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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4146",
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"results": [
{
"id": "jvasp-119746",
"created_at": "2022-09-04T14:38:36.997307Z",
"updated_at": "2022-09-04T14:38:36.997325Z",
"structure_string": "Na3 Li3 Mn2 P2 C2 O14\n1.0\n8.820120 0.352744 0.153901\n0.778939 6.603961 -0.168261\n-0.014373 -0.052038 5.124411\nNa Li Mn P C O\n3 3 2 2 2 14\ndirect\n0.090452 0.161957 0.691662 Na\n0.230715 0.545562 0.255413 Na\n0.759267 0.468004 0.740347 Na\n0.307125 0.088973 0.197089 Li\n0.703160 0.918681 0.796369 Li\n0.899342 0.851630 0.315473 Li\n0.361730 0.767539 0.787668 Mn\n0.650626 0.227267 0.212692 Mn\n0.578623 0.744895 0.292261 P\n0.429748 0.255123 0.709415 P\n0.025242 0.766304 0.781796 C\n0.964535 0.226334 0.216942 C\n0.876706 0.180152 0.410061 O\n0.679360 0.900659 0.190459 O\n0.654086 0.533437 0.188428 O\n0.575275 0.752326 0.597417 O\n0.599396 0.206270 0.796136 O\n0.409751 0.799036 0.200520 O\n0.104790 0.250249 0.262917 O\n0.349756 0.462719 0.822973 O\n0.337500 0.091676 0.811574 O\n0.138665 0.793979 0.623635 O\n0.044226 0.762759 0.029572 O\n0.906398 0.241137 -0.010372 O\n0.429266 0.253684 0.404208 O\n0.894264 0.749633 0.675340 O\n",
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"formula_full": "Na3 Li3 Mn2 P2 C2 O14",
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{
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"structure_string": "Na6 V2 O6\n1.0\n5.752193 0.103556 -0.106256\n0.321571 5.877081 -0.056262\n0.051456 2.693282 5.771378\nNa V O\n6 2 6\ndirect\n0.061447 0.769217 0.446350 Na\n0.150190 0.763435 0.979172 Na\n0.425205 0.277419 0.749817 Na\n0.574795 0.722581 0.250183 Na\n0.849810 0.236565 0.020828 Na\n0.938553 0.230783 0.553650 Na\n0.376450 0.199966 0.296007 V\n0.623550 0.800034 0.703993 V\n0.237292 0.090866 0.107770 O\n0.248879 0.465510 0.351646 O\n0.311355 0.948722 0.616799 O\n0.688645 0.051278 0.383201 O\n0.751121 0.534490 0.648354 O\n0.762709 0.909134 0.892230 O\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.07152818209269864,
"volume": 195.72704898128643,
"volume_molar": 8.419255996462295,
"formula_full": "Na6 V2 O6",
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"spacegroup": 2
},
{
"id": "jvasp-113063",
"created_at": "2022-09-04T14:38:44.423854Z",
"updated_at": "2022-09-04T14:38:44.423884Z",
"structure_string": "Rb2 Al2 Si6 O16\n1.0\n7.741951 -0.049935 1.952633\n-3.639965 6.833078 1.952633\n0.021079 0.034856 7.200275\nRb Al Si O\n2 2 6 16\ndirect\n0.286071 0.297962 0.855782 Rb\n0.702038 0.713929 0.144216 Rb\n0.596503 0.834180 0.659533 Al\n0.165820 0.403497 0.340465 Al\n0.800305 0.178731 0.224552 Si\n0.196872 0.811883 0.780146 Si\n0.188117 0.803128 0.219853 Si\n0.400199 0.160070 0.341978 Si\n0.839929 0.599801 0.658020 Si\n0.821269 0.199695 0.775447 Si\n0.968451 0.705885 0.405529 O\n0.337795 0.713977 0.748267 O\n0.738212 0.360015 0.733351 O\n0.353089 0.339604 0.279243 O\n0.660396 0.646911 0.720756 O\n0.706808 0.957582 0.391401 O\n0.294115 0.031548 0.594470 O\n0.326459 0.019179 0.215768 O\n0.152168 0.847832 -0.000000 O\n0.842345 0.157654 -0.000000 O\n0.007576 0.333790 0.213792 O\n0.286023 0.662205 0.251732 O\n0.980820 0.673541 0.784231 O\n0.666210 -0.007576 0.786207 O\n0.042418 0.293191 0.608597 O\n0.639985 0.261788 0.266648 O\n",
"nsites": 26,
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"elements": [
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],
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"density": 2.8487460868274654,
