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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=1287",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=1285",
"results": [
{
"id": "jvasp-55602",
"created_at": "2022-09-04T14:36:40.311686Z",
"updated_at": "2022-09-04T14:36:40.311727Z",
"structure_string": "Rb8 Cd2 Cl12\n1.0\n8.829709 0.031132 0.123925\n0.122635 8.828912 0.123925\n0.031456 0.031132 8.830523\nRb Cd Cl\n8 2 12\ndirect\n0.874909 0.250000 0.625091 Rb\n0.625091 0.874909 0.250001 Rb\n0.250000 0.625091 0.874909 Rb\n0.125091 0.750000 0.374909 Rb\n0.374909 0.125091 0.750000 Rb\n0.750000 0.374909 0.125092 Rb\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.289671 0.939231 0.070570 Cl\n0.439231 0.789672 0.570570 Cl\n0.429431 0.560768 0.210329 Cl\n0.210328 0.429431 0.560769 Cl\n0.560769 0.210328 0.429431 Cl\n0.060769 0.929431 0.710328 Cl\n0.710329 0.060768 0.929431 Cl\n0.929431 0.710328 0.060770 Cl\n0.570569 0.439231 0.789672 Cl\n0.789672 0.570569 0.439232 Cl\n0.070569 0.289672 0.939231 Cl\n0.939231 0.070569 0.289672 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Rb",
"Cd",
"Cl"
],
"chemical_system": "Cd-Cl-Rb",
"density": 3.218319487267843,
"density_atomic": 0.03196294433891215,
"volume": 688.2970406833542,
"volume_molar": 18.841007562211843,
"formula_full": "Rb8 Cd2 Cl12",
"formula_reduced": "Rb4CdCl6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-58854",
"created_at": "2022-09-04T14:38:01.188386Z",
"updated_at": "2022-09-04T14:38:01.188407Z",
"structure_string": "Rb8 Cd2 Br12\n1.0\n9.239878 0.078945 0.056649\n0.056784 9.240041 0.056649\n0.078756 0.078945 9.239716\nRb Cd Br\n8 2 12\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.749999 0.750001 Rb\n0.871212 0.628788 0.250000 Rb\n0.250000 0.871211 0.628789 Rb\n0.628789 0.249999 0.871212 Rb\n0.128789 0.371211 0.750000 Rb\n0.750000 0.128788 0.371212 Rb\n0.371211 0.750000 0.128789 Rb\n0.000000 0.000000 0.000000 Cd\n0.500000 0.499999 0.500000 Cd\n0.706833 0.930847 0.059804 Br\n0.430847 0.206833 0.559804 Br\n0.440196 0.569152 0.793167 Br\n0.793167 0.440195 0.569153 Br\n0.569153 0.793166 0.440197 Br\n0.069153 0.940196 0.293167 Br\n0.293167 0.069152 0.940197 Br\n0.940196 0.293166 0.069153 Br\n0.559804 0.430847 0.206834 Br\n0.206834 0.559803 0.430847 Br\n0.059804 0.706833 0.930848 Br\n0.930847 0.059803 0.706834 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Rb",
"Cd",
"Br"
],
"chemical_system": "Br-Cd-Rb",
"density": 3.9315019667350546,
"density_atomic": 0.027892782628074018,
"volume": 788.7345014425722,
"volume_molar": 21.5903190452527,
"formula_full": "Rb8 Cd2 Br12",
"formula_reduced": "Rb4CdBr6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-22788",
"created_at": "2022-09-04T14:37:53.509481Z",
"updated_at": "2022-09-04T14:37:53.509498Z",
