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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=424",
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"results": [
{
"id": "jvasp-4204",
"created_at": "2022-09-04T14:38:17.227380Z",
"updated_at": "2022-09-04T14:38:17.227397Z",
"structure_string": "Pd8 Br16\n1.0\n3.963941 0.000000 0.000000\n0.000000 6.642314 0.033801\n0.000000 1.323632 25.079975\nPd Br\n8 16\ndirect\n0.750000 0.624999 0.875000 Pd\n0.250000 0.375000 0.125000 Pd\n0.750000 0.625000 0.375000 Pd\n0.750000 0.125000 0.875000 Pd\n0.250000 0.874999 0.625000 Pd\n0.250000 0.874999 0.125000 Pd\n0.750000 0.125000 0.375000 Pd\n0.250000 0.375000 0.625000 Pd\n0.570052 0.360511 0.941952 Br\n0.070052 0.639488 0.558048 Br\n0.429948 0.639489 0.058048 Br\n0.929948 0.360511 0.441952 Br\n0.570052 0.389488 0.808048 Br\n0.429948 0.139489 0.558048 Br\n0.929948 0.860510 0.941952 Br\n0.929948 0.889488 0.808048 Br\n0.429948 0.110511 0.691952 Br\n0.070052 0.110511 0.191952 Br\n0.570052 0.889488 0.308048 Br\n0.929948 0.389489 0.308048 Br\n0.429948 0.610511 0.191952 Br\n0.070052 0.610511 0.691952 Br\n0.070052 0.139489 0.058048 Br\n0.570052 0.860510 0.441952 Br\n",
"nsites": 24,
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"elements": [
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"volume": 660.1718939490933,
"volume_molar": 16.565200296488467,
"formula_full": "Pd8 Br16",
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"formula_anonymous": "AB2",
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"spacegroup": 15
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{
"id": "jvasp-55275",
"created_at": "2022-09-04T14:38:10.621719Z",
"updated_at": "2022-09-04T14:38:10.621742Z",
"structure_string": "Sr12 Ga2 N10\n1.0\n3.341383 -5.787447 0.000000\n3.341383 5.787447 -0.000000\n-0.000000 0.000000 13.022189\nSr Ga N\n12 2 10\ndirect\n0.594213 0.594213 0.876166 Sr\n0.594213 0.594213 0.623834 Sr\n-0.000000 0.405786 0.623834 Sr\n-0.000000 0.594214 0.123834 Sr\n0.405786 0.405786 0.123834 Sr\n0.594214 -0.000000 0.376166 Sr\n0.594214 -0.000000 0.123834 Sr\n0.405786 -0.000000 0.623834 Sr\n-0.000000 0.594214 0.376166 Sr\n-0.000000 0.405786 0.876166 Sr\n0.405786 -0.000000 0.876166 Sr\n0.405786 0.405786 0.376166 Sr\n0.000000 0.000000 0.750000 Ga\n0.000000 0.000000 0.250000 Ga\n0.666667 0.333332 0.000000 N\n0.286311 -0.000000 0.250000 N\n0.333332 0.666667 0.000000 N\n0.286310 0.286310 0.750000 N\n0.713689 0.713689 0.250000 N\n-0.000000 0.286311 0.250000 N\n0.713689 -0.000001 0.750000 N\n0.666667 0.333332 0.500000 N\n-0.000001 0.713689 0.750000 N\n0.333332 0.666667 0.500000 N\n",
"nsites": 24,
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"elements": [
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"Ga",
"N"
],
"chemical_system": "Ga-N-Sr",
"density": 4.388181088239101,
"density_atomic": 0.0476523108531313,
"volume": 503.64818768118414,
"volume_molar": 12.63766783222912,
"formula_full": "Sr12 Ga2 N10",
"formula_reduced": "Sr6GaN5",
"formula_anonymous": "AB5C6",
"energy_above_hull": 2.165834702916666,
"spacegroup": 193
},
{
"id": "jvasp-55301",
"created_at": "2022-09-04T14:38:10.308627Z",
"updated_at": "2022-09-04T14:38:10.308663Z",
