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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4555",
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"results": [
{
"id": "jvasp-90191",
"created_at": "2022-09-04T14:36:21.124142Z",
"updated_at": "2022-09-04T14:36:21.124168Z",
"structure_string": "Rb2 Mn1 Cl4 O2\n1.0\n5.663518 0.230622 0.475173\n0.853679 5.986423 2.810406\n0.326174 0.412261 6.622972\nRb Mn Cl O\n2 1 4 2\ndirect\n0.782875 0.830795 0.859449 Rb\n0.217125 0.169204 0.140551 Rb\n-0.000000 0.500000 0.500000 Mn\n0.238984 0.131229 0.652096 Cl\n0.761016 0.868770 0.347904 Cl\n0.721816 0.365429 0.812176 Cl\n0.278184 0.634570 0.187824 Cl\n0.142390 0.577283 0.646412 O\n0.857610 0.422716 0.353588 O\n",
"nsites": 9,
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"elements": [
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],
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"density": 3.070774288322786,
"density_atomic": 0.04164127906347061,
"volume": 216.1316895737518,
"volume_molar": 14.461949525663975,
"formula_full": "Rb2 Mn1 Cl4 O2",
"formula_reduced": "Rb2Mn(Cl2O)2",
"formula_anonymous": "AB2C2D4",
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{
"id": "jvasp-85570",
"created_at": "2022-09-04T14:36:21.201759Z",
"updated_at": "2022-09-04T14:36:21.201774Z",
"structure_string": "Hg8 Cl4 O4\n1.0\n7.461892 0.428640 0.783638\n-3.555575 5.278449 -1.810707\n1.256037 0.180948 9.137779\nHg Cl O\n8 4 4\ndirect\n0.812093 0.089084 0.889777 Hg\n0.249647 0.150232 0.396290 Hg\n0.371952 -0.000359 0.707407 Hg\n0.627727 0.000539 0.290206 Hg\n-0.000160 0.500089 0.498804 Hg\n0.187554 0.911060 0.107829 Hg\n0.750010 0.849919 0.601316 Hg\n0.499828 0.500079 0.998812 Hg\n0.694095 0.590033 0.330016 Cl\n-0.030853 0.663202 0.884158 Cl\n0.030506 0.336961 0.113441 Cl\n0.305553 0.410117 0.667589 Cl\n0.740087 0.172840 0.504097 O\n0.259604 0.827337 0.493523 O\n0.475936 0.159377 0.924703 O\n0.523719 0.840785 0.072910 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hg",
"Cl",
"O"
],
"chemical_system": "Cl-Hg-O",
"density": 8.134159863106145,
"density_atomic": 0.04328904044597402,
"volume": 369.6085622403311,
"volume_molar": 13.911467424453093,
"formula_full": "Hg8 Cl4 O4",
"formula_reduced": "Hg2ClO",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.00735,
"spacegroup": 2
},
{
"id": "jvasp-95439",
"created_at": "2022-09-04T14:36:21.734122Z",
"updated_at": "2022-09-04T14:36:21.734144Z",
"structure_string": "K4 S4 N2 O14\n1.0\n6.663855 -0.529896 2.723624\n1.058785 6.910754 0.982058\n-0.087427 -0.004711 7.496012\nK S N O\n4 4 2 14\ndirect\n0.147243 0.298484 0.341379 K\n0.282686 0.802951 0.924051 K\n0.852758 0.701515 0.658620 K\n0.717315 0.197048 0.075948 K\n0.255892 0.354646 0.830670 S\n0.308894 0.818527 0.373788 S\n0.691108 0.181472 0.626212 S\n0.744109 0.645353 0.169329 S\n0.472871 0.335549 0.607254 N\n0.527131 0.664450 0.392745 N\n0.555207 0.643848 0.551203 O\n0.350978 0.391886 0.961848 O\n0.138922 0.516888 0.775009 O\n0.189537 0.691260 0.330714 O\n0.839518 0.824629 0.122956 O\n0.217714 0.892773 0.560266 O\n0.782288 0.107226 0.439734 O\n0.861080 0.483111 0.224990 O\n0.649023 0.608113 0.038151 O\n0.395631 0.962796 0.214764 O\n0.604370 0.037204 0.785235 O\n0.160483 0.175370 0.877043 O\n0.444794 0.356151 0.448796 O\n0.810464 0.308739 0.669285 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"S",