"structure_string": "Rb8 Cd12 Se16\n1.0\n6.854575 -0.000000 0.000000\n-0.000000 11.087291 0.000000\n0.000000 0.000000 14.645786\nRb Cd Se\n8 12 16\ndirect\n0.021978 0.250000 0.538747 Rb\n0.521978 0.750000 0.961254 Rb\n0.978021 0.750000 0.461254 Rb\n0.478022 0.250000 0.038747 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.500000 0.000000 Rb\n0.746673 0.250000 0.795706 Cd\n0.246674 0.750000 0.704294 Cd\n0.753326 0.250000 0.295706 Cd\n0.310681 0.093595 0.745469 Cd\n0.810681 0.906405 0.754531 Cd\n0.253326 0.750000 0.204294 Cd\n0.189318 0.406405 0.245469 Cd\n0.689318 0.906405 0.254531 Cd\n0.189318 0.093595 0.245469 Cd\n0.310681 0.406405 0.745469 Cd\n0.810681 0.593595 0.754531 Cd\n0.689318 0.593595 0.254531 Cd\n0.609449 0.750000 0.647411 Se\n0.890550 0.750000 0.147411 Se\n0.541292 0.250000 0.639465 Se\n0.041293 0.750000 0.860536 Se\n0.458707 0.750000 0.360536 Se\n0.958707 0.250000 0.139465 Se\n0.591123 0.036098 0.865266 Se\n0.908876 0.463902 0.365266 Se\n0.408877 0.536098 0.134734 Se\n0.408877 0.963902 0.134734 Se\n0.908876 0.036098 0.365266 Se\n0.591123 0.463902 0.865266 Se\n0.091123 0.536098 0.634734 Se\n0.109449 0.250000 0.852589 Se\n0.091123 0.963902 0.634734 Se\n0.390551 0.250000 0.352589 Se\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Rb",
"Cd",
"Se"
],
"chemical_system": "Cd-Rb-Se",
"density": 4.917248654154916,
"density_atomic": 0.03234326340978405,
"volume": 1113.0602235119466,
"volume_molar": 18.619459278738898,
"formula_full": "Rb8 Cd12 Se16",
"formula_reduced": "Rb2Cd3Se4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-10708",
"created_at": "2022-09-04T14:37:17.729080Z",
"updated_at": "2022-09-04T14:37:17.729090Z",
"structure_string": "Rb8 C8\n1.0\n4.717349 0.000000 0.000000\n0.000000 9.281691 0.000000\n0.000000 0.000000 9.718427\nRb C\n8 8\ndirect\n0.250000 0.988811 0.671260 Rb\n0.750000 0.011189 0.328740 Rb\n0.250000 0.488811 0.828740 Rb\n0.750000 0.511189 0.171260 Rb\n0.250000 0.338528 0.426804 Rb\n0.750000 0.661472 0.573197 Rb\n0.250000 0.838528 0.073197 Rb\n0.750000 0.161472 0.926804 Rb\n0.250000 0.668664 0.352323 C\n0.750000 0.331336 0.647677 C\n0.250000 0.168664 0.147677 C\n0.750000 0.831336 0.852323 C\n0.250000 0.790990 0.409269 C\n0.750000 0.209010 0.590731 C\n0.250000 0.290990 0.090731 C\n0.750000 0.709010 0.909269 C\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Rb",
"C"
],
"chemical_system": "C-Rb",
"density": 3.0431743287384325,
"density_atomic": 0.03760095645955688,
"volume": 425.5210905927194,
"volume_molar": 16.015924399362927,
"formula_full": "Rb8 C8",
"formula_reduced": "RbC",
"formula_anonymous": "AB",
"energy_above_hull": 1.766215,
"spacegroup": 62
},
{
"id": "jvasp-99281",
"created_at": "2022-09-04T14:38:13.856848Z",
"updated_at": "2022-09-04T14:38:13.856870Z",
"structure_string": "Rb8 C4 O12\n1.0\n6.038505 0.000000 0.000000\n-0.000000 6.990549 0.000000\n0.000000 0.000000 10.054353\nRb C O\n8 4 12\ndirect\n0.750001 0.763995 0.914330 Rb\n0.250000 0.736006 0.414330 Rb\n0.250000 0.562083 0.749697 Rb\n0.750001 0.263995 0.585669 Rb\n0.750001 0.937917 0.249697 Rb\n0.250000 0.062083 0.750303 Rb\n0.250000 0.236005 0.085669 Rb\n0.750001 0.437917 0.250303 Rb\n0.250000 0.724883 0.082214 C\n0.750001 0.275117 0.917786 C\n0.750001 0.775117 0.582214 C\n0.250000 0.224883 0.417786 C\n0.436342 0.674037 0.137125 O\n0.936342 0.325963 0.862875 O\n0.063659 0.174037 0.362875 O\n0.063659 0.674037 0.137125 O\n0.563659 0.825963 0.637125 O\n0.750001 0.174630 0.026935 O\n0.250000 0.825371 0.973065 O\n0.936342 0.825963 0.637125 O\n0.750001 0.674630 0.473065 O\n0.563659 0.325963 0.862875 O\n0.250000 0.325371 0.526935 O\n0.436342 0.174037 0.362875 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"C",
