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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4549",
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"results": [
{
"id": "jvasp-76959",
"created_at": "2022-09-04T14:38:11.186030Z",
"updated_at": "2022-09-04T14:38:11.186050Z",
"structure_string": "In1 Cu1 Rh2\n1.0\n-8.557734 0.000000 -4.940810\n-8.380575 -0.200569 4.633961\n-5.551553 7.801110 -0.266047\nIn Cu Rh\n1 1 2\ndirect\n0.500000 -0.000000 -0.000000 In\n0.000000 0.000000 0.000000 Cu\n0.758629 -0.000000 -0.000000 Rh\n0.241371 -0.000000 -0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Cu",
"Rh"
],
"chemical_system": "Cu-In-Rh",
"density": 1.0008019032122013,
"density_atomic": 0.0062752338763350695,
"volume": 637.426441599994,
"volume_molar": 95.96679388652709,
"formula_full": "In1 Cu1 Rh2",
"formula_reduced": "InCuRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.871181605,
"spacegroup": 71
},
{
"id": "jvasp-26790",
"created_at": "2022-09-04T14:38:31.020344Z",
"updated_at": "2022-09-04T14:38:31.020362Z",
"structure_string": "Sr8 Br12 O2\n1.0\n4.938816 -8.554281 -0.000000\n4.938816 8.554281 0.000000\n0.000000 -0.000000 7.546334\nSr Br O\n8 12 2\ndirect\n0.800061 0.600121 0.998559 Sr\n0.399880 0.199940 0.998559 Sr\n0.666667 0.333333 0.583251 Sr\n0.199940 0.800061 0.498560 Sr\n0.600121 0.800061 0.498560 Sr\n0.199940 0.399880 0.498560 Sr\n0.333333 0.666667 0.083251 Sr\n0.800061 0.199940 0.998559 Sr\n0.862604 0.137396 0.611982 Br\n0.466325 0.533675 0.794087 Br\n0.137396 0.274793 0.111982 Br\n0.274793 0.137396 0.611982 Br\n0.932652 0.466326 0.294087 Br\n0.067349 0.533675 0.794087 Br\n0.533675 0.466325 0.294087 Br\n0.725208 0.862605 0.111982 Br\n0.137396 0.862604 0.111982 Br\n0.466326 0.932652 0.794087 Br\n0.533675 0.067349 0.294087 Br\n0.862605 0.725208 0.611982 Br\n0.333333 0.666667 0.398157 O\n0.666667 0.333333 0.898157 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"Br",
"O"
],
"chemical_system": "Br-O-Sr",
"density": 4.405827467505523,
"density_atomic": 0.0345024792441286,
"volume": 637.6353375748732,
"volume_molar": 17.454226165572745,
"formula_full": "Sr8 Br12 O2",
"formula_reduced": "Sr4Br6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-26694",
"created_at": "2022-09-04T14:37:28.051061Z",
"updated_at": "2022-09-04T14:37:28.051092Z",
"structure_string": "Sm6 Si4 S16 Br2\n1.0\n7.606073 -0.000000 -0.000000\n-3.803036 7.735130 -1.193820\n-0.000000 -0.095783 10.854781\nSm Si S Br\n6 4 16 2\ndirect\n0.075198 0.396839 0.681560 Sm\n0.373552 0.000000 0.750000 Sm\n0.626448 0.000000 0.250000 Sm\n0.924802 0.603162 0.318440 Sm\n0.321639 0.396839 0.181560 Sm\n0.678360 0.603162 0.818440 Sm\n0.621694 0.315516 0.524319 Si\n0.306179 0.684485 0.975681 Si\n0.378305 0.684485 0.475681 Si\n0.693820 0.315516 0.024319 Si\n0.600389 0.868442 0.964128 S\n0.898099 0.287003 0.141440 S\n0.399610 0.131558 0.035872 S\n0.268052 0.868442 0.464128 S\n0.388902 0.287003 0.641440 S\n0.147937 0.431622 0.413726 S\n0.451090 0.709903 0.668924 S\n0.258813 0.709903 0.168924 S\n0.716315 0.568378 0.086274 S\n0.741187 0.290097 0.831076 S\n0.283685 0.431622 0.913726 S\n0.101900 0.712998 0.858560 S\n0.852062 0.568378 0.586274 S\n0.548910 0.290097 0.331076 S\n0.731948 0.131558 0.535872 S\n0.611098 0.712998 0.358560 S\n0.986116 0.000000 0.750000 Br\n0.013884 0.000000 0.250000 Br\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Sm",
