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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4411",
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"results": [
{
"id": "jvasp-110679",
"created_at": "2022-09-04T14:38:39.236579Z",
"updated_at": "2022-09-04T14:38:39.236601Z",
"structure_string": "Rb2 Nd1 Cu1 Br6\n1.0\n6.752430 -0.000000 3.898517\n2.250810 6.366252 3.898517\n-0.000000 -0.000000 7.797035\nRb Nd Cu Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Cu\n0.759572 0.240428 0.240429 Br\n0.240429 0.240428 0.759571 Br\n0.240429 0.759571 0.759571 Br\n0.240429 0.759571 0.240429 Br\n0.759572 0.240428 0.759571 Br\n0.759572 0.759571 0.240429 Br\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.029835038317278018,
"volume": 335.17637529591565,
"volume_molar": 20.18479311458591,
"formula_full": "Rb2 Nd1 Cu1 Br6",
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"spacegroup": 225
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{
"id": "jvasp-100095",
"created_at": "2022-09-04T14:36:38.929925Z",
"updated_at": "2022-09-04T14:36:38.929952Z",
"structure_string": "Rb2 Nd1 Cu1 Cl6\n1.0\n6.409200 -0.000000 3.700354\n2.136400 6.042652 3.700354\n0.000000 0.000000 7.400707\nRb Nd Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Cu\n0.759191 0.240809 0.240809 Cl\n0.240809 0.240809 0.759191 Cl\n0.240809 0.759190 0.759191 Cl\n0.240809 0.759190 0.240809 Cl\n0.759191 0.240809 0.759190 Cl\n0.759191 0.759190 0.240809 Cl\n",
"nsites": 10,
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"Cl"
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"density_atomic": 0.034889551108455624,
"volume": 286.6187635637553,
"volume_molar": 17.260585386380935,
"formula_full": "Rb2 Nd1 Cu1 Cl6",
"formula_reduced": "Rb2NdCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-10709",
"created_at": "2022-09-04T14:37:19.790047Z",
"updated_at": "2022-09-04T14:37:19.790076Z",
"structure_string": "Rb2 Nd4 Cu2 S8\n1.0\n4.088792 -0.000000 -0.000000\n-2.044396 7.027004 0.000000\n-0.000000 -0.000000 14.052345\nRb Nd Cu S\n2 4 2 8\ndirect\n0.893425 0.786854 0.250000 Rb\n0.106573 0.213146 0.750000 Rb\n0.365568 0.731137 0.938426 Nd\n0.634431 0.268863 0.438426 Nd\n0.365568 0.731137 0.561575 Nd\n0.634431 0.268863 0.061574 Nd\n0.836115 0.672231 0.750000 Cu\n0.163884 0.327768 0.250000 Cu\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.573184 0.146370 0.250000 S\n0.426814 0.853629 0.750000 S\n0.261901 0.523804 0.386726 S\n0.738097 0.476195 0.886727 S\n0.738097 0.476195 0.613274 S\n0.261901 0.523804 0.113274 S\n",
"nsites": 16,
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"elements": [
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"Cu",
"S"
],
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"density": 4.653670399375837,
"density_atomic": 0.03962834726149114,
"volume": 403.7513826762088,
"volume_molar": 15.196547865754717,
"formula_full": "Rb2 Nd4 Cu2 S8",
"formula_reduced": "RbNd2CuS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.16181043125,
"spacegroup": 63
},
{
"id": "jvasp-57370",
"created_at": "2022-09-04T14:37:44.730102Z",
"updated_at": "2022-09-04T14:37:44.730118Z",