"O"
],
"chemical_system": "C-O-Rb",
"density": 3.6142806224077813,
"density_atomic": 0.05654788919883825,
"volume": 424.4190250074457,
"volume_molar": 10.64962962423666,
"formula_full": "Rb8 C4 O12",
"formula_reduced": "Rb2CO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.7935134166666664,
"spacegroup": 62
},
{
"id": "jvasp-19100",
"created_at": "2022-09-04T14:37:03.321965Z",
"updated_at": "2022-09-04T14:37:03.321994Z",
"structure_string": "Rb8 C4 O12\n1.0\n0.000000 5.899613 0.162286\n10.220514 0.000000 0.000000\n0.000000 -0.964407 -7.065241\nRb C O\n8 4 12\ndirect\n0.265146 0.265166 0.030433 Rb\n0.734853 0.765166 0.469566 Rb\n0.734853 0.734834 0.969566 Rb\n0.265146 0.234834 0.530433 Rb\n0.240624 0.918050 0.208327 Rb\n0.759375 0.418051 0.291672 Rb\n0.759375 0.081949 0.791672 Rb\n0.240624 0.581949 0.708327 Rb\n0.754498 0.417373 0.749097 C\n0.754498 0.082627 0.249097 C\n0.245501 0.582627 0.250902 C\n0.245501 0.917373 0.750902 C\n0.735140 0.538003 0.688930 O\n0.068362 0.848487 0.779839 O\n0.931637 0.348487 0.720160 O\n0.931637 0.151513 0.220160 O\n0.068362 0.651512 0.279839 O\n0.402662 0.865907 0.665228 O\n0.402663 0.634093 0.165228 O\n0.597336 0.134093 0.334771 O\n0.597336 0.365907 0.834771 O\n0.264859 0.461997 0.311070 O\n0.735140 0.961996 0.188930 O\n0.264859 0.038003 0.811070 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"C",
"O"
],
"chemical_system": "C-O-Rb",
"density": 3.6143253540514286,
"density_atomic": 0.05654858905595863,
"volume": 424.4137723091621,
"volume_molar": 10.649497822201518,
"formula_full": "Rb8 C4 O12",
"formula_reduced": "Rb2CO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.79296175,
"spacegroup": 14
},
{
"id": "jvasp-97865",
"created_at": "2022-09-04T14:35:59.076927Z",
"updated_at": "2022-09-04T14:35:59.076953Z",
"structure_string": "Rb8 C2 O8\n1.0\n5.905399 0.000000 0.000000\n0.000000 6.978609 0.035298\n0.000000 0.243642 8.315061\nRb C O\n8 2 8\ndirect\n0.736176 0.129267 0.400247 Rb\n0.230353 0.458275 0.397210 Rb\n0.715805 0.006040 0.833373 Rb\n0.911656 0.414150 0.965873 Rb\n0.215805 -0.006040 0.166627 Rb\n0.411656 0.585850 0.034128 Rb\n0.730353 0.541725 0.602790 Rb\n0.236176 0.870733 0.599753 Rb\n0.768544 0.709576 0.264830 C\n0.268544 0.290424 0.735170 C\n0.266614 0.499324 0.731877 O\n0.051221 0.225813 0.683080 O\n0.766614 0.500676 0.268123 O\n0.812636 0.781390 0.101695 O\n0.440286 0.224952 0.631147 O\n0.940286 0.775047 0.368853 O\n0.312636 0.218610 0.898305 O\n0.551221 0.774187 0.316920 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Rb",
"C",
"O"
],
"chemical_system": "C-O-Rb",
"density": 4.0505218354409465,
"density_atomic": 0.052535554837262216,
"volume": 342.62510514561137,
"volume_molar": 11.462981172759289,
"formula_full": "Rb8 C2 O8",
