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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=1298",
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"results": [
{
"id": "jvasp-95027",
"created_at": "2022-09-04T14:35:52.031206Z",
"updated_at": "2022-09-04T14:35:52.031234Z",
"structure_string": "Rb4 S2\n1.0\n-2.761551 -4.783110 -0.000000\n-2.761551 4.783110 0.000000\n0.000000 -0.000000 -7.306339\nRb S\n4 2\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.666665 0.333334 0.250000 Rb\n0.333334 0.666665 0.750000 Rb\n0.666669 0.333331 0.750000 S\n0.333331 0.666669 0.250000 S\n",
"nsites": 6,
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"elements": [
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"density": 3.4928759621590637,
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"volume_molar": 19.37282267574577,
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"spacegroup": 194
},
{
"id": "jvasp-50022",
"created_at": "2022-09-04T14:37:15.214484Z",
"updated_at": "2022-09-04T14:37:15.214510Z",
"structure_string": "Rb4 Pr2 O6\n1.0\n5.720560 3.579889 0.000000\n-5.720560 3.579889 0.000000\n0.000000 0.000000 6.520727\nRb Pr O\n4 2 6\ndirect\n0.476351 0.812112 0.278247 Rb\n0.187888 0.523649 0.778247 Rb\n0.523649 0.187888 0.778247 Rb\n0.812112 0.476351 0.278247 Rb\n0.111098 0.111098 0.243399 Pr\n0.888902 0.888902 0.743399 Pr\n0.102099 0.840171 0.011410 O\n0.159830 0.897902 0.511410 O\n0.599009 0.599009 0.617289 O\n0.400991 0.400991 0.117289 O\n0.840171 0.102099 0.011410 O\n0.897902 0.159830 0.511410 O\n",
"nsites": 12,
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"elements": [
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],
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"density": 4.474620020522517,
"density_atomic": 0.04493110777607125,
"volume": 267.0755428467487,
"volume_molar": 13.403054271471099,
"formula_full": "Rb4 Pr2 O6",
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"formula_anonymous": "AB2C3",
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"spacegroup": 36
},
{
"id": "jvasp-112562",
"created_at": "2022-09-04T14:38:41.502439Z",
"updated_at": "2022-09-04T14:38:41.502455Z",
"structure_string": "Rb4 Pd6 S8\n1.0\n13.374567 -0.085731 4.709317\n12.328629 5.189562 1.535395\n-0.001456 0.007343 6.244712\nRb Pd S\n4 6 8\ndirect\n0.078222 0.078222 0.921778 Rb\n0.921778 0.921778 0.078222 Rb\n0.171778 0.171778 0.328222 Rb\n0.328222 0.328222 0.171778 Rb\n0.999538 0.999537 0.500462 Pd\n0.250463 0.250462 0.749537 Pd\n0.500463 0.500462 0.999537 Pd\n0.750000 0.749999 0.749999 Pd\n0.500000 0.500000 0.500000 Pd\n0.749537 0.749537 0.250462 Pd\n0.972155 0.646427 0.859848 S\n0.603573 0.277846 0.728431 S\n0.728431 0.390151 0.603573 S\n0.277846 0.603573 0.390151 S\n0.390151 0.728431 0.277845 S\n0.646428 0.972154 0.521568 S\n0.521569 0.859848 0.646426 S\n0.859849 0.521568 0.972154 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Rb",
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],
"chemical_system": "Pd-Rb-S",
"density": 4.664381309022204,
"density_atomic": 0.04087699218805155,
"volume": 440.34551067731076,
"volume_molar": 14.732348046293602,
"formula_full": "Rb4 Pd6 S8",
"formula_reduced": "Rb2Pd3S4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.3169019,
"spacegroup": 70
},
{
"id": "jvasp-34359",
"created_at": "2022-09-04T14:37:18.435220Z",
"updated_at": "2022-09-04T14:37:18.435245Z",