"Si",
"S",
"Br"
],
"chemical_system": "Br-S-Si-Sm",
"density": 4.39336171292651,
"density_atomic": 0.043903659247427985,
"volume": 637.7600518945429,
"volume_molar": 13.716717155763723,
"formula_full": "Sm6 Si4 S16 Br2",
"formula_reduced": "Sm3Si2S8Br",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.174796995,
"spacegroup": 15
},
{
"id": "jvasp-7066",
"created_at": "2022-09-04T14:36:10.416326Z",
"updated_at": "2022-09-04T14:36:10.416348Z",
"structure_string": "Al12 S18\n1.0\n3.269204 -5.662427 0.000000\n3.269204 5.662427 0.000000\n0.000000 0.000000 17.236578\nAl S\n12 18\ndirect\n0.987726 0.648029 0.549051 Al\n0.012273 0.351970 0.049051 Al\n0.660303 0.012273 0.215718 Al\n0.698336 0.003290 0.850775 Al\n0.301662 0.996709 0.350775 Al\n0.339696 0.987726 0.715718 Al\n0.003290 0.304954 0.684108 Al\n0.648029 0.660303 0.382384 Al\n0.351970 0.339696 0.882384 Al\n0.695045 0.698336 0.017440 Al\n0.996708 0.695045 0.184107 Al\n0.304954 0.301663 0.517441 Al\n0.351034 0.306603 0.662598 S\n0.712295 0.663847 0.873381 S\n0.693396 0.044430 0.995932 S\n0.341590 0.336716 0.014880 S\n0.336153 0.048448 0.206715 S\n0.955568 0.648965 0.329265 S\n0.004874 0.341591 0.181547 S\n0.648965 0.693396 0.162598 S\n0.287704 0.336152 0.373381 S\n-0.004875 0.658409 0.681547 S\n0.336716 -0.004875 0.848213 S\n0.951551 0.287704 0.540048 S\n0.306602 0.955568 0.495932 S\n0.663846 0.951551 0.706715 S\n0.048448 0.712295 0.040048 S\n0.663284 0.004874 0.348213 S\n0.044431 0.351034 0.829265 S\n0.658409 0.663283 0.514880 S\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Al",
"S"
],
"chemical_system": "Al-S",
"density": 2.344354931819302,
"density_atomic": 0.04701057598417001,
"volume": 638.1542742659009,
"volume_molar": 12.810182887416337,
"formula_full": "Al12 S18",
"formula_reduced": "Al2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.68632112,
"spacegroup": 169
},
{
"id": "jvasp-32684",
"created_at": "2022-09-04T14:36:44.169522Z",
"updated_at": "2022-09-04T14:36:44.169543Z",
"structure_string": "Zn1 Sb2 Xe6 F24\n1.0\n8.446112 -0.017361 4.051304\n2.542827 8.054262 4.051304\n-0.023739 -0.017361 9.367460\nZn Sb Xe F\n1 2 6 24\ndirect\n0.000000 0.000000 0.000000 Zn\n0.253525 0.253525 0.253525 Sb\n0.746475 0.746475 0.746475 Sb\n0.786264 0.267649 0.693865 Xe\n0.693865 0.786264 0.267648 Xe\n0.213736 0.732351 0.306134 Xe\n0.306134 0.213736 0.732351 Xe\n0.267649 0.693865 0.786263 Xe\n0.732351 0.306135 0.213736 Xe\n0.871786 0.902012 0.615397 F\n0.615397 0.871786 0.902012 F\n0.097988 0.384602 0.128214 F\n0.627056 0.584729 0.872817 F\n0.117040 0.947482 0.780983 F\n0.384602 0.128214 0.097987 F\n0.780177 0.412933 0.459943 F\n0.415271 0.127183 0.372944 F\n0.219823 0.587067 0.540056 F\n0.902012 0.615398 0.871786 F\n0.219017 0.882960 0.052518 F\n0.459944 0.780177 0.412933 F\n0.540056 0.219823 0.587067 F\n0.780983 0.117040 0.947481 F\n0.412933 0.459943 0.780177 F\n0.127183 0.372944 0.415271 F\n0.584729 0.872817 0.627056 F\n0.128214 0.097988 0.384602 F\n0.372944 0.415271 0.127182 F\n0.882960 0.052518 0.219016 F\n0.872817 0.627056 0.584728 F\n0.052518 0.219016 0.882961 F\n0.947482 0.780984 0.117039 F\n0.587067 0.540057 0.219823 F\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Zn",