"formula_reduced": "Rb4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.4038526666666664,
"spacegroup": 4
},
{
"id": "jvasp-109652",
"created_at": "2022-09-04T14:37:58.136860Z",
"updated_at": "2022-09-04T14:37:58.136882Z",
"structure_string": "Rb8 Bi2\n1.0\n8.987782 -0.000000 5.189099\n2.995927 8.473762 5.189099\n-0.000000 -0.000000 10.378197\nRb Bi\n8 2\ndirect\n0.384922 0.384922 0.384922 Rb\n0.384922 0.384922 0.845234 Rb\n0.384922 0.845233 0.384922 Rb\n0.865078 0.865078 0.404767 Rb\n0.865078 0.865078 0.865078 Rb\n0.845234 0.384922 0.384923 Rb\n0.865078 0.404766 0.865078 Rb\n0.404767 0.865078 0.865078 Rb\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Bi\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Rb",
"Bi"
],
"chemical_system": "Bi-Rb",
"density": 2.314531022439101,
"density_atomic": 0.012651712017657578,
"volume": 790.4068624106626,
"volume_molar": 47.59941383106963,
"formula_full": "Rb8 Bi2",
"formula_reduced": "Rb4Bi",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0,
"spacegroup": 227
},
{
"id": "jvasp-20832",
"created_at": "2022-09-04T14:38:30.389087Z",
"updated_at": "2022-09-04T14:38:30.389116Z",
"structure_string": "Rb8 Be4 F16\n1.0\n5.862494 0.000000 0.000000\n0.000000 7.692749 0.000000\n0.000000 0.000000 10.226558\nRb Be F\n8 4 16\ndirect\n0.247528 0.484306 0.810161 Rb\n0.747528 0.515694 0.189839 Rb\n0.747528 0.015694 0.310161 Rb\n0.247528 0.984306 0.689839 Rb\n0.247518 0.161649 0.094552 Rb\n0.747518 0.838351 0.905448 Rb\n0.747518 0.338351 0.594552 Rb\n0.247518 0.661649 0.405448 Rb\n0.247551 0.238945 0.418485 Be\n0.747550 0.261055 0.918486 Be\n0.247551 0.738945 0.081515 Be\n0.747550 0.761055 0.581515 Be\n0.747495 0.693037 0.435903 F\n0.247495 0.306963 0.564097 F\n0.247596 0.535481 0.089388 F\n0.747596 0.464519 0.910613 F\n0.747596 0.964519 0.589388 F\n0.247596 0.035481 0.410613 F\n0.966185 0.187233 0.849166 F\n0.528925 0.187277 0.849117 F\n0.466185 0.812767 0.150834 F\n0.466185 0.312767 0.349166 F\n0.028926 0.312723 0.349117 F\n0.528925 0.687277 0.650883 F\n0.747495 0.193037 0.064097 F\n0.028926 0.812723 0.150883 F\n0.966185 0.687233 0.650834 F\n0.247495 0.806963 0.935903 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Be",
"F"
],
"chemical_system": "Be-F-Rb",
"density": 3.6860070512922256,
"density_atomic": 0.06071060654793989,
"volume": 461.20441866924705,
"volume_molar": 9.91942117271492,
"formula_full": "Rb8 Be4 F16",
"formula_reduced": "Rb2BeF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-24769",
"created_at": "2022-09-04T14:38:03.485224Z",
"updated_at": "2022-09-04T14:38:03.485248Z",
"structure_string": "Rb8 As8 Se16\n1.0\n9.269175 0.037429 -1.769985\n-0.781205 9.131123 -3.897980\n0.077229 -0.042560 12.607045\nRb As Se\n8 8 16\ndirect\n0.336614 0.279091 0.404782 Rb\n0.663385 0.720909 0.595217 Rb\n0.836614 0.125693 0.404782 Rb\n0.749999 0.977005 -0.000000 Rb\n0.250000 0.022994 -0.000000 Rb\n0.749999 0.533314 -0.000000 Rb\n0.250000 0.466686 -0.000000 Rb\n0.163386 0.874307 0.595217 Rb\n0.048736 0.507181 0.300990 As\n0.151552 0.814422 0.213696 As\n0.348447 0.600726 0.786303 