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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4021",
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"results": [
{
"id": "jvasp-28518",
"created_at": "2022-09-04T14:36:31.127161Z",
"updated_at": "2022-09-04T14:36:31.127188Z",
"structure_string": "Mo1 W2 Se4 S2\n1.0\n3.281526 -0.001413 -0.001404\n-1.639583 2.839292 -0.133625\n0.013597 -0.988116 19.559144\nMo W Se S\n1 2 4 2\ndirect\n0.220483 0.441493 0.009687 Mo\n0.445385 0.890090 0.680512 W\n0.667442 0.335029 0.350725 W\n0.363295 0.727049 0.437912 Se\n0.524825 0.049861 0.923076 Se\n0.582840 0.166531 0.096403 Se\n0.304908 0.609649 0.263510 Se\n0.752167 0.503352 0.601195 S\n0.805266 0.610139 0.759821 S\n",
"nsites": 9,
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"elements": [
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"density": 7.7071200986811,
"density_atomic": 0.049516976130667655,
"volume": 181.75584826202612,
"volume_molar": 12.161770024301363,
"formula_full": "Mo1 W2 Se4 S2",
"formula_reduced": "MoW2(Se2S)2",
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"spacegroup": 160
},
{
"id": "jvasp-89762",
"created_at": "2022-09-04T14:36:15.044894Z",
"updated_at": "2022-09-04T14:36:15.044928Z",
"structure_string": "Li2 Mg8 H26 Os4\n1.0\n4.719351 0.000000 -0.000000\n-2.359676 4.087066 -0.000000\n0.000000 -0.000000 18.376377\nLi Mg H Os\n2 8 26 4\ndirect\n0.333322 0.666644 0.250000 Li\n0.666678 0.333356 0.750000 Li\n-0.000001 -0.000001 0.350255 Mg\n0.000001 0.000001 0.649745 Mg\n0.000001 0.000001 0.850255 Mg\n-0.000001 -0.000001 0.149745 Mg\n0.333335 0.666670 0.947444 Mg\n0.666665 0.333331 0.052556 Mg\n0.666665 0.333331 0.447444 Mg\n0.333335 0.666670 0.552556 Mg\n0.500006 0.000012 0.161625 H\n-0.000024 0.499986 0.161624 H\n0.500010 0.499986 0.338376 H\n0.500006 0.000012 0.338375 H\n-0.000024 0.499986 0.338376 H\n0.499990 0.500015 0.661624 H\n0.333332 0.666666 0.394997 H\n0.000024 0.500015 0.661624 H\n0.000005 0.000010 0.250000 H\n-0.000005 -0.000010 0.750000 H\n0.500010 0.499986 0.161624 H\n0.666667 0.333335 0.605003 H\n0.499994 -0.000012 0.661625 H\n0.000024 0.500015 0.838376 H\n0.163733 0.836265 0.051208 H\n0.499990 0.500015 0.838376 H\n0.672531 0.836265 0.051208 H\n0.163734 0.327468 0.051208 H\n0.666667 0.333335 0.894997 H\n0.327468 0.163736 0.948792 H\n0.836266 0.672533 0.948793 H\n0.836266 0.163736 0.948792 H\n0.327468 0.163736 0.551208 H\n0.836266 0.672533 0.551208 H\n0.836266 0.163736 0.551208 H\n0.672531 0.836265 0.448792 H\n0.163734 0.327468 0.448793 Os\n0.163733 0.836265 0.448792 Os\n0.499994 -0.000012 0.838375 Os\n0.333332 0.666666 0.105003 Os\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Mg",
"H",
"Os"
],
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"density": 4.663522170569349,
"density_atomic": 0.11285119682644626,
"volume": 354.44905437304277,
"volume_molar": 5.336355244208393,
"formula_full": "Li2 Mg8 H26 Os4",
"formula_reduced": "LiMg4H13Os2",
"formula_anonymous": "AB2C4D13",
"energy_above_hull": 2.6791873100000005,
"spacegroup": 1
},
{
"id": "jvasp-99381",
"created_at": "2022-09-04T14:36:14.431412Z",
"updated_at": "2022-09-04T14:36:14.431451Z",