"Sb",
"Xe",
"F"
],
"chemical_system": "F-Sb-Xe-Zn",
"density": 4.035760419540174,
"density_atomic": 0.051655553753067456,
"volume": 638.8470861768734,
"volume_molar": 11.658263869918127,
"formula_full": "Zn1 Sb2 Xe6 F24",
"formula_reduced": "ZnSb2(XeF4)6",
"formula_anonymous": "AB2C6D24",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-96782",
"created_at": "2022-09-04T14:35:58.348785Z",
"updated_at": "2022-09-04T14:35:58.348803Z",
"structure_string": "Al4 Ga4 Cl16\n1.0\n7.148255 0.187942 0.000000\n-0.269104 9.413469 0.000000\n0.000000 0.000000 9.492050\nAl Ga Cl\n4 4 16\ndirect\n0.250083 0.682970 0.499777 Al\n0.249918 0.817030 0.999777 Al\n0.749918 0.317030 0.500223 Al\n0.750083 0.182970 0.000223 Al\n0.823792 0.750182 0.749878 Ga\n0.676210 0.749818 0.249878 Ga\n0.176209 0.249818 0.250122 Ga\n0.323791 0.250182 0.750122 Ga\n0.669003 0.053301 0.822175 Cl\n0.830998 0.446699 0.322175 Cl\n0.509029 0.184419 0.456331 Cl\n-0.009029 0.315581 -0.043669 Cl\n0.490972 0.815581 0.543669 Cl\n0.009029 0.684419 0.043669 Cl\n0.830691 0.053485 0.178390 Cl\n0.010020 0.815582 0.455900 Cl\n0.169310 0.946515 0.821610 Cl\n0.330691 0.553486 0.321610 Cl\n0.169003 0.553301 0.677825 Cl\n0.489981 0.684418 0.955900 Cl\n0.989981 0.184418 0.544100 Cl\n0.510020 0.315582 0.044100 Cl\n0.669310 0.446514 0.678390 Cl\n0.330998 0.946699 0.177825 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Al",
"Ga",
"Cl"
],
"chemical_system": "Al-Cl-Ga",
"density": 2.478514919519226,
"density_atomic": 0.03754699564367134,
"volume": 639.1989449106635,
"volume_molar": 16.03894174956459,
"formula_full": "Al4 Ga4 Cl16",
"formula_reduced": "AlGaCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0741235658333333,
"spacegroup": 52
},
{
"id": "jvasp-98540",
"created_at": "2022-09-04T14:35:58.859247Z",
"updated_at": "2022-09-04T14:35:58.859268Z",
"structure_string": "Os8 O16 F24\n1.0\n5.291290 0.000000 -0.899803\n0.000000 9.907858 0.000000\n0.028406 0.000000 12.188423\nOs O F\n8 16 24\ndirect\n0.029115 0.254985 0.496195 Os\n0.352527 0.990734 0.223994 Os\n0.970886 0.745015 0.503805 Os\n0.647473 0.009266 0.776006 Os\n0.352528 0.509266 0.723994 Os\n0.647473 0.490734 0.276006 Os\n0.970886 0.754985 0.003805 Os\n0.029115 0.245015 0.996195 Os\n0.721084 0.834793 0.041130 O\n0.493042 0.663043 0.753130 O\n0.403315 0.073627 0.348942 O\n0.596686 0.926373 0.651058 O\n0.506959 0.336957 0.246870 O\n0.721084 0.665207 0.541130 O\n0.444397 0.931008 0.850784 O\n0.555604 0.068992 0.149216 O\n0.555604 0.431008 0.649216 O\n0.506959 0.163043 0.746870 O\n0.403315 0.426373 0.848942 O\n0.596685 0.573627 0.151058 O\n0.278916 0.334793 0.458870 O\n0.444397 0.568992 0.350784 O\n0.493041 0.836957 0.253130 O\n0.278917 0.165207 0.958870 O\n0.803422 0.415837 0.444797 F\n0.188850 0.406894 0.052764 F\n0.890289 0.661166 0.348573 F\n0.264461 0.699571 0.949365 F\n0.196579 0.584163 0.555203 F\n0.109712 0.338834 0.651427 F\n0.188850 0.093106 0.552763 F\n0.735540 