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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1297",
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"results": [
{
"id": "jvasp-35261",
"created_at": "2022-09-04T14:38:04.922540Z",
"updated_at": "2022-09-04T14:38:04.922554Z",
"structure_string": "Na8 Zn8 Se12\n1.0\n-0.017196 0.017032 7.051452\n-0.018851 9.691575 3.460184\n-9.691309 -0.074382 3.460184\nNa Zn Se\n8 8 12\ndirect\n0.749999 0.569001 0.431000 Na\n0.249999 0.431000 0.569001 Na\n0.749999 0.281371 0.718629 Na\n0.249999 0.718629 0.281371 Na\n0.646280 0.975352 0.806889 Na\n0.853718 0.193111 0.024649 Na\n0.353718 0.024649 0.193112 Na\n0.146280 0.806889 0.975351 Na\n0.261074 0.083055 0.549185 Zn\n0.238925 0.450815 0.916945 Zn\n0.761074 0.549185 0.083055 Zn\n0.738924 0.916945 0.450815 Zn\n0.201646 0.792717 0.637047 Zn\n0.701645 0.637047 0.792717 Zn\n0.798353 0.207283 0.362954 Zn\n0.298353 0.362953 0.207283 Zn\n0.441597 0.227590 0.991809 Se\n0.568683 0.424118 0.276554 Se\n0.931315 0.723446 0.575882 Se\n0.431316 0.575882 0.723446 Se\n0.068683 0.276554 0.424118 Se\n0.552793 0.147835 0.583805 Se\n0.947205 0.416195 0.852165 Se\n0.447205 0.852165 0.416195 Se\n0.052793 0.583805 0.147835 Se\n0.558402 0.772410 0.008191 Se\n0.941597 0.991809 0.227591 Se\n0.058402 0.008191 0.772410 Se\n",
"nsites": 28,
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"elements": [
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"Zn",
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],
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"density": 4.155895971582138,
"density_atomic": 0.042349829856335015,
"volume": 661.1596810420607,
"volume_molar": 14.219988085971405,
"formula_full": "Na8 Zn8 Se12",
"formula_reduced": "Na2Zn2Se3",
"formula_anonymous": "A2B2C3",
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"spacegroup": 15
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{
"id": "jvasp-70590",
"created_at": "2022-09-04T14:35:45.715172Z",
"updated_at": "2022-09-04T14:35:45.715203Z",
"structure_string": "Be2 Si1 Te1\n1.0\n-1.773899 1.773899 5.514020\n1.773899 -1.773899 5.514020\n1.773899 1.773899 -5.514020\nBe Si Te\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Si\n0.750000 0.250000 0.500000 Te\n",
"nsites": 4,
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"elements": [
"Be",
"Si",
"Te"
],
"chemical_system": "Be-Si-Te",
"density": 4.156114192317489,
"density_atomic": 0.057633352794333,
"volume": 69.40425649491823,
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"formula_full": "Be2 Si1 Te1",
"formula_reduced": "Be2SiTe",
"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-8592",
"created_at": "2022-09-04T14:37:00.202346Z",
"updated_at": "2022-09-04T14:37:00.202374Z",
"structure_string": "Rb2 Te1 Br6\n1.0\n6.584772 0.000000 3.801720\n2.194924 6.208183 3.801720\n0.000000 0.000000 7.603440\nRb Te Br\n2 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Te\n0.253771 0.746228 0.746228 Br\n0.253771 0.746228 0.253772 Br\n0.746228 0.253772 0.746228 Br\n0.746228 0.253772 0.253772 Br\n0.746227 0.746228 0.253772 Br\n0.253772 0.253772 0.746228 Br\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Te",
"Br"
],
"chemical_system": "Br-Rb-Te",
"density": 4.156145723080482,
"density_atomic": 0.028955237669026627,
