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{
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"results": [
{
"id": "jvasp-50160",
"created_at": "2022-09-04T14:36:30.977404Z",
"updated_at": "2022-09-04T14:36:30.977428Z",
"structure_string": "Rb4 O2\n1.0\n0.000000 4.766619 -0.069314\n4.798710 0.000000 0.000000\n0.000000 -0.099212 -6.760631\nRb O\n4 2\ndirect\n0.250022 0.749855 -0.000360 Rb\n0.249994 0.750121 0.499958 Rb\n0.750007 0.250121 0.500041 Rb\n0.749979 0.249855 0.000359 Rb\n0.249969 0.250025 0.749986 O\n0.750031 0.750025 0.250013 O\n",
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{
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"created_at": "2022-09-04T14:37:29.003977Z",
"updated_at": "2022-09-04T14:37:29.004002Z",
"structure_string": "Rb4 O12\n1.0\n0.000000 6.387447 -0.078730\n5.925139 0.000000 0.000000\n0.000000 -4.733867 -7.361872\nRb O\n4 12\ndirect\n0.228233 0.747055 0.585572 Rb\n0.771766 0.247055 0.914428 Rb\n0.771767 0.252945 0.414428 Rb\n0.228233 0.752945 0.085572 Rb\n0.094992 0.435924 0.787703 O\n0.905008 0.935924 0.712296 O\n0.905008 0.564077 0.212296 O\n0.094992 0.064076 0.287704 O\n0.284664 0.212264 0.385739 O\n0.715336 0.712264 0.114260 O\n0.715336 0.787736 0.614260 O\n0.284664 0.287736 0.885739 O\n0.326010 0.255713 0.553897 O\n0.673989 0.755713 0.946103 O\n0.673990 0.744287 0.446103 O\n0.326010 0.244287 0.053897 O\n",
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"formula_full": "Rb4 O12",
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"spacegroup": 14
},
{
"id": "jvasp-11468",
"created_at": "2022-09-04T14:38:13.063253Z",
"updated_at": "2022-09-04T14:38:13.063272Z",
"structure_string": "Rb4 Ni6 Se8\n1.0\n5.963696 -0.000000 1.303720\n2.981848 5.319752 0.651860\n0.082255 0.000000 13.915658\nRb Ni Se\n4 6 8\ndirect\n0.298458 0.250000 0.403085 Rb\n0.701544 0.750000 0.596915 Rb\n0.548459 0.750000 0.903085 Rb\n0.451543 0.250000 0.096915 Rb\n0.625446 0.250000 0.749112 Ni\n0.875446 0.750000 0.249112 Ni\n0.125001 0.750000 0.750000 Ni\n0.124556 0.250000 0.750888 Ni\n0.374556 0.750000 0.250888 Ni\n0.875001 0.250000 0.250000 Ni\n0.236940 0.417276 0.863823 Se\n0.018039 0.082724 0.636177 Se\n0.899238 0.082724 0.863823 Se\n0.763062 0.582724 0.136177 Se\n0.981963 0.917276 0.363823 Se\n0.654216 0.582724 0.363823 Se\n0.100764 0.917276 0.136177 Se\n0.345785 0.417276 0.636177 Se\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Ni",
"Se"
],
"chemical_system": "Ni-Rb-Se",
"density": 4.992856437057578,
"density_atomic": 0.040824740225462626,
"volume": 440.9091129690348,
"volume_molar": 14.751204114812605,
"formula_full": "Rb4 Ni6 Se8",
"formula_reduced": "Rb2Ni3Se4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 0.8203234074074072,
"spacegroup": 70
},
{
"id": "jvasp-108007",
"created_at": "2022-09-04T14:38:30.543416Z",
"updated_at": "2022-09-04T14:38:30.543436Z",
"structure_string": "Rb4 Ni2 P4\n1.0\n7.690783 -0.050058 0.000000\n-4.814663 5.997472 0.000000\n-0.000000 -0.000000 5.759157\nRb Ni P\n4 2 4\ndirect\n0.786740 0.213259 0.250000 Rb\n0.213260 0.786740 0.750000 Rb\n0.409696 0.590304 0.250000 Rb\n0.590304 0.409696 0.750000 Rb\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.930877 0.736112 0.250000 P\n0.069123 0.263887 0.750000 P\n0.263887 0.069123 0.250000 P\n0.736112 0.930877 0.750000 P\n",
"nsites": 10,
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"elements": [