"structure_string": "Rb2 Nd1 Ag1 Br6\n1.0\n6.932557 -0.000000 4.002514\n2.310852 6.536077 4.002514\n-0.000000 -0.000000 8.005027\nRb Nd Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Ag\n0.752279 0.247722 0.247721 Br\n0.247721 0.247722 0.752279 Br\n0.247721 0.752279 0.752278 Br\n0.247721 0.752279 0.247721 Br\n0.752279 0.247722 0.752278 Br\n0.752279 0.752279 0.247721 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Nd",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Nd-Rb",
"density": 4.131505784545889,
"density_atomic": 0.027569354003743673,
"volume": 362.7215929195181,
"volume_molar": 21.843604892527573,
"formula_full": "Rb2 Nd1 Ag1 Br6",
"formula_reduced": "Rb2NdAgBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-96526",
"created_at": "2022-09-04T14:36:14.669759Z",
"updated_at": "2022-09-04T14:36:14.669786Z",
"structure_string": "Sn2 Se4 Cl16 O4\n1.0\n6.395350 -0.055065 -0.364717\n-0.085332 6.395018 -0.364717\n0.200539 0.201491 16.287215\nSn Se Cl O\n2 4 16 4\ndirect\n0.197541 0.802460 0.750000 Sn\n0.802459 0.197541 0.250000 Sn\n0.091431 0.227169 0.869136 Se\n0.772831 0.908570 0.630863 Se\n0.908570 0.772832 0.130864 Se\n0.227169 0.091431 0.369136 Se\n0.107794 0.435769 0.258738 Cl\n0.826590 0.706897 0.520087 Cl\n0.641414 0.376679 0.362455 Cl\n0.706896 0.826591 0.020087 Cl\n0.293104 0.173410 0.979912 Cl\n0.810828 0.319542 0.933003 Cl\n0.358586 0.623322 0.637544 Cl\n0.376679 0.641414 0.862455 Cl\n0.173410 0.293104 0.479912 Cl\n0.564232 0.892206 0.241262 Cl\n0.435769 0.107795 0.758738 Cl\n0.892206 0.564232 0.741262 Cl\n0.189173 0.680459 0.066996 Cl\n0.680459 0.189173 0.566996 Cl\n0.319542 0.810828 0.433003 Cl\n0.623321 0.358587 0.137544 Cl\n0.988901 0.018580 0.162365 O\n0.018580 0.988902 0.662365 O\n0.981421 0.011099 0.337635 O\n0.011099 0.981421 0.837635 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-O-Se-Sn",
"density": 2.9489369584395457,
"density_atomic": 0.03898096809486458,
"volume": 666.9921572169801,
"volume_molar": 15.448925602218091,
"formula_full": "Sn2 Se4 Cl16 O4",
"formula_reduced": "SnSe2(Cl4O)2",
"formula_anonymous": "AB2C2D8",
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"spacegroup": 15
},
{
"id": "jvasp-42645",
"created_at": "2022-09-04T14:36:10.799926Z",
"updated_at": "2022-09-04T14:36:10.799955Z",
"structure_string": "Li2 Co6 O2 F10\n1.0\n5.958807 -0.011053 -0.039958\n-0.247698 6.057440 -0.016483\n-0.189469 -0.268933 6.103568\nLi Co O F\n2 6 2 10\ndirect\n0.506637 0.499502 0.494190 Li\n0.995228 0.988763 0.986642 Li\n0.277347 0.100152 0.561497 Co\n0.928955 0.455041 0.756030 Co\n0.409743 0.727529 0.910160 Co\n0.562535 0.239062 0.103037 Co\n0.067621 0.577849 0.235722 Co\n0.750356 0.948974 0.426944 Co\n0.541295 0.169444 0.401756 O\n0.091017 0.668937 0.940179 O\n0.080573 0.934958 0.323017 F\n0.314563 0.087772 0.904843 F\n0.928030 0.102882 0.694735 F\n0.591937 0.440545 0.816628 F\n0.181147 0.419356 0.528770 F\n0.817359 0.616632 0.461550 F\n0.452168 0.800365 0.599008 F\n0.907563 0.289355 0.097727 F\n0.417697 0.540187 0.197677 F\n0.678227 0.892707 0.059892 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.444827647930938,
"density_atomic": 0.09081938054982389,
"volume": 220.21731351743716,
"volume_molar": 6.630898298955287,
"formula_full": "Li2 Co6 O2 F10",