"N",
"O"
],
"chemical_system": "K-N-O-S",
"density": 2.537981963040508,
"density_atomic": 0.06835226428912665,
"volume": 351.122237860054,
"volume_molar": 8.810448084831027,
"formula_full": "K4 S4 N2 O14",
"formula_reduced": "K2S2NO7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.3197628125,
"spacegroup": 2
},
{
"id": "jvasp-95133",
"created_at": "2022-09-04T14:36:21.938004Z",
"updated_at": "2022-09-04T14:36:21.938020Z",
"structure_string": "Re4 Cl10 O8\n1.0\n5.361234 0.034724 0.913612\n1.110679 8.090739 3.385769\n0.159948 0.062308 11.027948\nRe Cl O\n4 10 8\ndirect\n0.211321 0.405616 0.351224 Re\n0.334613 0.893312 0.810415 Re\n0.788678 0.594383 0.648776 Re\n0.665387 0.106687 0.189586 Re\n0.568235 0.109409 0.700734 Cl\n0.979626 0.364142 0.787303 Cl\n0.431764 0.890591 0.299266 Cl\n0.218964 0.928568 0.609456 Cl\n0.020374 0.635857 0.212697 Cl\n0.781036 0.071432 0.390544 Cl\n0.772134 0.373068 0.108657 Cl\n0.583668 0.803350 0.979820 Cl\n0.227866 0.626932 0.891344 Cl\n0.416332 0.196650 0.020180 Cl\n0.479493 0.447414 0.387027 O\n0.983986 0.670280 0.503163 O\n0.702389 0.746288 0.719193 O\n0.073137 0.990524 0.872660 O\n0.297611 0.253712 0.280808 O\n0.926862 0.009476 0.127340 O\n0.016014 0.329720 0.496838 O\n0.520507 0.552586 0.612973 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Re",
"Cl",
"O"
],
"chemical_system": "Cl-O-Re",
"density": 4.284396274375083,
"density_atomic": 0.04624807461993003,
"volume": 475.69547880203805,
"volume_molar": 13.021386964733951,
"formula_full": "Re4 Cl10 O8",
"formula_reduced": "Re2Cl5O4",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 2.5436536670454544,
"spacegroup": 2
},
{
"id": "jvasp-85711",
"created_at": "2022-09-04T14:36:21.883402Z",
"updated_at": "2022-09-04T14:36:21.883420Z",
"structure_string": "Li2 Al2 P2 H2 O10\n1.0\n2.787375 3.864974 -1.674099\n-3.171860 3.878085 1.491344\n0.003325 -0.004612 7.072909\nLi Al P H O\n2 2 2 2 10\ndirect\n0.249410 0.389907 0.683452 Li\n0.750589 0.610092 0.316547 Li\n0.000000 0.000000 0.000000 Al\n-0.000000 0.000001 0.500000 Al\n0.674373 0.639966 0.732032 P\n0.325626 0.360033 0.267967 P\n0.652172 0.072026 0.150927 H\n0.347827 0.927974 0.849072 H\n0.261740 0.211399 0.104464 O\n0.738259 0.788601 0.895536 O\n0.881400 0.670942 0.610558 O\n0.118599 0.329057 0.389442 O\n0.305646 0.668569 0.162371 O\n0.643506 0.238560 0.430106 O\n0.694353 0.331431 0.837628 O\n0.856914 0.960925 0.224124 O\n0.356493 0.761439 0.569893 O\n0.143085 0.039075 0.775875 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Li",
"Al",
"P",
"H",
"O"
],
"chemical_system": "Al-H-Li-O-P",
"density": 2.9690674607781733,
"density_atomic": 0.11029466162626202,
"volume": 163.1991950888225,
"volume_molar": 5.46004735968661,
"formula_full": "Li2 Al2 P2 H2 O10",
"formula_reduced": "LiAlPHO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.348285088888889,
"spacegroup": 2
},
{
"id": "jvasp-88587",
"created_at": "2022-09-04T14:36:21.887564Z",
"updated_at": "2022-09-04T14:36:21.887593Z",