0.300429 0.050635 F\n0.094145 0.835178 0.639320 F\n0.803422 0.084163 0.944797 F\n0.264460 0.800429 0.449365 F\n0.735540 0.199571 0.550635 F\n0.109712 0.161166 0.151427 F\n0.094144 0.664822 0.139320 F\n0.811150 0.906894 0.447237 F\n0.983829 0.434301 0.266879 F\n0.983830 0.065700 0.766879 F\n0.905856 0.335178 0.860680 F\n0.811151 0.593106 0.947237 F\n0.016171 0.565700 0.733121 F\n0.905856 0.164822 0.360680 F\n0.196579 0.915837 0.055203 F\n0.016171 0.934301 0.233121 F\n0.890289 0.838834 0.848573 F\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Os",
"O",
"F"
],
"chemical_system": "F-O-Os",
"density": 5.802710459835608,
"density_atomic": 0.07508968710990929,
"volume": 639.2355841054721,
"volume_molar": 8.019930554758274,
"formula_full": "Os8 O16 F24",
"formula_reduced": "OsO2F3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.6675604745833337,
"spacegroup": 14
},
{
"id": "jvasp-98116",
"created_at": "2022-09-04T14:36:15.338075Z",
"updated_at": "2022-09-04T14:36:15.338094Z",
"structure_string": "Mn40 Si16\n1.0\n8.474242 -0.000000 0.000000\n-0.000000 8.686537 -0.000000\n-0.000000 0.000000 8.686537\nMn Si\n40 16\ndirect\n0.000000 0.866691 0.866691 Mn\n0.848744 0.220925 0.175200 Mn\n0.534847 0.868149 0.042612 Mn\n0.284847 0.542612 0.631851 Mn\n0.329234 0.422076 0.184200 Mn\n0.929449 0.005862 0.399218 Mn\n0.250000 0.633309 0.366691 Mn\n0.679449 0.899218 0.494138 Mn\n0.820551 0.505862 0.100782 Mn\n0.570551 0.600782 0.994138 Mn\n0.420766 0.922076 0.315800 Mn\n0.401256 0.279075 0.675200 Mn\n0.098744 0.324801 0.720926 Mn\n0.429449 0.994138 0.600782 Mn\n0.465153 0.042612 0.868149 Mn\n0.750000 0.366691 0.633309 Mn\n0.348744 0.779075 0.824801 Mn\n0.965153 0.957389 0.131851 Mn\n0.670766 0.184200 0.422076 Mn\n0.651256 0.824801 0.779075 Mn\n0.750000 0.045276 0.954724 Mn\n0.598744 0.675200 0.279075 Mn\n0.000000 0.545276 0.545276 Mn\n0.179449 0.100782 0.505862 Mn\n0.784847 0.457388 0.368149 Mn\n0.250000 0.954724 0.045276 Mn\n0.170766 0.815800 0.577925 Mn\n0.034847 0.131851 0.957389 Mn\n0.151256 0.175200 0.220925 Mn\n0.079234 0.684200 0.077924 Mn\n0.715153 0.631851 0.542612 Mn\n0.901256 0.720926 0.324801 Mn\n0.579234 0.315800 0.922076 Mn\n0.215153 0.368149 0.457388 Mn\n0.070551 0.399218 0.005862 Mn\n0.320551 0.494138 0.899218 Mn\n0.829234 0.577925 0.815800 Mn\n0.920766 0.077924 0.684200 Mn\n0.500000 0.133309 0.133309 Mn\n0.500000 0.454724 0.454724 Mn\n0.298366 0.236105 0.965686 Si\n0.401768 0.195946 0.379892 Si\n0.451634 0.736105 0.534315 Si\n0.701634 0.965686 0.236105 Si\n0.798366 0.763895 0.034315 Si\n0.548366 0.534315 0.736105 Si\n0.098232 0.620108 0.804055 Si\n0.848232 0.304055 0.879893 Si\n0.201634 0.034315 0.763895 Si\n0.048366 0.465685 0.263895 Si\n0.151768 0.879893 0.304055 Si\n0.901768 0.804055 0.620108 Si\n0.348232 0.695946 0.120108 Si\n0.598232 0.379892 0.195946 Si\n0.651768 0.120108 0.695946 Si\n0.951634 0.263895 0.465685 Si\n",
"nsites": 56,
"nelements": 2,
"elements": [
"Mn",
"Si"
],
"chemical_system": "Mn-Si",
"density": 6.8737027614284,
"density_atomic": 0.08757775683814048,
"volume": 639.4317692276376,
"volume_molar": 6.876335929829769,
"formula_full": "Mn40 Si16",
"formula_reduced": "Mn5Si2",