"density_atomic": 0.06868538211504693,
"volume": 378.5376043544522,
"volume_molar": 8.767718216829616,
"formula_full": "Rb2 Al2 Si6 O16",
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"formula_anonymous": "ABC3D8",
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},
{
"id": "jvasp-57620",
"created_at": "2022-09-04T14:38:36.051742Z",
"updated_at": "2022-09-04T14:38:36.051779Z",
"structure_string": "K4 Ru2 Cl10 O1\n1.0\n6.608166 0.000000 -2.543867\n-0.979283 6.535203 -2.543867\n-0.004022 -0.004670 9.844453\nK Ru Cl O\n4 2 10 1\ndirect\n0.500000 -0.000000 -0.000000 K\n0.250001 0.750000 0.500000 K\n0.750001 0.250000 0.500000 K\n0.000000 0.500000 -0.000000 K\n0.893678 0.893676 0.787353 Ru\n0.106324 0.106323 0.212647 Ru\n0.243492 0.243492 0.486985 Cl\n0.353202 0.353202 0.228512 Cl\n0.353202 0.875310 0.228512 Cl\n0.756509 0.756508 0.513015 Cl\n0.124690 0.646798 0.771487 Cl\n0.875312 0.875310 0.228512 Cl\n0.646799 0.646798 0.771487 Cl\n0.646799 0.124689 0.771487 Cl\n0.875311 0.353202 0.228512 Cl\n0.124690 0.124689 0.771487 Cl\n0.000000 0.000000 0.000000 O\n",
"nsites": 17,
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"elements": [
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"density_atomic": 0.04000163269642007,
"volume": 424.9826533085838,
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"formula_full": "K4 Ru2 Cl10 O1",
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"formula_anonymous": "AB2C4D10",
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},
{
"id": "jvasp-10713",
"created_at": "2022-09-04T14:37:19.897757Z",
"updated_at": "2022-09-04T14:37:19.897783Z",
"structure_string": "Ba2 C4 S4 N4\n1.0\n6.179946 0.027562 0.240697\n2.335749 5.721606 0.240697\n0.067762 0.045748 8.377307\nBa C S N\n2 4 4 4\ndirect\n0.900875 0.099125 0.750001 Ba\n0.099125 0.900875 0.250000 Ba\n0.753830 0.492835 0.100701 C\n0.492835 0.753830 0.600701 C\n0.246170 0.507166 0.899300 C\n0.507166 0.246170 0.399300 C\n0.345381 0.239439 0.838998 S\n0.760562 0.654619 0.661004 S\n0.654619 0.760562 0.161003 S\n0.239438 0.345382 0.338997 S\n0.827874 0.297250 0.057032 N\n0.297250 0.827874 0.557032 N\n0.702750 0.172127 0.442969 N\n0.172127 0.702751 0.942969 N\n",
"nsites": 14,
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"elements": [
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"N"
],
"chemical_system": "Ba-C-N-S",
"density": 2.848564204485193,
"density_atomic": 0.047370834979533184,
"volume": 295.5404946112682,
"volume_molar": 12.712760420207704,
"formula_full": "Ba2 C4 S4 N4",
"formula_reduced": "BaC2(SN)2",
"formula_anonymous": "AB2C2D2",
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"spacegroup": 15
},
{
"id": "jvasp-119211",
"created_at": "2022-09-04T14:38:52.105454Z",
"updated_at": "2022-09-04T14:38:52.105491Z",
"structure_string": "Al8 B1 C5\n1.0\n3.375639 0.009679 16.709397\n1.679184 2.928373 16.709397\n0.016652 0.009679 17.046953\nAl B C\n8 1 5\ndirect\n0.352987 0.352988 0.352988 Al\n0.854461 0.854462 0.854464 Al\n0.145537 0.145538 0.145538 Al\n0.647012 0.647012 0.647013 Al\n0.434534 0.434534 0.434535 Al\n0.935420 0.935421 0.935422 Al\n0.064579 0.064579 0.064579 Al\n0.565465 0.565466 0.565467 Al\n0.499999 0.500000 0.500001 B\n0.390959 0.390960 0.390961 C\n0.893131 0.893132 0.893134 C\n0.106867 0.106867 0.106868 C\n0.609039 0.609040 0.609041 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 14,
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"elements": [
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],
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"density": 2.8484038726308474,