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"P"
],
"chemical_system": "Ni-P-Rb",
"density": 3.664452997054017,
"density_atomic": 0.03784229858692145,
"volume": 264.2545609916007,
"volume_molar": 15.913781627634249,
"formula_full": "Rb4 Ni2 P4",
"formula_reduced": "Rb2NiP2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.98129268,
"spacegroup": 63
},
{
"id": "jvasp-100769",
"created_at": "2022-09-04T14:37:08.805873Z",
"updated_at": "2022-09-04T14:37:08.805893Z",
"structure_string": "Rb4 Ni2 As4\n1.0\n7.838432 -0.069905 0.000000\n-4.802603 6.195233 0.000000\n0.000000 -0.000000 5.943161\nRb Ni As\n4 2 4\ndirect\n0.791445 0.208556 0.250000 Rb\n0.208556 0.791444 0.750000 Rb\n0.404280 0.595720 0.250000 Rb\n0.595720 0.404280 0.750000 Rb\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.918115 0.721650 0.250000 As\n0.081885 0.278350 0.750000 As\n0.278351 0.081885 0.250000 As\n0.721650 0.918115 0.750000 As\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.3971131946508555,
"density_atomic": 0.03489061201978915,
"volume": 286.6100484086731,
"volume_molar": 17.260060547474435,
"formula_full": "Rb4 Ni2 As4",
"formula_reduced": "Rb2NiAs2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7167991799999999,
"spacegroup": 63
},
{
"id": "jvasp-116600",
"created_at": "2022-09-04T14:38:51.449708Z",
"updated_at": "2022-09-04T14:38:51.449722Z",
"structure_string": "Rb4 Nb6 Br18\n1.0\n9.721451 0.375043 2.543599\n-4.766540 8.481000 2.543599\n0.139051 0.248529 10.272009\nRb Nb Br\n4 6 18\ndirect\n0.752718 0.058572 0.328516 Rb\n0.247282 0.941428 0.671484 Rb\n0.941428 0.247281 0.671484 Rb\n0.058572 0.752718 0.328516 Rb\n0.278917 0.458206 0.136931 Nb\n0.541794 0.721083 0.863070 Nb\n0.721083 0.541794 0.863070 Nb\n0.401140 0.401140 0.869332 Nb\n0.598860 0.598860 0.130669 Nb\n0.458206 0.278917 0.136931 Nb\n0.107657 0.330542 0.006615 Br\n0.430330 0.650804 0.673191 Br\n0.569669 0.349196 0.326809 Br\n0.172637 0.172637 0.337895 Br\n0.827363 0.827363 0.662105 Br\n0.266875 0.266875 0.699005 Br\n0.733125 0.733125 0.300996 Br\n0.892342 0.669458 0.993386 Br\n0.596396 0.020883 0.679799 Br\n0.330542 0.107657 0.006615 Br\n-0.020883 0.403604 0.320202 Br\n0.020883 0.596396 0.679799 Br\n0.650804 0.430330 0.673191 Br\n0.403604 -0.020883 0.320202 Br\n0.279500 0.720500 0.000000 Br\n0.720500 0.279499 0.000000 Br\n0.669458 0.892342 0.993386 Br\n0.349196 0.569669 0.326809 Br\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Nb",
"Br"
],
"chemical_system": "Br-Nb-Rb",
"density": 4.549301321094348,
"density_atomic": 0.032816093404925924,
"volume": 853.2398922230336,
"volume_molar": 18.351181189336923,
"formula_full": "Rb4 Nb6 Br18",
"formula_reduced": "Rb2(NbBr3)3",
"formula_anonymous": "A2B3C9",
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"spacegroup": 12
},
{
"id": "jvasp-50357",
"created_at": "2022-09-04T14:36:12.531987Z",
"updated_at": "2022-09-04T14:36:12.532014Z",
"structure_string": "Rb4 Nb4 O12\n1.0\n4.885149 4.307932 -0.034854\n-4.885149 4.307932 0.034854\n-0.762156 0.000000 8.128979\nRb Nb O\n4 4 12\ndirect\n0.336721 0.663279 0.767268 Rb\n0.231489 0.231489 0.500000 Rb\n0.768510 0.768511 0.500000 Rb\n0.663279 0.336721 0.232732 Rb\n0.261603 0.738397 0.203073 Nb\n0.189328 0.189328 0.000000 Nb\n0.810672 0.810672 0.000000 Nb\n0.738396 0.261603 0.796927 Nb\n0.291405 0.045578 0.216325 O\n0.954421 0.708595 0.216325 O\n0.771694 0.548884 0.893772 O\n0.451116 0.228306 0.893772 O\n0.228306 0.451116 0.106229 O\n0.334439 0.665560 0.419012 O\n0.708594 0.954422 0.783675 O\n0.045578 0.291405 0.783675 O\n0.665560 0.334440 0.580988 O\n0.121851 0.878149 0.947007 O\n0.548884 0.771694 0.106229 O\n0.878148 0.121851 0.052993 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Nb-O-Rb",