"structure_string": "Rb4 Pd2 N4 Cl4 O8\n1.0\n6.721273 0.000000 -3.444413\n-0.000000 7.641292 0.000000\n0.110478 -0.000000 8.495584\nRb Pd N Cl O\n4 2 4 4 8\ndirect\n0.862912 0.000000 0.725825 Rb\n0.637087 0.500000 0.274175 Rb\n0.362913 0.500000 0.725825 Rb\n0.137087 0.000000 0.274175 Rb\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.133974 0.500000 0.267949 N\n0.366026 0.000000 0.732051 N\n0.633974 0.000000 0.267949 N\n0.866025 0.500000 0.732051 N\n0.218697 0.718869 0.000000 Cl\n0.781302 0.281131 0.000000 Cl\n0.281302 0.218869 0.000000 Cl\n0.718697 0.781131 0.000000 Cl\n0.779635 0.097613 0.351137 O\n0.220365 0.902386 0.648863 O\n0.279635 0.402386 0.351136 O\n0.720365 0.597613 0.648863 O\n0.071502 0.597613 0.351136 O\n0.928498 0.402386 0.648863 O\n0.571501 0.902386 0.351137 O\n0.428498 0.097613 0.648863 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Rb",
"Pd",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-N-O-Pd-Rb",
"density": 3.3289292817215133,
"density_atomic": 0.05008717052502159,
"volume": 439.23423442355687,
"volume_molar": 12.023319937770442,
"formula_full": "Rb4 Pd2 N4 Cl4 O8",
"formula_reduced": "Rb2PdN2(ClO2)2",
"formula_anonymous": "AB2C2D2E4",
"energy_above_hull": 2.105308575909091,
"spacegroup": 64
},
{
"id": "jvasp-12384",
"created_at": "2022-09-04T14:38:06.285486Z",
"updated_at": "2022-09-04T14:38:06.285510Z",
"structure_string": "Rb4 Pb2 O6\n1.0\n6.117326 0.000000 0.000000\n0.000000 6.162082 -2.417757\n0.000000 -0.086343 6.618864\nRb Pb O\n4 2 6\ndirect\n0.267295 0.481573 0.807041 Rb\n0.767296 0.192959 0.518426 Rb\n0.767296 0.518427 0.192958 Rb\n0.267295 0.807042 0.481572 Rb\n0.741318 0.904442 0.904441 Pb\n0.241318 0.095558 0.095558 Pb\n0.659641 0.634280 0.634280 O\n0.159641 0.365720 0.365719 O\n0.002226 0.845319 0.107496 O\n0.502226 0.154681 0.892503 O\n0.002226 0.107497 0.845319 O\n0.502226 0.892503 0.154680 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Pb",
"O"
],
"chemical_system": "O-Pb-Rb",
"density": 5.701394513715443,
"density_atomic": 0.048343408058808934,
"volume": 248.22412158866013,
"volume_molar": 12.457005001952217,
"formula_full": "Rb4 Pb2 O6",
"formula_reduced": "Rb2PbO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.80677022,
"spacegroup": 36
},
{
"id": "jvasp-9114",
"created_at": "2022-09-04T14:38:11.443436Z",
"updated_at": "2022-09-04T14:38:11.443464Z",
"structure_string": "Rb4 P6\n1.0\n6.164678 -0.053865 -2.337786\n-1.437513 5.994974 -2.337786\n0.013975 0.017563 8.538491\nRb P\n4 6\ndirect\n0.250000 0.749999 0.499999 Rb\n0.750000 0.250000 0.499999 Rb\n0.277504 0.722496 -0.000000 Rb\n0.722497 0.277504 -0.000000 Rb\n0.849119 0.849118 0.698236 P\n0.150881 0.150881 0.301762 P\n0.136410 0.136410 0.850176 P\n0.286234 0.286234 0.149823 P\n0.863590 0.863590 0.149823 P\n0.713766 0.713766 0.850175 P\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Rb",
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],
"chemical_system": "P-Rb",
"density": 2.7782870328114773,
"density_atomic": 0.031705133496223045,
"volume": 315.40633636478066,
"volume_molar": 18.99421354184616,
"formula_full": "Rb4 P6",
"formula_reduced": "Rb2P3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.4100399,
"spacegroup": 69
},
{
"id": "jvasp-102602",
"created_at": "2022-09-04T14:36:44.140033Z",
"updated_at": "2022-09-04T14:36:44.140055Z",
"structure_string": "Rb4 P4 Pt2\n1.0\n7.871696 -0.081674 0.000000\n-5.149555 5.954187 0.000000\n-0.000000 -0.000000 6.166781\nRb P Pt\n4 4 2\ndirect\n0.789378 0.210623 0.250000 Rb\n0.210623 0.789378 0.750000 Rb\n0.418223 0.581778 0.250000 Rb\n0.581778 0.418224 0.750000 Rb\n0.935766 0.722846 0.250000 P\n0.064235 0.277155 0.750000 P\n0.277155 0.064236 0.250000 P\n0.722846 0.935766 0.750000 P\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"P",
"Pt"
],