"structure_string": "Ca4 Co2 Si4 O14\n1.0\n7.850408 0.000000 0.000000\n0.000000 7.850408 0.000000\n0.000000 -0.000000 5.032450\nCa Co Si O\n4 2 4 14\ndirect\n0.167898 0.332102 0.497741 Ca\n0.832102 0.667899 0.497741 Ca\n0.667899 0.167898 0.502259 Ca\n0.332102 0.832102 0.502259 Ca\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.858509 0.358509 0.933953 Si\n0.641491 0.858509 0.066047 Si\n0.358509 0.141491 0.066047 Si\n0.141491 0.641491 0.933953 Si\n0.000000 0.500000 0.816145 O\n0.500000 0.000000 0.183855 O\n0.642024 0.857976 0.745491 O\n0.857976 0.357976 0.254509 O\n0.082409 0.815420 0.776362 O\n0.184580 0.082409 0.223638 O\n0.315420 0.582409 0.776362 O\n0.917591 0.184580 0.776362 O\n0.582409 0.684580 0.223638 O\n0.417591 0.315420 0.223638 O\n0.357976 0.142024 0.745491 O\n0.684580 0.417591 0.776362 O\n0.815420 0.917591 0.223638 O\n0.142024 0.642024 0.254509 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Co",
"Si",
"O"
],
"chemical_system": "Ca-Co-O-Si",
"density": 3.2901487489010117,
"density_atomic": 0.07738331248143879,
"volume": 310.1443868244417,
"volume_molar": 7.782221472419489,
"formula_full": "Ca4 Co2 Si4 O14",
"formula_reduced": "Ca2CoSi2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.3672586200000003,
"spacegroup": 113
},
{
"id": "jvasp-42904",
"created_at": "2022-09-04T14:38:12.629855Z",
"updated_at": "2022-09-04T14:38:12.629880Z",
"structure_string": "Li4 V2 Si2 C2 O14\n1.0\n0.000000 5.009857 0.013137\n6.297722 0.000000 0.000000\n0.000000 -0.445989 -8.426669\nLi V Si C O\n4 2 2 2 14\ndirect\n0.754092 0.487081 0.219852 Li\n0.754092 0.012919 0.219852 Li\n0.245908 0.512919 0.780147 Li\n0.245908 0.987080 0.780147 Li\n0.189991 0.250000 0.341635 V\n0.810009 0.750000 0.658365 V\n0.300454 0.750000 0.422009 Si\n0.699546 0.250000 0.577991 Si\n0.265197 0.250000 0.049624 C\n0.734803 0.750000 0.950376 C\n0.534531 0.750000 0.842479 O\n0.801524 0.040872 0.678880 O\n0.801524 0.459128 0.678880 O\n0.170211 0.750000 0.597321 O\n0.372058 0.250000 0.549434 O\n0.627942 0.750000 0.450566 O\n0.029216 0.250000 0.109670 O\n0.198476 0.540871 0.321119 O\n0.198476 0.959128 0.321119 O\n0.465470 0.250000 0.157521 O\n0.970785 0.750000 0.890329 O\n0.702167 0.750000 0.097710 O\n0.829790 0.250000 0.402678 O\n0.297833 0.250000 0.902290 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
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"C",
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],
"chemical_system": "C-Li-O-Si-V",
"density": 2.7099745113681113,
"density_atomic": 0.09028316354955238,
"volume": 265.8302950009885,
"volume_molar": 6.670281061534488,
"formula_full": "Li4 V2 Si2 C2 O14",
"formula_reduced": "Li2VSiCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 3.0423731083333334,
"spacegroup": 11
},
{
"id": "jvasp-44768",
"created_at": "2022-09-04T14:38:10.877099Z",
"updated_at": "2022-09-04T14:38:10.877115Z",
"structure_string": "Na12 Ni4 O8\n1.0\n0.000000 5.719251 -0.068504\n8.722446 0.000000 0.000000\n0.000000 -2.909499 -7.273126\nNa Ni O\n12 4 8\ndirect\n0.266495 0.284131 0.189969 Na\n0.236477 0.966891 0.372914 Na\n0.255014 0.536989 0.498100 Na\n0.266495 0.215870 0.689969 Na\n0.236477 0.533110 0.872914 Na\n0.255014 0.963012 -0.001901 Na\n0.733505 0.715870 0.810031 Na\n0.763522 0.466891 0.127086 Na\n0.733505 0.784131 0.310031 Na\n0.744986 0.463012 0.501900 Na\n0.763522 0.033110 0.627086 Na\n0.744986 0.036989 0.001900 Na\n0.200607 0.822596 0.670372 Ni\n0.799393 0.322596 0.829629 Ni\n0.200607 0.677405 0.170371 Ni\n0.799393 0.177404 0.329628 Ni\n0.445818 0.960118 0.724393 O\n0.445818 0.539883 0.224392 O\n0.554182 0.039883 0.275607 O\n0.034441 0.179710 0.888652 O\n0.965559 0.679710 0.611348 O\n0.034441 0.320290 0.388652 O\n0.965559 0.820290 0.111348 O\n0.554182 0.460117 0.775608 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