"volume": 310.8245942538847,
"volume_molar": 20.79810509185312,
"formula_full": "Rb2 Te1 Br6",
"formula_reduced": "Rb2TeBr6",
"formula_anonymous": "AB2C6",
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"spacegroup": 225
},
{
"id": "jvasp-63733",
"created_at": "2022-09-04T14:36:02.726225Z",
"updated_at": "2022-09-04T14:36:02.726256Z",
"structure_string": "Na4 Ag2 As2\n1.0\n3.683345 -4.392959 0.000000\n3.683345 4.392959 0.000000\n0.000000 0.000000 5.648574\nNa Ag As\n4 2 2\ndirect\n0.969227 0.325540 0.749963 Na\n0.030774 0.674462 0.249963 Na\n0.325540 0.969227 0.750036 Na\n0.674462 0.030774 0.250036 Na\n0.500008 0.499993 0.000000 Ag\n0.499993 0.500008 0.500000 Ag\n0.790569 0.790569 0.750000 As\n0.209432 0.209432 0.250000 As\n",
"nsites": 8,
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"elements": [
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"density": 4.156315841037504,
"density_atomic": 0.04376446459818001,
"volume": 182.796706722026,
"volume_molar": 13.760343729305985,
"formula_full": "Na4 Ag2 As2",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-89041",
"created_at": "2022-09-04T14:35:51.176333Z",
"updated_at": "2022-09-04T14:35:51.176349Z",
"structure_string": "Ba4 Mg8 V8 O32\n1.0\n7.664694 0.000075 3.694616\n3.832401 8.837261 1.847374\n-0.004786 0.000074 9.808018\nBa Mg V O\n4 8 8 32\ndirect\n0.375001 0.249999 0.750002 Ba\n0.124998 0.749999 0.250000 Ba\n0.624998 0.750000 0.249999 Ba\n0.875001 0.250000 0.750001 Ba\n0.957159 0.249998 0.085680 Mg\n0.042841 0.750001 0.914320 Mg\n0.457158 0.585679 0.749998 Mg\n0.792840 0.914318 0.750002 Mg\n0.707159 0.749998 0.585681 Mg\n0.542841 0.414320 0.250002 Mg\n0.292840 0.250001 0.414319 Mg\n0.207159 0.085681 0.249999 Mg\n0.750000 0.081344 0.418656 V\n0.250000 0.418652 0.081348 V\n0.668653 0.081348 0.081346 V\n0.168653 0.581345 0.581348 V\n0.250000 0.918655 0.581345 V\n0.750000 0.581347 0.918653 V\n0.831346 0.418654 0.418653 V\n0.331346 0.918651 0.918655 V\n0.957654 0.733495 0.585756 O\n0.776910 0.414242 0.266505 O\n0.543411 0.233495 0.414244 O\n0.191148 0.266507 0.085757 O\n0.457654 0.085755 0.233497 O\n0.276910 0.766504 0.914243 O\n0.349647 0.585368 0.411108 O\n0.223089 0.585756 0.733495 O\n0.346123 0.914631 0.088891 O\n0.260757 0.088889 0.585367 O\n0.935014 0.411107 0.914632 O\n0.150352 0.088892 0.914632 O\n0.564985 0.585368 0.088892 O\n0.239242 0.914633 0.411110 O\n0.153877 0.411109 0.585369 O\n0.650352 0.414631 0.588893 O\n0.653876 0.085368 0.911110 O\n0.739242 0.911110 0.414634 O\n0.043411 0.914243 0.733495 O\n0.064986 0.588892 0.085368 O\n0.435014 0.414631 0.911108 O\n0.760757 0.085366 0.588890 O\n0.846123 0.588890 0.414631 O\n0.723089 0.233495 0.085757 O\n0.042345 0.266504 0.414244 O\n0.308851 0.414242 0.233493 O\n0.956588 0.085756 0.266505 O\n0.542345 0.914244 0.766504 O\n0.808851 0.733492 0.914243 O\n0.456588 0.766504 0.585757 O\n0.849647 0.911107 0.085368 O\n0.691148 0.585757 0.766507 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"V",
"O"
],
"chemical_system": "Ba-Mg-O-V",
"density": 4.156381420537027,
"density_atomic": 0.0782544942272059,
"volume": 664.4985762609621,
"volume_molar": 7.695584540505977,
"formula_full": "Ba4 Mg8 V8 O32",
"formula_reduced": "BaMg2V2O8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.236509266923077,