"formula_reduced": "LiCo3OF5",
"formula_anonymous": "ABC3D5",
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"spacegroup": 1
},
{
"id": "jvasp-91391",
"created_at": "2022-09-04T14:36:13.136218Z",
"updated_at": "2022-09-04T14:36:13.136235Z",
"structure_string": "Li2 Fe2 Si4 O12\n1.0\n5.106368 0.002878 1.361254\n1.534667 6.146494 0.727836\n0.032237 0.024351 6.376732\nLi Fe Si O\n2 2 4 12\ndirect\n0.750001 0.261343 0.738656 Li\n0.250001 0.738656 0.261344 Li\n0.750001 0.915339 0.084660 Fe\n0.250001 0.084660 0.915339 Fe\n0.758035 0.795881 0.607577 Si\n0.241967 0.204119 0.392422 Si\n0.258035 0.607577 0.795881 Si\n0.741967 0.392422 0.204119 Si\n0.051992 0.645435 0.636223 O\n0.551993 0.636223 0.645435 O\n0.143411 0.801140 0.975129 O\n0.177547 0.099264 0.637704 O\n0.856591 0.198859 0.024870 O\n0.948009 0.354564 0.363776 O\n0.356591 0.024871 0.198859 O\n0.822455 0.900735 0.362295 O\n0.677547 0.637704 0.099264 O\n0.322455 0.362295 0.900735 O\n0.448009 0.363776 0.354564 O\n0.643411 0.975129 0.801141 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.572880955351662,
"density_atomic": 0.10009793768922282,
"volume": 199.80431626967803,
"volume_molar": 6.016248585157796,
"formula_full": "Li2 Fe2 Si4 O12",
"formula_reduced": "LiFe(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.73781137,
"spacegroup": 15
},
{
"id": "jvasp-101369",
"created_at": "2022-09-04T14:36:22.359018Z",
"updated_at": "2022-09-04T14:36:22.359042Z",
"structure_string": "Mn4 Si2 P8 O28\n1.0\n5.037461 0.000043 -0.000015\n-2.518946 8.331063 -2.016575\n0.000028 -0.010024 12.447651\nMn Si P O\n4 2 8 28\ndirect\n0.092221 0.491566 0.631280 Mn\n0.400814 0.491573 0.131276 Mn\n0.599930 0.507091 0.867870 Mn\n0.908537 0.507083 0.367883 Mn\n0.157813 0.999337 0.749589 Si\n0.842928 0.999323 0.249577 Si\n0.692828 0.730205 0.586639 P\n0.038825 0.730210 0.086634 P\n0.488337 0.240795 0.629541 P\n0.753859 0.240796 0.129550 P\n0.512437 0.757851 0.369617 P\n0.246866 0.757869 0.869615 P\n0.307941 0.268437 0.412523 P\n0.961894 0.268446 0.912526 P\n0.484039 0.275101 0.114310 O\n0.130788 0.818124 0.987241 O\n0.312001 0.180522 0.511915 O\n0.609420 0.621618 0.299641 O\n-0.012916 0.377039 0.199516 O\n0.391361 0.377039 0.699506 O\n0.013643 0.621635 0.799641 O\n0.033307 0.130816 0.826702 O\n0.792462 0.275102 0.614301 O\n0.901888 0.867822 0.672463 O\n0.967394 0.867831 0.172458 O\n0.098885 0.130817 0.326698 O\n0.779578 0.591204 0.046544 O\n0.187712 0.407443 0.452615 O\n0.221151 0.407446 0.952610 O\n0.813057 0.591197 0.546551 O\n0.282828 0.695168 0.132949 O\n0.586983 0.303477 0.366204 O\n0.717899 0.303492 0.866206 O\n0.413783 0.695168 0.632955 O\n0.869919 0.180538 0.011921 O\n0.688789 0.818112 0.487241 O\n0.387292 0.081697 0.672158 O\n0.304957 0.916985 0.827017 O\n0.613464 0.916959 0.327010 O\n0.695793 0.081684 0.172154 O\n0.516676 0.723555 0.884861 O\n0.208316 0.723535 0.384867 O\n",
"nsites": 42,
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"elements": [
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],
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"density": 3.0893260653867665,
"density_atomic": 0.08041430520536995,
"volume": 522.2951301106971,
"volume_molar": 7.488892361402695,