"structure_string": "Bi2 Xe2 F18\n1.0\n5.365810 0.042370 1.784514\n0.008627 7.644677 1.479228\n0.137175 -0.047857 8.552638\nBi Xe F\n2 2 18\ndirect\n0.207804 0.343730 0.743351 Bi\n0.792197 0.656270 0.256648 Bi\n0.301844 0.169799 0.214096 Xe\n0.698158 0.830200 0.785903 Xe\n0.942067 0.882713 0.268645 F\n0.971056 0.209365 0.390668 F\n0.142047 0.549456 0.174910 F\n0.875385 0.779982 0.985100 F\n0.266979 0.449697 0.498068 F\n0.662341 0.457861 0.181316 F\n0.462621 0.123203 0.392365 F\n0.456399 0.784024 0.287439 F\n0.543602 0.215976 0.712561 F\n0.337660 0.542139 0.818683 F\n0.028945 0.790635 0.609331 F\n0.124616 0.220018 0.014900 F\n0.733023 0.550303 0.501931 F\n0.537381 0.876797 0.607635 F\n0.638312 0.123265 0.045180 F\n0.857954 0.450544 0.825089 F\n0.057935 0.117287 0.731355 F\n0.361690 0.876735 0.954819 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Bi",
"Xe",
"F"
],
"chemical_system": "Bi-F-Xe",
"density": 4.860376911291989,
"density_atomic": 0.06297563367007354,
"volume": 349.34146300546956,
"volume_molar": 9.562652106923958,
"formula_full": "Bi2 Xe2 F18",
"formula_reduced": "BiXeF9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-85934",
"created_at": "2022-09-04T14:36:21.892093Z",
"updated_at": "2022-09-04T14:36:21.892114Z",
"structure_string": "Li2 U2 As2 O12\n1.0\n5.021007 -0.003429 -0.651124\n-1.397828 5.203560 0.009631\n0.015470 0.078432 10.107198\nLi U As O\n2 2 2 12\ndirect\n0.953809 0.561533 0.226626 Li\n0.046191 0.438467 0.773374 Li\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.411857 0.015847 0.741312 As\n0.588143 0.984153 0.258688 As\n0.183374 0.824821 0.836995 O\n0.538202 0.172897 0.382077 O\n0.273730 0.858074 0.164093 O\n0.461798 0.827103 0.617923 O\n0.280486 0.256338 0.669688 O\n0.726270 0.141925 0.835908 O\n0.719514 0.743662 0.330312 O\n0.823721 0.502572 0.606806 O\n0.235932 0.310587 0.972481 O\n0.176279 0.497427 0.393194 O\n0.816626 0.175178 0.163005 O\n0.764068 0.689412 0.027520 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"U",
"As",
"O"
],
"chemical_system": "As-Li-O-U",
"density": 5.2289627293907595,
"density_atomic": 0.0681447908318863,
"volume": 264.1434478008177,
"volume_molar": 8.837272352712425,
"formula_full": "Li2 U2 As2 O12",
"formula_reduced": "LiUAsO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.8212854166666665,
"spacegroup": 2
},
{
"id": "jvasp-122115",
"created_at": "2022-09-04T14:38:55.468256Z",
"updated_at": "2022-09-04T14:38:55.468280Z",
"structure_string": "Li2 Mn4 Te2 O12\n1.0\n4.940280 0.183509 -0.139496\n0.070284 5.155005 -0.011589\n0.090950 -0.018758 8.557564\nLi Mn Te O\n2 4 2 12\ndirect\n0.515120 0.498562 0.909154 Li\n0.566488 0.902871 0.198509 Li\n0.505179 0.989278 0.673541 Mn\n0.021724 -0.002899 0.368024 Mn\n0.015539 0.496323 0.779573 Mn\n0.005039 0.503808 0.185299 Mn\n0.514866 0.481601 0.479611 Te\n0.014219 0.005003 0.987392 Te\n0.254796 0.822408 0.823078 O\n0.813059 0.185284 0.191580 O\n0.314437 0.320845 0.660910 O\n0.778723 0.687913 0.028554 O\n0.753742 0.172736 0.835123 O\n0.218849 0.291373 0.328963 O\n0.275097 0.856578 0.515887 O\n0.708419 0.667598 0.667721 O\n0.811636 0.697346 0.338910 O\n0.214203 0.800124 0.205225 O\n0.193365 0.364366 0.000680 O\n0.755096 0.146469 0.516755 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Li-Mn-O-Te",
"density": 5.188559831696983,
"density_atomic": 0.09178906998943893,
"volume": 217.8908665519888,
"volume_molar": 6.560847343472262,
"formula_full": "Li2 Mn4 Te2 O12",
"formula_reduced": "LiMn2TeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": null,
"spacegroup": 1
},
{
"id": "jvasp-120845",
"created_at": "2022-09-04T14:38:54.728162Z",
"updated_at": "2022-09-04T14:38:54.728192Z",