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],
"chemical_system": "Na-Ni-O",
"density": 2.908940202177661,
"density_atomic": 0.06583195011616369,
"volume": 364.56462185383884,
"volume_molar": 9.147747787166622,
"formula_full": "Na12 Ni4 O8",
"formula_reduced": "Na3NiO2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.4859360666666669,
"spacegroup": 14
},
{
"id": "jvasp-57317",
"created_at": "2022-09-04T14:38:12.783811Z",
"updated_at": "2022-09-04T14:38:12.783837Z",
"structure_string": "Ba2 Tb4 Mn4 O14\n1.0\n5.516159 0.002468 0.000015\n0.003124 5.601981 -0.000163\n0.001696 2.800567 9.906744\nTb Ba Mn O\n4 2 4 14\ndirect\n0.734436 0.541741 0.365659 Tb\n0.265565 0.458259 0.634341 Tb\n0.265574 0.092600 0.365659 Tb\n0.734426 0.907401 0.634341 Tb\n0.747020 0.742450 0.000003 Ba\n0.252980 0.257550 -0.000003 Ba\n0.753613 0.349200 0.793458 Mn\n0.246384 0.857349 0.793459 Mn\n0.246388 0.650801 0.206543 Mn\n0.753616 0.142652 0.206542 Mn\n0.000000 0.393512 0.212968 O\n-0.000000 0.606488 0.787032 O\n0.726978 0.530367 0.580492 O\n0.759587 0.222846 -0.000004 O\n0.273023 0.469634 0.419509 O\n0.500003 0.399186 0.201625 O\n0.499998 0.600815 0.798376 O\n0.000000 0.875672 0.248649 O\n0.273026 0.889139 0.580489 O\n0.726974 0.110861 0.419512 O\n0.240413 0.777153 0.000005 O\n0.500005 0.882370 0.235251 O\n-0.000000 0.124328 0.751351 O\n0.499996 0.117630 0.764750 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Ba-Mn-O-Tb",
"density": 7.3449147704542295,
"density_atomic": 0.07839681693005228,
"volume": 306.13487817258493,
"volume_molar": 7.681613866253159,
"formula_full": "Ba2 Tb4 Mn4 O14",
"formula_reduced": "BaTb2Mn2O7",
"formula_anonymous": "AB2C2D7",
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"spacegroup": 12
},
{
"id": "jvasp-44355",
"created_at": "2022-09-04T14:38:06.344895Z",
"updated_at": "2022-09-04T14:38:06.344922Z",
"structure_string": "Li6 Mn2 Al4 O12\n1.0\n5.245438 0.006461 -0.023450\n-0.063217 -5.849733 -0.018561\n-1.383712 -0.017504 -7.642574\nLi Mn Al O\n6 2 4 12\ndirect\n0.164753 0.835406 0.082481 Li\n-0.002565 0.660380 0.756978 Li\n0.328914 0.654203 0.401113 Li\n0.671087 0.345796 0.598887 Li\n0.002565 0.339619 0.243022 Li\n0.835247 0.164593 0.917519 Li\n0.504860 0.829136 0.738988 Mn\n0.495140 0.170863 0.261011 Mn\n0.328485 0.332700 0.915239 Al\n0.159259 0.176193 0.582383 Al\n0.840741 0.823806 0.417617 Al\n0.671515 0.667299 0.084761 Al\n0.474665 0.170057 0.757607 O\n0.171152 0.860133 0.577592 O\n0.525335 0.829942 0.242392 O\n0.801330 0.822131 0.914391 O\n0.679475 0.680196 0.573675 O\n0.975458 0.677036 0.251463 O\n0.345720 0.647377 0.921256 O\n0.654280 0.352622 0.078743 O\n0.024542 0.322963 0.748536 O\n0.320525 0.319803 0.426325 O\n0.198670 0.177868 0.085608 O\n0.828848 0.139866 0.422407 O\n",
"nsites": 24,
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"elements": [
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"Al",
"O"
],
"chemical_system": "Al-Li-Mn-O",
"density": 3.194110796244719,
"density_atomic": 0.10226124574153787,
"volume": 234.69301421047868,
"volume_molar": 5.888976529017428,
"formula_full": "Li6 Mn2 Al4 O12",
"formula_reduced": "Li3MnAl2O6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.2387278201149425,
"spacegroup": 2
},
{
"id": "jvasp-44786",
"created_at": "2022-09-04T14:38:11.172373Z",
"updated_at": "2022-09-04T14:38:11.172395Z",
