830371 -0.000027 O\n0.749681 0.330371 0.500026 O\n0.750373 0.251461 0.750484 O\n0.249627 0.751461 0.749516 O\n0.249627 0.748540 0.249516 O\n0.750373 0.248540 0.250484 O\n0.959909 0.960726 0.710227 O\n0.250319 0.669630 0.499973 O\n0.040090 0.460726 0.789772 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"He",
"Si",
"O"
],
"chemical_system": "He-O-Si",
"density": 2.189014723627119,
"density_atomic": 0.08227924511595593,
"volume": 388.9194651081507,
"volume_molar": 7.319149259953725,
"formula_full": "He8 Si8 O16",
"formula_reduced": "HeSiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3256472375,
"spacegroup": 167
},
{
"id": "jvasp-98039",
"created_at": "2022-09-04T14:35:55.654731Z",
"updated_at": "2022-09-04T14:35:55.654761Z",
"structure_string": "Ho20 Co4 Sb8\n1.0\n7.809479 -0.000000 0.000000\n-0.000000 8.698904 0.000000\n0.000000 0.000000 12.072102\nHo Co Sb\n20 4 8\ndirect\n0.153968 0.750000 0.797202 Ho\n0.322129 0.461673 0.564774 Ho\n0.822129 0.538327 0.935226 Ho\n0.677871 0.961673 0.435226 Ho\n0.177871 0.038327 0.064774 Ho\n0.177871 0.461673 0.064774 Ho\n0.322129 0.038327 0.564774 Ho\n0.822129 0.961673 0.935226 Ho\n0.879122 0.750000 0.192854 Ho\n0.379122 0.250000 0.307146 Ho\n0.677871 0.538327 0.435226 Ho\n0.620878 0.750000 0.692854 Ho\n0.048439 0.750000 0.502108 Ho\n0.548439 0.250000 0.997891 Ho\n0.951561 0.250000 0.497892 Ho\n0.451561 0.750000 0.002108 Ho\n0.346032 0.750000 0.297202 Ho\n0.846032 0.250000 0.202798 Ho\n0.653968 0.250000 0.702798 Ho\n0.120878 0.250000 0.807146 Ho\n0.069613 0.750000 0.010197 Co\n0.569613 0.250000 0.489803 Co\n0.930387 0.250000 0.989803 Co\n0.430387 0.750000 0.510196 Co\n0.928477 0.508422 0.673185 Sb\n0.928477 0.991577 0.673185 Sb\n0.428477 0.008422 0.826815 Sb\n0.071523 0.491577 0.326815 Sb\n0.571523 0.508422 0.173185 Sb\n0.071523 0.008422 0.326815 Sb\n0.571523 0.991577 0.173185 Sb\n0.428477 0.491577 0.826815 Sb\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Ho",
"Co",
"Sb"
],
"chemical_system": "Co-Ho-Sb",
"density": 9.128593968436084,
"density_atomic": 0.03901939062396186,
"volume": 820.1050679748124,
"volume_molar": 15.433712991667775,
"formula_full": "Ho20 Co4 Sb8",
"formula_reduced": "Ho5CoSb2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.8741863666666667,
"spacegroup": 62
}
]
}