"spacegroup": 142
},
{
"id": "jvasp-35114",
"created_at": "2022-09-04T14:37:39.802137Z",
"updated_at": "2022-09-04T14:37:39.802153Z",
"structure_string": "Ba3 Si2 B6 O16\n1.0\n-5.067115 0.016197 -0.004090\n-0.337755 -7.585098 -0.011060\n1.834066 1.815775 8.204284\nBa Si B O\n3 2 6 16\ndirect\n0.500000 -0.000001 0.500000 Ba\n0.379663 0.418862 0.233461 Ba\n0.620338 0.581137 0.766538 Ba\n0.759074 0.173755 0.940783 Si\n0.240927 0.826244 0.059216 Si\n0.021711 0.908482 0.751785 B\n0.978290 0.091517 0.248215 B\n0.968979 0.306717 0.525232 B\n0.815927 0.757688 0.203488 B\n0.184074 0.242311 0.796512 B\n0.031022 0.693282 0.474768 B\n0.299207 0.674536 0.493777 O\n0.866645 0.943409 0.295451 O\n0.133356 0.056590 0.704548 O\n0.472267 0.274850 0.888693 O\n0.527734 0.725149 0.111306 O\n0.700794 0.325463 0.506222 O\n0.905208 0.770916 0.603602 O\n0.855673 0.636283 0.320466 O\n0.996109 0.704809 0.083975 O\n0.003892 0.295190 0.916025 O\n0.144328 0.363716 0.679533 O\n0.221771 0.029100 0.173582 O\n0.216262 0.823164 0.865951 O\n0.783739 0.176835 0.134049 O\n0.094793 0.229083 0.396397 O\n0.778230 0.970899 0.826417 O\n",
"nsites": 27,
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"elements": [
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"Si",
"B",
"O"
],
"chemical_system": "B-Ba-O-Si",
"density": 4.156442796900931,
"density_atomic": 0.08565541976445883,
"volume": 315.21648103816966,
"volume_molar": 7.0306593284582535,
"formula_full": "Ba3 Si2 B6 O16",
"formula_reduced": "Ba3Si2(B3O8)2",
"formula_anonymous": "A2B3C6D16",
"energy_above_hull": 3.2602209855555557,
"spacegroup": 2
},
{
"id": "jvasp-102093",
"created_at": "2022-09-04T14:36:38.612198Z",
"updated_at": "2022-09-04T14:36:38.612227Z",
"structure_string": "Rb2 Li1 Y1 I6\n1.0\n7.226104 -0.000000 4.171993\n2.408702 6.812836 4.171993\n-0.000000 -0.000000 8.343985\nRb Li Y I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.746506 0.253494 0.253494 I\n0.253493 0.253494 0.746507 I\n0.253493 0.746507 0.746506 I\n0.253493 0.746507 0.253493 I\n0.746506 0.253494 0.746507 I\n0.746506 0.746507 0.253493 I\n",
"nsites": 10,
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"elements": [
"Rb",
"Li",
"Y",
"I"
],
"chemical_system": "I-Li-Rb-Y",
"density": 4.156472920282219,
"density_atomic": 0.024344134730197396,
"volume": 410.77656325963466,
"volume_molar": 24.737542848585644,
"formula_full": "Rb2 Li1 Y1 I6",
"formula_reduced": "Rb2LiYI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-2814",
"created_at": "2022-09-04T14:36:53.192361Z",
"updated_at": "2022-09-04T14:36:53.192383Z",
"structure_string": "Na4 Ag2 As2\n1.0\n5.649283 0.000000 0.000000\n0.000000 5.643829 -1.003605\n0.000000 0.003700 5.732366\nNa Ag As\n4 2 2\ndirect\n0.250070 0.674427 0.030744 Na\n0.750070 0.325574 0.969256 Na\n0.249929 0.030744 0.674427 Na\n0.749929 0.969256 0.325573 Na\n0.500000 0.499980 0.500020 Ag\n0.000000 0.500020 0.499980 Ag\n0.750000 0.790581 0.790580 As\n0.250000 0.209420 0.209419 As\n",
"nsites": 8,
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"elements": [
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],
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"density": 4.1564826867498486,
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"volume": 182.78936906443283,