"structure_string": "Li4 Mn2 Fe2 B4 O12\n1.0\n5.184448 0.007013 0.042159\n2.579349 4.497277 -0.042159\n-0.129544 0.223288 10.172443\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.327078 0.656247 0.333562 Li\n0.343754 0.672922 0.833562 Li\n0.653995 0.335560 0.587108 Li\n0.664441 0.346006 0.087108 Li\n0.329238 0.006804 0.115326 Mn\n0.993197 0.670763 0.615326 Mn\n0.678538 0.003613 0.866973 Fe\n0.996388 0.321463 0.366973 Fe\n0.664061 0.000325 0.372885 B\n0.998256 0.668979 0.124240 B\n-0.000325 0.335940 0.872884 B\n0.331021 0.001745 0.624240 B\n0.752506 0.935668 0.084623 O\n0.064332 0.247495 0.584623 O\n0.257788 0.065660 0.897466 O\n0.016943 0.586456 0.839347 O\n0.577133 0.034551 0.652614 O\n0.274354 0.644854 0.138202 O\n0.355147 0.725646 0.638202 O\n0.644616 0.276384 0.385755 O\n0.723617 0.355384 0.885754 O\n0.413545 0.983058 0.339348 O\n0.965450 0.422867 0.152614 O\n0.934342 0.742212 0.397466 O\n",
"nsites": 24,
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"elements": [
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"Mn",
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"B",
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],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.393778563469228,
"density_atomic": 0.10122596147439701,
"volume": 237.09332715076553,
"volume_molar": 5.949205788994332,
"formula_full": "Li4 Mn2 Fe2 B4 O12",
"formula_reduced": "Li2MnFe(BO3)2",
"formula_anonymous": "ABC2D2E6",
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"spacegroup": 9
},
{
"id": "jvasp-43418",
"created_at": "2022-09-04T14:38:10.926103Z",
"updated_at": "2022-09-04T14:38:10.926127Z",
"structure_string": "K16 O8\n1.0\n6.363450 -0.000000 0.000000\n0.000000 6.575013 0.000000\n0.000000 0.000000 12.773143\nK O\n16 8\ndirect\n0.999459 0.261123 0.020874 K\n0.000541 0.738876 0.979125 K\n0.500541 0.761123 0.979125 K\n0.143729 0.119511 0.795893 K\n0.643729 0.380489 0.795893 K\n0.643729 0.880489 0.704107 K\n0.000541 0.238877 0.520874 K\n0.500541 0.261123 0.520874 K\n0.143729 0.619511 0.704107 K\n0.999459 0.761123 0.479126 K\n0.856271 0.380489 0.295893 K\n0.356271 0.119511 0.295893 K\n0.356271 0.619511 0.204107 K\n0.856271 0.880489 0.204107 K\n0.499459 0.238877 0.020874 K\n0.499459 0.738876 0.479126 K\n0.264781 0.471169 0.885066 O\n0.235219 0.971168 0.114934 O\n0.735219 0.528831 0.114934 O\n0.735219 0.028831 0.385066 O\n0.235219 0.471169 0.385066 O\n0.264781 0.971168 0.614934 O\n0.764781 0.528831 0.614934 O\n0.764781 0.028831 0.885066 O\n",
"nsites": 24,
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"elements": [
"K",
"O"
],
"chemical_system": "K-O",
"density": 2.3414480113100815,
"density_atomic": 0.04490805186378686,
"volume": 534.425320269865,
"volume_molar": 13.409935434888366,
"formula_full": "K16 O8",
"formula_reduced": "K2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0094799999999999,
"spacegroup": 61
},
{
"id": "jvasp-40667",
"created_at": "2022-09-04T14:38:06.117671Z",
"updated_at": "2022-09-04T14:38:06.117698Z",
"structure_string": "V3 Co5 O16\n1.0\n5.600353 -0.028660 -0.025351\n2.707636 4.877722 -0.017123\n0.008207 0.019154 8.645676\nV Co O\n3 5 16\ndirect\n0.148916 0.140479 0.212479 V\n0.824232 0.368498 0.683774 V\n0.292079 0.841452 0.730850 V\n0.660852 0.163476 0.207521 Co\n0.339565 0.333814 0.479389 Co\n0.170384 0.654845 0.207028 Co\n0.833804 0.831083 0.711166 Co\n0.675290 0.667814 0.986292 Co\n0.838805 0.339831 0.100277 O\n0.661397 0.677809 0.585184 O\n0.528021 0.954035 0.837690 O\n0.960187 0.523844 0.841699 O\n0.174929 0.170950 0.608809 O\n0.836927 0.830687 0.102835 O\n0.049889 0.468468 0.340853 O\n0.996173 0.988438 0.332033 O\n0.184703 0.660081 0.601246 O\n-0.014063 0.010064 0.832822 O\n0.524602 0.522827 0.839641 O\n0.334658 0.328022 0.100272 O\n0.482238 0.475121 0.334152 O\n0.674906 0.174406 0.600280 O\n0.475213 0.042084 0.340802 O\n0.346507 0.831655 0.098635 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Co-O-V",