"chemical_system": "P-Pt-Rb",
"density": 4.961979117716156,
"density_atomic": 0.03491125255849535,
"volume": 286.440596287531,
"volume_molar": 17.24985590221845,
"formula_full": "Rb4 P4 Pt2",
"formula_reduced": "Rb2P2Pt",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.3088884800000002,
"spacegroup": 63
},
{
"id": "jvasp-96851",
"created_at": "2022-09-04T14:36:02.193611Z",
"updated_at": "2022-09-04T14:36:02.193640Z",
"structure_string": "Rb4 P4 Pb4 S16\n1.0\n6.512040 0.000000 0.000000\n0.000000 6.749466 0.000000\n0.000000 0.000000 17.177215\nRb P Pb S\n4 4 4 16\ndirect\n0.006652 0.004970 0.042111 Rb\n0.506652 0.495030 0.957889 Rb\n0.993348 0.504970 0.457889 Rb\n0.493348 0.995031 0.542111 Rb\n0.221038 0.011281 0.347475 P\n0.278962 0.988720 0.847476 P\n0.721038 0.488719 0.652525 P\n0.778962 0.511281 0.152525 P\n0.213678 0.524132 0.728972 Pb\n0.713678 0.975869 0.271028 Pb\n0.786322 0.024132 0.771029 Pb\n0.286322 0.475868 0.228972 Pb\n0.461800 0.492624 0.584854 S\n0.389907 0.758228 0.367277 S\n0.849740 0.533074 0.270313 S\n0.594716 0.749267 0.126118 S\n0.094716 0.750734 0.873882 S\n0.650260 0.466927 0.770313 S\n0.110093 0.241773 0.867277 S\n0.150260 0.033073 0.229687 S\n0.961800 0.007376 0.415146 S\n0.889907 0.741773 0.632723 S\n0.905284 0.250734 0.626119 S\n0.405284 0.249266 0.373882 S\n0.538199 0.992625 0.915146 S\n0.349740 0.966927 0.729687 S\n0.038200 0.507376 0.084854 S\n0.610093 0.258228 0.132723 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
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],
"chemical_system": "P-Pb-Rb-S",
"density": 3.9757009193375814,
"density_atomic": 0.03708675252361791,
"volume": 754.986567836286,
"volume_molar": 16.237983512212153,
"formula_full": "Rb4 P4 Pb4 S16",
"formula_reduced": "RbPPbS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.4994966171428572,
"spacegroup": 19
},
{
"id": "jvasp-24974",
"created_at": "2022-09-04T14:38:18.346663Z",
"updated_at": "2022-09-04T14:38:18.346688Z",
"structure_string": "Rb4 P4 O8 F8\n1.0\n6.625416 -0.000000 0.000000\n-0.000000 7.654423 0.000000\n0.000000 0.000000 7.837943\nRb P O F\n4 4 8 8\ndirect\n0.250000 0.355547 0.631887 Rb\n0.750000 0.855547 0.868112 Rb\n0.750000 0.644453 0.368112 Rb\n0.250000 0.144453 0.131888 Rb\n0.750000 0.318659 0.880080 P\n0.250000 0.681341 0.119920 P\n0.250000 0.818659 0.619920 P\n0.750000 0.181341 0.380080 P\n0.053459 0.725767 0.619352 O\n0.053459 0.774233 0.119353 O\n0.446541 0.725767 0.619352 O\n0.553459 0.274233 0.380647 O\n0.946542 0.225767 0.880647 O\n0.553459 0.225767 0.880647 O\n0.446541 0.774233 0.119353 O\n0.946542 0.274233 0.380647 O\n0.750000 0.455307 0.725575 F\n0.750000 0.038437 0.529102 F\n0.250000 0.955307 0.774424 F\n0.250000 0.544693 0.274424 F\n0.750000 0.044693 0.225575 F\n0.250000 0.961563 0.470898 F\n0.750000 0.461563 0.029102 F\n0.250000 0.538437 0.970898 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"O",
"F"
],
"chemical_system": "F-O-P-Rb",
"density": 3.115400429613554,
"density_atomic": 0.060378668304364225,
"volume": 397.4913769051322,
"volume_molar": 9.973954260870496,
"formula_full": "Rb4 P4 O8 F8",
"formula_reduced": "RbP(OF)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.7817905108333334,
"spacegroup": 62
},
{
"id": "jvasp-99055",
"created_at": "2022-09-04T14:36:18.210609Z",
"updated_at": "2022-09-04T14:36:18.210639Z",