"density_atomic": 0.0837582030716852,
"volume": 167.14780745735408,
"volume_molar": 7.189911601668315,
"formula_full": "Al8 B1 C5",
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},
{
"id": "jvasp-46315",
"created_at": "2022-09-04T14:38:09.685254Z",
"updated_at": "2022-09-04T14:38:09.685273Z",
"structure_string": "Li8 Fe2 O8\n1.0\n-5.206470 -0.127989 -0.199660\n1.891316 5.136684 -0.117818\n-0.422023 -1.868760 -6.441440\nLi Fe O\n8 2 8\ndirect\n0.252607 0.799427 0.677908 Li\n0.760892 0.859958 0.517142 Li\n0.749244 0.921361 0.973164 Li\n0.827833 0.582132 0.165064 Li\n0.172166 0.417867 0.834936 Li\n0.250754 0.078638 0.026837 Li\n0.239106 0.140041 0.482858 Li\n0.747391 0.200573 0.322092 Li\n0.712960 0.451245 0.732791 Fe\n0.287038 0.548754 0.267209 Fe\n0.600351 0.816626 0.238650 O\n0.084776 0.745694 0.410357 O\n0.009696 0.296448 0.098290 O\n0.455031 0.315159 0.273828 O\n0.544968 0.684840 0.726172 O\n0.990302 0.703552 0.901710 O\n0.915223 0.254305 0.589644 O\n0.399647 0.183374 0.761350 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Fe-Li-O",
"density": 2.848033045777127,
"density_atomic": 0.104576152469169,
"volume": 172.12337205948302,
"volume_molar": 5.758617636822544,
"formula_full": "Li8 Fe2 O8",
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"spacegroup": 2
},
{
"id": "jvasp-14874",
"created_at": "2022-09-04T14:35:49.701541Z",
"updated_at": "2022-09-04T14:35:49.701571Z",
"structure_string": "Ti2 F6\n1.0\n4.798701 -0.036033 2.832925\n1.600059 4.524228 2.832925\n-0.051371 -0.036033 5.572285\nTi F\n2 6\ndirect\n0.500000 0.500001 0.499998 Ti\n0.000000 0.000000 0.000000 Ti\n0.253221 0.750001 0.246777 F\n0.750000 0.246780 0.253220 F\n0.753221 0.746780 0.249998 F\n0.250000 0.753222 0.746777 F\n0.746779 0.250001 0.753219 F\n0.246779 0.253222 0.749999 F\n",
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"volume": 122.28807220032067,
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"formula_full": "Ti2 F6",
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"spacegroup": 221
},
{
"id": "jvasp-56743",
"created_at": "2022-09-04T14:38:34.461451Z",
"updated_at": "2022-09-04T14:38:34.461478Z",
"structure_string": "Li4 Ca3 Si2 N6\n1.0\n5.658706 -0.004433 -0.030909\n-2.693745 4.976416 -0.030909\n-0.008666 -0.014531 5.971305\nLi Ca Si N\n4 3 2 6\ndirect\n0.036335 0.683512 0.124957 Li\n0.683512 0.036336 0.124957 Li\n0.963664 0.316489 0.875043 Li\n0.316487 0.963665 0.875043 Li\n0.314887 0.685113 0.500000 Ca\n0.685112 0.314889 0.500000 Ca\n0.500000 0.500001 -0.000000 Ca\n0.882329 0.882330 0.670819 Si\n0.117671 0.117671 0.329181 Si\n0.363927 0.064004 0.208142 N\n0.805213 0.805214 0.366884 N\n0.194787 0.194787 0.633116 N\n0.636073 0.935998 0.791859 N\n0.935997 0.636075 0.791859 N\n0.064003 0.363927 0.208142 N\n",
"nsites": 15,
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"elements": [
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],
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"density": 2.8474179474955625,
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"volume": 168.07600597392755,
"volume_molar": 6.74784910902395,
"formula_full": "Li4 Ca3 Si2 N6",
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{
"id": "jvasp-98647",
"created_at": "2022-09-04T14:36:01.544439Z",
"updated_at": "2022-09-04T14:36:01.544465Z",