"formula_full": "Mn4 Si2 P8 O28",
"formula_reduced": "Mn2Si(P2O7)2",
"formula_anonymous": "AB2C4D14",
"energy_above_hull": 3.350836861083744,
"spacegroup": 15
},
{
"id": "jvasp-99568",
"created_at": "2022-09-04T14:36:10.939061Z",
"updated_at": "2022-09-04T14:36:10.939070Z",
"structure_string": "K2 In1 Sb1 Br6\n1.0\n7.080973 -0.000000 4.088202\n2.360324 6.676005 4.088202\n-0.000000 -0.000000 8.176403\nK In Sb Br\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n0.757011 0.242989 0.242989 Br\n0.242989 0.242989 0.757011 Br\n0.242988 0.757012 0.757011 Br\n0.242988 0.757012 0.242989 Br\n0.757011 0.242989 0.757011 Br\n0.757010 0.757012 0.242989 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Sb",
"Br"
],
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"density": 3.4119788784485863,
"density_atomic": 0.02587188781655504,
"volume": 386.5199196481189,
"volume_molar": 23.27677362664862,
"formula_full": "K2 In1 Sb1 Br6",
"formula_reduced": "K2InSbBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-91267",
"created_at": "2022-09-04T14:36:09.188389Z",
"updated_at": "2022-09-04T14:36:09.188413Z",
"structure_string": "Ba1 Sm2 Ni1 O5\n1.0\n3.638036 0.000000 -1.067852\n-0.751969 5.253537 -2.561861\n0.021092 0.015217 6.802946\nBa Sm Ni O\n1 2 1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.798427 0.298428 0.596854 Sm\n0.201574 0.701574 0.403148 Sm\n0.499999 0.500000 0.000000 Ni\n-0.000000 0.500000 0.000000 O\n0.353590 0.595386 0.707182 O\n0.646410 0.404618 0.292820 O\n0.646410 0.888204 0.292820 O\n0.353592 0.111798 0.707182 O\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "Ba-Ni-O-Sm",
"density": 7.350258137797379,
"density_atomic": 0.06907452200794205,
"volume": 130.29406123092966,
"volume_molar": 8.718324188052415,
"formula_full": "Ba1 Sm2 Ni1 O5",
"formula_reduced": "BaSm2NiO5",
"formula_anonymous": "ABC2D5",
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"spacegroup": 71
},
{
"id": "jvasp-97448",
"created_at": "2022-09-04T14:36:14.398992Z",
"updated_at": "2022-09-04T14:36:14.399028Z",
"structure_string": "Sb4 S4 Br12 F24\n1.0\n8.038151 0.000000 0.000000\n0.000000 9.036977 0.000000\n0.000000 0.000000 12.546583\nSb S Br F\n4 4 12 24\ndirect\n0.313699 0.965518 0.185355 Sb\n0.686301 0.465518 0.314645 Sb\n0.186301 0.034483 0.685355 Sb\n0.813699 0.534483 0.814645 Sb\n0.644629 0.024956 0.476025 S\n0.355371 0.524956 0.023975 S\n0.144629 0.475045 0.523975 S\n0.855371 0.975045 0.976024 S\n0.208996 0.315360 0.399089 Br\n0.708996 0.184640 0.600910 Br\n0.640395 0.813041 0.562250 Br\n0.791004 0.815360 0.100910 Br\n0.133188 0.503558 0.127549 Br\n0.859605 0.186960 0.062250 Br\n0.866812 0.003558 0.372451 Br\n0.633188 0.996443 0.872451 Br\n0.140395 0.686960 0.437750 Br\n0.366812 0.496442 0.627549 Br\n0.291004 0.684640 0.899089 Br\n0.359605 0.313041 0.937750 Br\n0.220216 0.155345 0.222906 F\n0.302230 0.027851 0.551325 F\n0.900720 0.726375 0.850937 F\n0.400720 0.773626 0.149063 F\n0.619663 0.625178 0.750470 F\n0.802230 0.472149 0.448674 F\n0.002009 0.437720 0.875965 F\n0.697770 0.527851 0.948674 F\n0.497991 0.562280 0.375965 F\n0.119663 0.874822 0.249530 F\n0.921748 0.548090 0.678793 F\n0.720216 0.344655 0.777094 F\n0.880337 0.374822 0.250470 F\n0.197770 0.972150 0.051326 F\n0.779783 0.655345 0.277094 F\n0.421748 0.951911 0.321207 F\n0.279784 0.844655 0.722906 F\n0.099280 0.226375 0.649062 F\n0.599280 0.273625 0.350937 F\n0.380337 0.125178 0.749530 F\n0.078252 0.048089 0.821207 F\n0.578251 0.451911 0.178793 F\n-0.002009 0.937720 0.624035 F\n0.502009 0.062280 0.124035 F\n",