"density": 4.932137645278082,
"density_atomic": 0.10133163204867152,
"volume": 236.84608167045354,
"volume_molar": 5.943001842808029,
"formula_full": "V3 Co5 O16",
"formula_reduced": "V3Co5O16",
"formula_anonymous": "A3B5C16",
"energy_above_hull": 3.549623045833333,
"spacegroup": 1
},
{
"id": "jvasp-54976",
"created_at": "2022-09-04T14:38:10.749855Z",
"updated_at": "2022-09-04T14:38:10.749870Z",
"structure_string": "K8 Cu4 Br12\n1.0\n4.300463 0.000000 0.000000\n0.000000 12.518902 0.000000\n0.000000 0.000000 13.169985\nK Cu Br\n8 4 12\ndirect\n0.250000 0.177680 0.514759 K\n0.250000 0.513724 0.321975 K\n0.749999 0.822320 0.485240 K\n0.749999 0.486276 0.678024 K\n0.749999 0.986275 0.821975 K\n0.250000 0.677679 0.985240 K\n0.749999 0.322320 0.014760 K\n0.250000 0.013724 0.178025 K\n0.250000 0.255280 0.802458 Cu\n0.250000 0.755280 0.697542 Cu\n0.749999 0.744720 0.197542 Cu\n0.749999 0.244720 0.302458 Cu\n0.749999 0.370394 0.447516 Br\n0.749999 0.722322 0.793547 Br\n0.749999 0.222322 0.706452 Br\n0.250000 0.443120 0.862732 Br\n0.250000 0.943120 0.637267 Br\n0.250000 0.777678 0.293547 Br\n0.250000 0.277678 0.206452 Br\n0.250000 0.629606 0.552484 Br\n0.250000 0.129606 0.947515 Br\n0.749999 0.056880 0.362732 Br\n0.749999 0.870394 0.052484 Br\n0.749999 0.556880 0.137268 Br\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Cu",
"Br"
],
"chemical_system": "Br-Cu-K",
"density": 3.5734294292582347,
"density_atomic": 0.033848895820928045,
"volume": 709.0334682397917,
"volume_molar": 17.79124728871256,
"formula_full": "K8 Cu4 Br12",
"formula_reduced": "K2CuBr3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-44600",
"created_at": "2022-09-04T14:38:28.762475Z",
"updated_at": "2022-09-04T14:38:28.762492Z",
"structure_string": "Na4 V2 B2 As2 O14\n1.0\n0.000000 5.488995 -0.018879\n6.565377 0.000000 0.000000\n0.000000 -0.448235 -9.155905\nNa V B As O\n4 2 2 2 14\ndirect\n0.771149 0.006130 0.206632 Na\n0.771149 0.493871 0.206632 Na\n0.228853 0.506130 0.793368 Na\n0.228853 0.993871 0.793368 Na\n0.218479 0.250000 0.329748 V\n0.781523 0.750000 0.670251 V\n0.288735 0.250000 0.074125 B\n0.711266 0.750000 0.925875 B\n0.280730 0.750000 0.438742 As\n0.719271 0.250000 0.561257 As\n0.534800 0.750000 0.803472 O\n0.807449 0.044121 0.667451 O\n0.807449 0.455879 0.667451 O\n0.128582 0.750000 0.596996 O\n0.406658 0.250000 0.526006 O\n0.593344 0.750000 0.473993 O\n0.058960 0.250000 0.140221 O\n0.192553 0.544121 0.332549 O\n0.192553 0.955880 0.332549 O\n0.465202 0.250000 0.196527 O\n0.941042 0.750000 0.859778 O\n0.664625 0.750000 0.064144 O\n0.871419 0.250000 0.403003 O\n0.335376 0.250000 0.935855 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"V",
"B",
"As",
"O"
],
"chemical_system": "As-B-Na-O-V",
"density": 2.9652260596421276,
"density_atomic": 0.07272510197810457,
"volume": 330.0098500683534,
"volume_molar": 8.280690705408832,
"formula_full": "Na4 V2 B2 As2 O14",
"formula_reduced": "Na2VBAsO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.538644252777778,
"spacegroup": 11
}
]
}