"structure_string": "Ca1 V2 P2 H8 O14\n1.0\n6.344425 0.029146 -0.444981\n-0.114503 6.082203 -1.844057\n0.009673 -0.023519 6.594730\nCa V P H O\n1 2 2 8 14\ndirect\n0.535537 0.469472 0.153661 Ca\n0.832043 0.504602 0.705336 V\n0.320025 0.935345 0.519222 V\n0.330342 0.468336 0.623837 P\n0.830378 0.969095 0.607603 P\n0.709269 -0.002777 -0.012156 H\n0.685924 0.064695 0.241597 H\n0.175918 0.182026 0.975046 H\n0.184051 0.252203 0.230986 H\n0.419923 0.910278 0.100900 H\n0.919702 0.716665 0.202054 H\n0.979698 0.470195 0.092458 H\n0.226463 0.741913 0.017627 H\n0.008401 0.891229 0.452247 O\n0.326080 0.806708 0.143227 O\n0.872426 0.585761 0.080786 O\n0.626236 0.934569 0.456748 O\n0.819090 0.834545 0.769467 O\n0.862741 0.209436 0.744395 O\n0.787079 0.444123 0.447844 O\n0.296547 0.231414 0.472247 O\n0.142445 0.546099 0.761734 O\n0.357359 0.610337 0.471747 O\n0.323479 0.009211 0.776478 O\n0.177004 0.308945 0.105063 O\n0.527147 0.488188 0.782679 O\n0.629083 0.089188 0.107465 O\n",
"nsites": 27,
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"elements": [
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],
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"density_atomic": 0.10619498940193989,
"volume": 254.24928381326046,
"volume_molar": 5.670833241676459,
"formula_full": "Ca1 V2 P2 H8 O14",
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"formula_anonymous": "AB2C2D8E14",
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"spacegroup": 1
},
{
"id": "jvasp-34390",
"created_at": "2022-09-04T14:38:30.622581Z",
"updated_at": "2022-09-04T14:38:30.622609Z",
"structure_string": "Si2 P4 O14\n1.0\n2.369543 -4.104168 0.000000\n2.369543 4.104168 0.000000\n-0.000000 0.000000 12.115354\nSi P O\n2 4 14\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.333332 0.666666 0.879677 P\n0.666666 0.333332 0.120322 P\n0.666666 0.333332 0.379677 P\n0.333332 0.666666 0.620322 P\n0.938587 0.268865 0.413761 O\n0.731133 0.669721 0.413761 O\n0.669721 0.938587 0.586239 O\n0.938587 0.268865 0.086239 O\n0.061412 0.731134 0.913761 O\n0.330278 0.061412 0.413761 O\n0.669721 0.938587 0.913761 O\n0.333332 0.666666 0.750000 O\n0.268866 0.330278 0.913761 O\n0.268866 0.330278 0.586239 O\n0.330278 0.061412 0.086239 O\n0.731133 0.669721 0.086239 O\n0.061412 0.731134 0.586239 O\n0.666666 0.333332 0.250000 O\n",
"nsites": 20,
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],
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"density": 2.847322112123626,
"density_atomic": 0.08487390172698629,
"volume": 235.64369721488663,
"volume_molar": 7.095397569174337,
"formula_full": "Si2 P4 O14",
"formula_reduced": "SiP2O7",
"formula_anonymous": "AB2C7",
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"spacegroup": 176
},
{
"id": "jvasp-47274",
"created_at": "2022-09-04T14:37:59.886633Z",
"updated_at": "2022-09-04T14:37:59.886647Z",
"structure_string": "Li5 Mn1 F8\n1.0\n5.942973 -0.120406 -0.263214\n-3.075761 5.086562 0.263214\n2.791331 -1.611576 4.558225\nLi Mn F\n5 1 8\ndirect\n0.000000 0.500000 -0.000000 Li\n-0.000000 0.499999 0.499999 Li\n0.500000 0.499999 0.000000 Li\n0.499999 -0.000000 0.000000 Li\n0.499999 -0.000001 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.274867 0.725132 0.225132 F\n0.234394 0.234394 0.231121 F\n0.240370 0.759628 0.759628 F\n0.234394 0.234393 0.768878 F\n0.765605 0.765604 0.231121 F\n0.759628 0.240370 0.240371 F\n0.765605 0.765604 0.768878 F\n0.725132 0.274866 0.774867 F\n",
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],
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"volume": 140.96882250430065,
"volume_molar": 6.063814942088244,
"formula_full": "Li5 Mn1 F8",
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"formula_anonymous": "AB5C8",
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"spacegroup": 71
}
]
}