"nsites": 44,
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"elements": [
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],
"chemical_system": "Br-F-S-Sb",
"density": 3.698825112613739,
"density_atomic": 0.04827784490806591,
"volume": 911.3911377731943,
"volume_molar": 12.473922088833474,
"formula_full": "Sb4 S4 Br12 F24",
"formula_reduced": "SbS(BrF2)3",
"formula_anonymous": "ABC3D6",
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"spacegroup": 19
},
{
"id": "jvasp-15680",
"created_at": "2022-09-04T14:36:14.327586Z",
"updated_at": "2022-09-04T14:36:14.327614Z",
"structure_string": "Na2 Ti2 Sb2 O1\n1.0\n4.028380 -0.000000 -0.984308\n-0.240509 4.021194 -0.984308\n0.020728 0.022004 8.820260\nNa Ti Sb O\n2 2 2 1\ndirect\n0.682652 0.682651 0.365305 Na\n0.317348 0.317347 0.634694 Na\n-0.000000 0.500000 -0.000000 Ti\n0.500000 0.000000 -0.000000 Ti\n0.122082 0.122081 0.244164 Sb\n0.877918 0.877917 0.755836 Sb\n0.500000 0.500000 -0.000000 O\n",
"nsites": 7,
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"elements": [
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],
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"density": 4.65745575416106,
"density_atomic": 0.04893291655408258,
"volume": 143.05298954055448,
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"formula_full": "Na2 Ti2 Sb2 O1",
"formula_reduced": "Na2Ti2Sb2O",
"formula_anonymous": "AB2C2D2",
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"spacegroup": 139
},
{
"id": "jvasp-62476",
"created_at": "2022-09-04T14:36:16.005500Z",
"updated_at": "2022-09-04T14:36:16.005526Z",
"structure_string": "Dy6 Al2 Ni2 S14\n1.0\n0.000000 9.490284 0.000299\n6.185334 0.000000 0.000000\n0.000000 -4.744843 -8.218912\nDy Al Ni S\n6 2 2 14\ndirect\n0.623816 0.228455 0.783519 Dy\n0.216480 0.228458 0.840294 Dy\n0.159710 0.228453 0.376189 Dy\n0.376184 0.728455 0.216481 Dy\n0.783520 0.728458 0.159706 Dy\n0.840290 0.728453 0.623810 Dy\n0.333332 0.656052 0.666669 Al\n0.666668 0.156053 0.333330 Al\n0.000001 0.055917 -0.000001 Ni\n-0.000001 0.555916 0.000001 Ni\n0.563019 0.002031 0.476365 S\n0.913340 0.002029 0.436977 S\n0.523636 0.002028 0.086659 S\n0.436981 0.502030 0.523634 S\n0.086660 0.502029 0.563022 S\n0.476364 0.502028 0.913341 S\n0.130875 0.820655 0.897060 S\n0.869125 0.320655 0.102940 S\n0.233814 0.320657 0.130874 S\n0.102937 0.820657 0.233815 S\n0.333335 0.017607 0.666667 S\n0.766186 0.820657 0.869126 S\n0.897062 0.320657 0.766185 S\n0.666665 0.517606 0.333333 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Dy",
"Al",
"Ni",
"S"
],
"chemical_system": "Al-Dy-Ni-S",
"density": 5.4907509271942745,
"density_atomic": 0.04974649025506079,
"volume": 482.4460957335265,
"volume_molar": 12.105659573415549,
"formula_full": "Dy6 Al2 Ni2 S14",
"formula_reduced": "Dy3AlNiS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.9127370583333327,
"spacegroup": 173
}
]
}