"structure_string": "Rb2 Nd2 W4 O16\n1.0\n6.775176 -0.009727 3.527452\n-1.726197 6.551592 3.527452\n-0.004287 -0.005555 7.690270\nRb Nd W O\n2 2 4 16\ndirect\n0.800809 0.199191 0.750000 Rb\n0.199190 0.800809 0.250000 Rb\n0.227593 0.772407 0.750000 Nd\n0.772407 0.227593 0.250000 Nd\n0.691341 0.694999 0.768093 W\n0.694999 0.691341 0.268094 W\n0.308658 0.305001 0.231906 W\n0.305000 0.308659 0.731906 W\n0.618787 0.756942 0.060400 O\n0.243057 0.381213 0.439600 O\n0.926116 0.609578 0.136601 O\n0.369223 0.581233 0.976204 O\n0.795087 0.946035 0.189930 O\n0.053964 0.204913 0.310070 O\n0.418767 0.630776 0.523795 O\n0.390421 0.073884 0.363399 O\n0.381213 0.243057 0.939600 O\n0.756943 0.618787 0.560400 O\n0.946036 0.795087 0.689930 O\n0.073884 0.390421 0.863399 O\n0.204912 0.053965 0.810070 O\n0.581233 0.369224 0.476204 O\n0.609579 0.926116 0.636601 O\n0.630776 0.418767 0.023795 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Rb",
"Nd",
"W",
"O"
],
"chemical_system": "Nd-O-Rb-W",
"density": 7.054476519224631,
"density_atomic": 0.07027945259673163,
"volume": 341.49383800288916,
"volume_molar": 8.56884983802515,
"formula_full": "Rb2 Nd2 W4 O16",
"formula_reduced": "RbNd(WO4)2",
"formula_anonymous": "ABC2D8",
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"spacegroup": 15
},
{
"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,
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"elements": [
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"P",
"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",
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"spacegroup": 14
},
{
"id": "jvasp-51700",
"created_at": "2022-09-04T14:38:20.595629Z",
"updated_at": "2022-09-04T14:38:20.595655Z",
"structure_string": "Rb2 P2 H4 O8\n1.0\n-3.780570 3.780570 3.633018\n3.780570 -3.780570 3.633018\n3.780570 3.780570 -3.633018\nRb P H O\n2 2 4 8\ndirect\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.750000 0.250000 0.500000 P\n0.000000 0.000000 0.000000 P\n0.734301 0.125000 0.109301 H\n0.015699 0.625000 0.890699 H\n0.375000 0.265699 0.390699 H\n0.875000 0.984301 0.609301 H\n0.728279 0.281464 0.266724 O\n0.735261 0.968537 0.946817 O\n0.014739 0.461556 0.733276 O\n0.021721 0.788444 0.053183 O\n0.538444 0.271721 0.553183 O\n0.031463 0.978279 0.766724 O\n0.718537 0.985261 0.446817 O\n0.211556 0.264739 0.233276 O\n",
"nsites": 16,
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"elements": [
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"P",
"H",
"O"
],
"chemical_system": "H-O-P-Rb",
"density": 2.9173790098758587,
"density_atomic": 0.07703318849939277,
"volume": 207.7026838909326,
"volume_molar": 7.817592491381128,
"formula_full": "Rb2 P2 H4 O8",
"formula_reduced": "RbP(HO2)2",
"formula_anonymous": "ABC2D4",
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"spacegroup": 122
},
{
"id": "jvasp-51802",
"created_at": "2022-09-04T14:37:05.858872Z",
"updated_at": "2022-09-04T14:37:05.858888Z",
"structure_string": "Rb2 P2 H4 O8\n1.0\n0.000000 4.877020 -0.015138\n6.005074 0.000000 0.000000\n0.000000 -2.315028 -7.092838\nRb P H O\n2 2 4 8\ndirect\n0.225090 0.749999 0.251492 Rb\n0.774910 0.250000 0.748509 Rb\n0.715079 0.250000 0.250369 P\n0.284921 0.749999 0.749631 P\n0.193034 0.250000 0.380640 H\n0.806966 0.749999 0.619360 H\n0.500000 0.000000 0.000000 H\n0.500000 0.500000 0.000000 H\n0.007364 0.250000 0.417494 O\n-0.007364 0.749999 0.582506 O\n0.473947 0.250000 0.338316 O\n0.526053 0.749999 0.661685 O\n0.714818 0.038456 0.129432 O\n0.285182 0.538456 0.870568 O\n0.285182 0.961543 0.870568 O\n0.714818 0.461544 0.129432 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"H",
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],
"chemical_system": "H-O-P-Rb",
"density": 2.9140853173335346,
"density_atomic": 0.07694621877841616,
"volume": 207.9374432429952,
"volume_molar": 7.826428453023926,
"formula_full": "Rb2 P2 H4 O8",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 11
},
{
"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,