As\n0.848447 0.185578 0.786303 As\n0.651552 0.399274 0.213696 As\n0.451264 0.206190 0.699009 As\n0.548735 0.793810 0.300990 As\n0.951264 0.492819 0.699009 As\n0.939583 0.968998 0.792071 Se\n0.957802 0.743439 0.296491 Se\n0.542196 0.446949 0.703508 Se\n0.042197 0.256560 0.703508 Se\n0.457803 0.553051 0.296491 Se\n0.991567 0.328914 0.108025 Se\n0.508432 0.220888 0.891974 Se\n0.008432 0.671086 0.891974 Se\n0.491567 0.779112 0.108025 Se\n0.652590 0.081375 0.606471 Se\n0.847409 0.474903 0.393528 Se\n0.060416 0.031002 0.207928 Se\n0.347409 0.918625 0.393528 Se\n0.439584 0.823073 0.792071 Se\n0.560416 0.176927 0.207928 Se\n0.152590 0.525097 0.606471 Se\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Rb",
"As",
"Se"
],
"chemical_system": "As-Rb-Se",
"density": 3.9628381077033623,
"density_atomic": 0.029989398870317797,
"volume": 1067.0437289649112,
"volume_molar": 20.0808985403187,
"formula_full": "Rb8 As8 Se16",
"formula_reduced": "RbAsSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8784971208333333,
"spacegroup": 15
},
{
"id": "jvasp-10706",
"created_at": "2022-09-04T14:37:10.544574Z",
"updated_at": "2022-09-04T14:37:10.544597Z",
"structure_string": "Rb8 As8\n1.0\n6.654369 0.000000 0.000000\n0.000000 6.917468 0.000000\n0.000000 0.000000 12.025400\nRb As\n8 8\ndirect\n0.096972 0.110748 0.416164 Rb\n0.596972 0.389252 0.583836 Rb\n0.903028 0.610748 0.083836 Rb\n0.403028 0.889252 0.916164 Rb\n0.671077 0.161690 0.218763 Rb\n0.171077 0.338311 0.781237 Rb\n0.328923 0.661690 0.281237 Rb\n0.828923 0.838311 0.718763 Rb\n0.172974 0.180024 0.110838 As\n0.672974 0.319976 0.889162 As\n0.827026 0.680025 0.389162 As\n0.327026 0.819976 0.610838 As\n0.407830 0.430199 0.029195 As\n0.907830 0.069801 0.970805 As\n0.592170 0.930199 0.470805 As\n0.092170 0.569802 0.529195 As\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Rb",
"As"
],
"chemical_system": "As-Rb",
"density": 3.8491175763960994,
"density_atomic": 0.028904563337549552,
"volume": 553.5458125815934,
"volume_molar": 20.83456750296834,
"formula_full": "Rb8 As8",
"formula_reduced": "RbAs",
"formula_anonymous": "AB",
"energy_above_hull": 0.3473939166666667,
"spacegroup": 19
},
{
"id": "jvasp-121796",
"created_at": "2022-09-04T14:38:55.206060Z",
"updated_at": "2022-09-04T14:38:55.206085Z",
"structure_string": "Rb8 As1 O3\n1.0\n7.161716 -0.000000 0.000000\n0.000000 7.161716 0.000000\n-0.000000 -0.000000 7.161716\nRb As O\n8 1 3\ndirect\n0.265279 0.265279 0.265279 Rb\n0.734722 0.734722 0.265279 Rb\n0.734722 0.265279 0.734722 Rb\n0.265279 0.734722 0.734722 Rb\n0.265279 0.265279 0.734722 Rb\n0.734722 0.734722 0.734722 Rb\n0.734722 0.265279 0.265279 Rb\n0.265279 0.734722 0.265279 Rb\n0.000000 0.000000 0.000000 As\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"As",
"O"
],
"chemical_system": "As-O-Rb",
"density": 3.64661168385669,
"density_atomic": 0.03266855771573477,
"volume": 367.32567456506393,
"volume_molar": 18.43405764160639,
"formula_full": "Rb8 As1 O3",
"formula_reduced": "Rb8AsO3",
"formula_anonymous": "AB3C8",
"energy_above_hull": null,
"spacegroup": 221
}
]
}