"formula_anonymous": "A2B5",
"energy_above_hull": 4.447666200985221,
"spacegroup": 92
},
{
"id": "jvasp-87993",
"created_at": "2022-09-04T14:36:19.750400Z",
"updated_at": "2022-09-04T14:36:19.750427Z",
"structure_string": "Te12 Br4 O22\n1.0\n6.836997 0.035494 0.000000\n-3.344014 5.963503 -0.000000\n0.000000 0.000000 15.643675\nTe Br O\n12 4 22\ndirect\n0.206475 0.523491 0.086214 Te\n0.081220 0.081220 0.860500 Te\n0.081220 0.081220 0.639500 Te\n0.918781 0.918779 0.139500 Te\n0.523491 0.206474 0.086214 Te\n0.918781 0.918779 0.360500 Te\n0.206475 0.523491 0.413786 Te\n0.793526 0.476508 0.913786 Te\n0.476509 0.793525 0.913786 Te\n0.523491 0.206474 0.413786 Te\n0.476509 0.793525 0.586214 Te\n0.793526 0.476508 0.586214 Te\n0.853740 0.507749 0.250000 Br\n0.146261 0.492250 0.750000 Br\n0.507750 0.853739 0.250000 Br\n0.492251 0.146260 0.750000 Br\n0.582940 0.582939 0.885161 O\n0.183621 0.485114 0.536899 O\n0.816379 0.514885 0.036899 O\n0.938764 0.938763 0.750000 O\n0.417061 0.417060 0.114838 O\n0.061236 0.061236 0.250000 O\n0.194646 0.951011 0.093612 O\n0.805354 0.048988 0.593612 O\n0.951012 0.194645 0.406388 O\n0.048988 0.805354 0.906388 O\n0.805354 0.048988 0.906388 O\n0.194646 0.951011 0.406388 O\n0.048988 0.805354 0.593612 O\n0.951012 0.194645 0.093612 O\n0.514886 0.816379 0.036899 O\n0.485114 0.183620 0.536899 O\n0.816379 0.514885 0.463101 O\n0.183621 0.485114 0.963100 O\n0.485114 0.183620 0.963100 O\n0.514886 0.816379 0.463101 O\n0.582940 0.582939 0.614838 O\n0.417061 0.417060 0.385161 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Te",
"Br",
"O"
],
"chemical_system": "Br-O-Te",
"density": 5.718164773438403,
"density_atomic": 0.05940398025297369,
"volume": 639.6877757715193,
"volume_molar": 10.137604810914231,
"formula_full": "Te12 Br4 O22",
"formula_reduced": "Te6Br2O11",
"formula_anonymous": "A2B6C11",
"energy_above_hull": 2.0574712268421056,
"spacegroup": 63
},
{
"id": "jvasp-26951",
"created_at": "2022-09-04T14:38:19.435519Z",
"updated_at": "2022-09-04T14:38:19.435539Z",
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{
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{
"id": "jvasp-116971",
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"updated_at": "2022-09-04T14:38:46.842837Z",
"structure_string": "Y16 Mg4 Rh4\n1.0\n8.380235 0.000000 4.838331\n2.793412 7.900961 4.838331\n-0.000000 -0.000000 9.676662\nY Mg Rh\n16 4 4\ndirect\n0.596937 0.596937 0.596937 Y\n0.185175 0.185175 0.814825 Y\n0.814824 0.814825 0.185175 Y\n0.185175 0.814825 0.185175 Y\n0.814824 0.185175 0.814825 Y\n0.185175 0.814825 0.814825 Y\n0.062120 0.062120 0.437880 Y\n0.437880 0.437880 0.062120 Y\n0.814824 0.185175 0.185175 Y\n0.437880 0.062120 0.437880 Y\n0.437880 0.062120 0.062120 Y\n0.062119 0.437880 0.437880 Y\n0.209189 0.596937 0.596937 Y\n0.596937 0.209189 0.596937 Y\n0.596937 0.596937 0.209189 Y\n0.062119 0.437880 0.062120 Y\n0.829738 0.829739 0.829739 Mg\n0.829738 0.829739 0.510782 Mg\n0.829738 0.510782 0.829739 Mg\n0.510782 0.829739 0.829739 Mg\n0.391636 0.825091 0.391637 Rh\n0.391636 0.391636 0.391637 Rh\n0.391636 0.391636 0.825091 Rh\n0.825091 0.391636 0.391637 Rh\n",
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}