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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",
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"formula_anonymous": "ABC2D2",
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},
{
"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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"P",
"Pb",
"S"
],
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"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",
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"spacegroup": 19
},
{
"id": "jvasp-54507",
"created_at": "2022-09-04T14:38:34.577636Z",
"updated_at": "2022-09-04T14:38:34.577665Z",
"structure_string": "Rb2 Pb2 I2 O12\n1.0\n2.772394 -4.801929 -0.000000\n2.772394 4.801929 0.000000\n0.000000 -0.000000 12.262958\nRb Pb I O\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.666666 0.333332 0.250000 Pb\n0.333332 0.666666 0.750000 Pb\n0.333332 0.666666 0.250000 I\n0.666666 0.333332 0.750000 I\n0.039187 0.638911 0.157968 O\n0.638910 0.599723 0.657968 O\n0.599722 0.960811 0.157968 O\n0.039187 0.400276 0.342032 O\n0.960812 0.361088 0.657968 O\n0.400276 0.361088 0.842032 O\n0.638911 0.039187 0.842032 O\n0.361088 0.400276 0.157968 O\n0.960811 0.599722 0.842032 O\n0.400276 0.039187 0.657968 O\n0.599723 0.638910 0.342032 O\n0.361088 0.960812 0.342032 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"Pb",
"I",
"O"
],
"chemical_system": "I-O-Pb-Rb",
"density": 5.244084611765352,
"density_atomic": 0.05512855179947812,
"volume": 326.50957466599726,
"volume_molar": 10.923814545146476,
"formula_full": "Rb2 Pb2 I2 O12",
"formula_reduced": "RbPbIO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 1.6752442327777777,
"spacegroup": 182
},
{
"id": "jvasp-107845",
"created_at": "2022-09-04T14:38:18.455844Z",
"updated_at": "2022-09-04T14:38:18.455866Z",
"structure_string": "Rb2 Pd1 Au1 F6\n1.0\n5.373507 -0.000000 3.102396\n1.791169 5.066191 3.102396\n-0.000000 -0.000000 6.204792\nRb Pd Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Au\n0.239031 0.239030 0.760970 F\n0.239031 0.760969 0.760970 F\n0.760970 0.760969 0.239031 F\n0.239031 0.760969 0.239031 F\n0.760970 0.239030 0.760970 F\n0.760970 0.239030 0.239031 F\n",
"nsites": 10,
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"elements": [
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"F"
],
"chemical_system": "Au-F-Pd-Rb",
"density": 5.783498577929706,
"density_atomic": 0.059201593221303604,
"volume": 168.91437300713582,
"volume_molar": 10.172261306361165,
"formula_full": "Rb2 Pd1 Au1 F6",
"formula_reduced": "Rb2PdAuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-56953",
"created_at": "2022-09-04T14:37:29.983219Z",
"updated_at": "2022-09-04T14:37:29.983238Z",
"structure_string": "Rb2 Pd1 I2 Br4\n1.0\n6.829511 0.007271 -2.675316\n-3.652567 6.043290 -1.984185\n0.004394 -0.007271 7.334816\nRb Pd I Br\n2 1 2 4\ndirect\n0.499999 0.250000 0.750000 Rb\n0.499999 0.750000 0.250000 Rb\n0.000000 0.000000 0.000000 Pd\n-0.000000 0.332001 0.332001 I\n-0.000001 0.667999 0.668000 I\n-0.000001 0.787829 0.212172 Br\n0.575656 0.787829 0.787829 Br\n-0.000001 0.212171 0.787829 Br\n0.424343 0.212171 0.212171 Br\n",
"nsites": 9,
"nelements": 4,
"elements": [
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"I",
"Br"
],
"chemical_system": "Br-I-Pd-Rb",
"density": 4.66526586658013,
"density_atomic": 0.02972023662761507,
"volume": 302.8239684887803,
"volume_molar": 20.262761819347105,
"formula_full": "Rb2 Pd1 I2 Br4",
"formula_reduced": "Rb2Pd(IBr2)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 0.0,
"spacegroup": 139
}
]
}