"structure_string": "Rb4 P4 O12\n1.0\n4.233310 0.000000 0.000000\n0.000000 6.423038 -0.706396\n0.000000 -0.052701 12.135439\nRb P O\n4 4 12\ndirect\n0.140447 0.777583 0.091796 Rb\n0.859553 0.222418 0.908204 Rb\n0.359553 0.277583 0.591796 Rb\n0.640447 0.722418 0.408204 Rb\n0.493623 0.318712 0.177968 P\n0.993623 0.181288 0.322032 P\n0.506376 0.681288 0.822032 P\n0.006377 0.818713 0.677968 P\n0.755042 0.651434 0.718435 O\n0.255042 0.848567 0.781565 O\n0.852776 0.026833 0.675770 O\n0.337954 0.212440 0.076347 O\n0.837954 0.287560 0.423653 O\n0.662046 0.787560 0.923653 O\n0.162046 0.712441 0.576347 O\n0.647224 0.526833 0.175769 O\n0.147224 0.973168 0.324230 O\n0.352776 0.473168 0.824230 O\n0.744958 0.151434 0.218435 O\n0.244958 0.348566 0.281565 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "O-P-Rb",
"density": 3.311672217877675,
"density_atomic": 0.06064030989637636,
"volume": 329.8136179412092,
"volume_molar": 9.930920159034116,
"formula_full": "Rb4 P4 O12",
"formula_reduced": "RbPO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5001192,
"spacegroup": 14
},
{
"id": "jvasp-96166",
"created_at": "2022-09-04T14:36:03.642533Z",
"updated_at": "2022-09-04T14:36:03.642548Z",
"structure_string": "Rb4 P4 H16 O20\n1.0\n6.910096 0.000000 -1.793895\n0.000000 7.735656 0.000000\n0.089517 0.000000 9.440104\nRb P H O\n4 4 16 20\ndirect\n0.823325 0.221289 0.459504 Rb\n0.176676 0.721289 0.040496 Rb\n0.176676 0.778712 0.540496 Rb\n0.823325 0.278712 0.959504 Rb\n0.367445 0.209977 0.151148 P\n0.632555 0.709978 0.348852 P\n0.632556 0.790023 0.848852 P\n0.367446 0.290023 0.651148 P\n0.362395 0.175733 0.441294 H\n0.637606 0.675734 0.058706 H\n0.362395 0.324267 0.941294 H\n0.120745 0.409738 0.277110 H\n0.879256 0.909738 0.222890 H\n0.879256 0.590262 0.722890 H\n0.120745 0.090262 0.777110 H\n0.637606 0.824267 0.558706 H\n0.066813 0.016463 0.211559 H\n0.066813 0.483537 0.711559 H\n0.933188 0.983537 0.788441 H\n0.577715 0.509115 0.668353 H\n0.422287 0.009114 0.831647 H\n0.422286 0.490886 0.331647 H\n0.577714 0.990886 0.168353 H\n0.933188 0.516463 0.288442 H\n0.569834 0.378352 0.653319 O\n0.202242 0.086360 0.098049 O\n0.797759 0.586360 0.401951 O\n0.003350 0.034802 0.719006 O\n0.202242 0.413641 0.598049 O\n0.430168 0.878352 0.846681 O\n0.996651 0.534803 0.780994 O\n0.797759 0.913641 0.901951 O\n0.430167 0.621648 0.346681 O\n0.639464 0.868390 0.457410 O\n0.360537 0.131611 0.542590 O\n0.639464 0.631611 0.957410 O\n0.360537 0.368389 0.042590 O\n0.377391 0.208480 0.801299 O\n0.622610 0.708481 0.698701 O\n0.622610 0.791520 0.198702 O\n0.377391 0.291520 0.301299 O\n0.996651 0.965198 0.280994 O\n0.569833 0.121648 0.153320 O\n0.003350 0.465198 0.219007 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
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"H",
"O"
],
"chemical_system": "H-O-P-Rb",
"density": 2.632287752960086,
"density_atomic": 0.08698149400932596,
"volume": 505.8547280790833,
"volume_molar": 6.923473583190374,
"formula_full": "Rb4 P4 H16 O20",
"formula_reduced": "RbPH4O5",
"formula_anonymous": "ABC4D5",
"energy_above_hull": 2.532437545454545,
"spacegroup": 14
},
{
"id": "jvasp-104796",
"created_at": "2022-09-04T14:36:51.097745Z",
"updated_at": "2022-09-04T14:36:51.097762Z",
"structure_string": "Rb4 O2\n1.0\n4.758111 -0.000000 0.000000\n0.000000 4.799938 0.000000\n0.000000 -0.000000 6.759296\nRb O\n4 2\ndirect\n-0.000000 0.499848 0.750229 Rb\n-0.000000 0.500153 0.249772 Rb\n0.500000 0.000153 0.250229 Rb\n0.500000 -0.000153 0.749772 Rb\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 6,
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"elements": [
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],
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"volume": 154.37311310750854,
"volume_molar": 15.49427694488029,
"formula_full": "Rb4 O2",
"formula_reduced": "Rb2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}