"density": 4.3975469580099515,
"density_atomic": 0.058493546759100144,
"volume": 341.9180594804417,
"volume_molar": 10.295393412886362,
"formula_full": "Rb4 Nb4 O12",
"formula_reduced": "RbNbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.99114598,
"spacegroup": 12
},
{
"id": "jvasp-11382",
"created_at": "2022-09-04T14:37:03.326152Z",
"updated_at": "2022-09-04T14:37:03.326190Z",
"structure_string": "Rb4 Nb2 Cu2 Se8\n1.0\n5.642390 0.000000 1.325156\n2.821195 6.927209 0.662578\n0.021007 -0.000000 12.585518\nRb Nb Cu Se\n4 2 2 8\ndirect\n0.804308 0.750000 0.391384 Rb\n0.445691 0.750000 0.108616 Rb\n0.554309 0.250000 0.891384 Rb\n0.195693 0.250000 0.608616 Rb\n0.375000 0.250000 0.250000 Nb\n0.625000 0.750000 0.750000 Nb\n0.875000 0.250000 0.250000 Cu\n0.125000 0.750000 0.750000 Cu\n0.914176 0.547002 0.863784 Se\n0.824961 0.952998 0.636217 Se\n0.538821 0.547002 0.636217 Se\n0.222040 0.952998 0.863784 Se\n0.461178 0.452998 0.363784 Se\n0.777959 0.047002 0.136216 Se\n0.175039 0.047002 0.363784 Se\n0.085823 0.452998 0.136216 Se\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Cu-Nb-Rb-Se",
"density": 4.344320070765534,
"density_atomic": 0.03253851859079174,
"volume": 491.7249061402547,
"volume_molar": 18.507728749840012,
"formula_full": "Rb4 Nb2 Cu2 Se8",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 70
},
{
"id": "jvasp-11381",
"created_at": "2022-09-04T14:37:07.705344Z",
"updated_at": "2022-09-04T14:37:07.705361Z",
"structure_string": "Rb4 Nb2 Cu2 S8\n1.0\n5.453414 -0.000000 1.279318\n2.726707 6.716190 0.639660\n0.025505 -0.000000 12.154208\nRb Nb Cu S\n4 2 2 8\ndirect\n0.803300 0.750000 0.393400 Rb\n0.446700 0.750000 0.106601 Rb\n0.196699 0.250000 0.606601 Rb\n0.553299 0.250000 0.893400 Rb\n0.375000 0.250000 0.250000 Nb\n0.624999 0.750000 0.750000 Nb\n0.874999 0.250000 0.250000 Cu\n0.125000 0.750000 0.750000 Cu\n0.227525 0.947946 0.860443 S\n0.535914 0.552054 0.639557 S\n0.824528 0.947946 0.639557 S\n0.912030 0.552054 0.860443 S\n0.087969 0.447946 0.139557 S\n0.464085 0.447946 0.360443 S\n0.175471 0.052054 0.360443 S\n0.772474 0.052054 0.139557 S\n",
"nsites": 16,
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],
"chemical_system": "Cu-Nb-Rb-S",
"density": 3.4009815895921602,
"density_atomic": 0.035959671958638605,
"volume": 444.9428798572873,
"volume_molar": 16.746929079127206,
"formula_full": "Rb4 Nb2 Cu2 S8",
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"formula_anonymous": "ABC2D4",
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},
{
"id": "jvasp-10562",
"created_at": "2022-09-04T14:37:18.782066Z",
"updated_at": "2022-09-04T14:37:18.782093Z",
"structure_string": "Rb4 Nb2 Ag2 Se8\n1.0\n5.916516 0.000000 1.479737\n2.958258 6.940000 0.739868\n0.023371 0.000000 12.474591\nRb Nb Ag Se\n4 2 2 8\ndirect\n0.806416 0.750000 0.387170 Rb\n0.193585 0.250000 0.612830 Rb\n0.443585 0.750000 0.112831 Rb\n0.556415 0.250000 0.887170 Rb\n0.375000 0.250000 0.250000 Nb\n0.625000 0.750000 0.750000 Nb\n0.875001 0.250000 0.250000 Ag\n0.125000 0.750000 0.750000 Ag\n0.759608 0.040746 0.131659 Se\n0.567988 0.540747 0.631659 Se\n0.891266 0.540747 0.868342 Se\n0.800355 0.959254 0.631659 Se\n0.432013 0.459254 0.368342 Se\n0.199646 0.040746 0.368342 Se\n0.108734 0.459254 0.131659 Se\n0.240393 0.959254 0.868342 Se\n",