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"formula_full": "Na4 Ag2 As2",
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},
{
"id": "jvasp-112818",
"created_at": "2022-09-04T14:38:43.615381Z",
"updated_at": "2022-09-04T14:38:43.615395Z",
"structure_string": "Na4 Co2 O6\n1.0\n5.107849 -0.007550 0.826778\n-2.753376 4.302220 0.826778\n-0.000898 -0.001638 5.564386\nNa Co O\n4 2 6\ndirect\n0.842967 0.157033 0.500001 Na\n0.157032 0.842967 0.500001 Na\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Na\n0.332752 0.667248 0.000000 Co\n0.667248 0.332752 0.000000 Co\n0.690633 0.690634 0.801164 O\n0.932359 0.553319 0.198111 O\n0.553318 0.932359 0.198111 O\n0.067640 0.446681 0.801890 O\n0.446681 0.067640 0.801890 O\n0.309366 0.309366 0.198837 O\n",
"nsites": 12,
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],
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"density": 4.156535811195474,
"density_atomic": 0.09821891667868853,
"volume": 122.17605738064256,
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"formula_full": "Na4 Co2 O6",
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"spacegroup": 12
},
{
"id": "jvasp-119953",
"created_at": "2022-09-04T14:38:52.293145Z",
"updated_at": "2022-09-04T14:38:52.293172Z",
"structure_string": "Ba1 Mg1 Sb1\n1.0\n3.429776 0.000000 -0.000000\n-0.000000 3.429776 0.000000\n-0.000000 0.000000 9.623765\nBa Mg Sb\n1 1 1\ndirect\n0.000000 0.000000 0.341692 Ba\n0.000000 0.000000 0.701318 Mg\n0.000000 0.000000 -0.005446 Sb\n",
"nsites": 3,
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"volume": 113.20784506913243,
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"spacegroup": 99
},
{
"id": "jvasp-67608",
"created_at": "2022-09-04T14:36:06.581190Z",
"updated_at": "2022-09-04T14:36:06.581218Z",
"structure_string": "Be1 In1 Cl1\n1.0\n-1.518819 1.518819 6.895826\n1.518819 -1.518819 6.895826\n1.518819 1.518819 -6.895826\nBe In Cl\n1 1 1\ndirect\n0.973443 0.973443 0.000000 Be\n0.633083 0.633083 0.000000 In\n0.393475 0.393475 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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"In",
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],
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"density": 4.156814954268868,
"density_atomic": 0.04714796213048581,
"volume": 63.6294733523637,
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"formula_full": "Be1 In1 Cl1",
"formula_reduced": "BeInCl",
"formula_anonymous": "ABC",
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"spacegroup": 107
},
{
"id": "jvasp-119967",
"created_at": "2022-09-04T14:38:54.053044Z",
"updated_at": "2022-09-04T14:38:54.053066Z",
"structure_string": "Ba2 Se1\n1.0\n4.604289 0.576321 0.454824\n-3.715804 -8.460516 0.544500\n0.120741 2.255434 -4.080668\nBa Se\n2 1\ndirect\n0.522301 0.603729 0.521611 Ba\n0.522388 0.103692 0.521861 Ba\n0.022455 0.103730 0.021891 Se\n",
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"elements": [
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"density": 4.156843546540877,
"density_atomic": 0.021237646385508784,
"volume": 141.25859078466476,
"volume_molar": 28.355970575483003,
"formula_full": "Ba2 Se1",
"formula_reduced": "Ba2Se",
"formula_anonymous": "AB2",
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"spacegroup": 123
}
]
}