"nsites": 16,
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],
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"density": 4.460003573716539,
"density_atomic": 0.03125155964070097,
"volume": 511.9744481220113,
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"formula_full": "Rb4 Nb2 Ag2 Se8",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 70
},
{
"id": "jvasp-11207",
"created_at": "2022-09-04T14:37:17.649220Z",
"updated_at": "2022-09-04T14:37:17.649230Z",
"structure_string": "Rb4 Nb2 Ag2 S8\n1.0\n5.749819 0.000000 1.448691\n2.874909 6.753026 0.724345\n0.020775 0.000000 12.052337\nRb Nb Ag S\n4 2 2 8\ndirect\n0.555557 0.250000 0.888887 Rb\n0.444444 0.750000 0.111113 Rb\n0.194445 0.250000 0.611113 Rb\n0.805556 0.750000 0.388887 Rb\n0.625001 0.750000 0.750000 Nb\n0.375000 0.250000 0.250000 Nb\n0.125001 0.750000 0.750000 Ag\n0.875000 0.250000 0.250000 Ag\n0.567799 0.545927 0.634820 S\n0.248546 0.954074 0.865180 S\n0.886275 0.545927 0.865180 S\n0.797382 0.954074 0.634820 S\n0.432202 0.454074 0.365180 S\n0.202619 0.045927 0.365180 S\n0.113726 0.454074 0.134820 S\n0.751455 0.045927 0.134820 S\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Ag-Nb-Rb-S",
"density": 3.549670072386925,
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"volume": 467.7730600842936,
"volume_molar": 17.60622007227221,
"formula_full": "Rb4 Nb2 Ag2 S8",
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"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.4527408325,
"spacegroup": 70
},
{
"id": "jvasp-27330",
"created_at": "2022-09-04T14:37:17.226240Z",
"updated_at": "2022-09-04T14:37:17.226257Z",
"structure_string": "Rb4 Na8 Co4 O10\n1.0\n6.483823 -0.000000 0.000000\n0.000000 6.483823 0.000000\n0.000000 0.000000 10.067696\nRb Na Co O\n4 8 4 10\ndirect\n0.302179 0.302179 0.000000 Rb\n0.197821 0.802179 0.500000 Rb\n0.802179 0.197821 0.500000 Rb\n0.697820 0.697820 0.000000 Rb\n0.000000 0.500000 0.750000 Na\n0.500000 0.000000 0.750000 Na\n0.000000 0.000000 0.776204 Na\n0.000000 0.500000 0.250000 Na\n0.500000 0.500000 0.276204 Na\n0.500000 0.500000 0.723797 Na\n0.000000 0.000000 0.223797 Na\n0.500000 0.000000 0.250000 Na\n0.289882 0.289882 0.500000 Co\n0.210118 0.789881 0.000000 Co\n0.710118 0.710118 0.500000 Co\n0.789881 0.210118 0.000000 Co\n0.277206 0.722793 0.169153 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.722793 0.277206 0.830848 O\n0.277206 0.722793 0.830848 O\n0.222794 0.222794 0.330847 O\n0.777206 0.777206 0.669153 O\n0.222794 0.222794 0.669153 O\n0.722793 0.277206 0.169153 O\n0.777206 0.777206 0.330847 O\n",
"nsites": 26,
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"elements": [
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"Na",
"Co",
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],
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"density": 3.615427409977906,
"density_atomic": 0.061430061959162,
"volume": 423.245544132521,
"volume_molar": 9.803247087726282,
"formula_full": "Rb4 Na8 Co4 O10",
"formula_reduced": "Rb2Na4Co2O5",
"formula_anonymous": "A2B2C4D5",
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"spacegroup": 136
}
]
}