"structure_string": "B2 Se1\n1.0\n4.893383 -0.318061 -0.756559\n1.359637 -3.736193 -0.003996\n2.336231 0.483470 -2.612279\nB Se\n2 1\ndirect\n0.901096 0.560135 0.520626 B\n0.456719 0.450272 0.059954 B\n0.877663 0.914005 0.001138 Se\n",
"nsites": 3,
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"elements": [
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],
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"density": 4.223974951156359,
"density_atomic": 0.07587054860124574,
"volume": 39.541034766562134,
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"formula_full": "B2 Se1",
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"formula_anonymous": "AB2",
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"spacegroup": 1
},
{
"id": "jvasp-121071",
"created_at": "2022-09-04T14:38:54.675347Z",
"updated_at": "2022-09-04T14:38:54.675374Z",
"structure_string": "P3 H1\n1.0\n3.442181 0.528890 0.342949\n-2.805003 -4.904042 -0.727457\n-0.719385 -1.883666 -5.132175\nP H\n3 1\ndirect\n0.027718 0.687745 0.136355 P\n0.217581 0.418523 0.042248 P\n0.781677 0.874757 0.712129 P\n0.791351 0.691722 0.606770 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"P",
"H"
],
"chemical_system": "H-P",
"density": 2.0745918097797538,
"density_atomic": 0.05320381923451301,
"volume": 75.1825725587238,
"volume_molar": 11.319000866188704,
"formula_full": "P3 H1",
"formula_reduced": "P3H",
"formula_anonymous": "AB3",
"energy_above_hull": 2.901661625,
"spacegroup": 1
},
{
"id": "jvasp-121187",
"created_at": "2022-09-04T14:38:54.656935Z",
"updated_at": "2022-09-04T14:38:54.656947Z",
"structure_string": "Li1 S3\n1.0\n5.071366 -0.843748 0.019639\n2.059116 -3.412727 -0.071506\n0.643677 0.450955 -5.129417\nLi S\n1 3\ndirect\n0.067448 -0.195953 0.854324 Li\n0.654283 0.649253 0.885186 S\n0.525757 0.733150 0.283340 S\n0.159048 0.688570 0.359848 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
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],
"chemical_system": "Li-S",
"density": 2.1373524100674968,
"density_atomic": 0.04992024926931354,
"volume": 80.12780501997291,
"volume_molar": 12.063523015502787,
"formula_full": "Li1 S3",
"formula_reduced": "LiS3",
"formula_anonymous": "AB3",
"energy_above_hull": null,
"spacegroup": 1
},
{
"id": "jvasp-111646",
"created_at": "2022-09-04T14:38:54.506812Z",
"updated_at": "2022-09-04T14:38:54.506849Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.313166 -0.017011 -2.149509\n-2.250709 5.757471 -1.579444\n-0.010079 -0.009837 7.501614\nLi Mn Co O\n8 2 4 14\ndirect\n0.072421 0.563647 0.851033 Li\n0.634586 0.154630 0.715449 Li\n0.231512 0.706536 0.582999 Li\n0.787804 0.292495 0.436760 Li\n0.360515 0.856978 0.288024 Li\n0.913498 0.429214 0.130985 Li\n0.498018 0.998355 0.994461 Li\n0.565552 0.562367 0.851202 Li\n0.995577 0.995313 0.995505 Mn\n0.850514 0.853957 0.283077 Mn\n0.285722 0.286954 0.429963 Co\n0.430683 0.430540 0.142251 Co\n0.146302 0.146436 0.716384 Co\n0.715105 0.712533 0.573469 Co\n0.057007 0.278451 0.934165 O\n0.967694 0.737876 0.083102 O\n0.511564 0.284992 0.930714 O\n0.089919 0.865526 0.784715 O\n0.659424 0.433294 0.627105 O\n0.229894 0.010762 0.499482 O\n0.805756 0.583164 0.353529 O\n0.372475 0.154160 0.208619 O\n0.179235 0.406076 0.633590 O\n0.770083 0.989510 0.502794 O\n0.345006 0.559118 0.363112 O\n0.904421 0.128825 0.211577 O\n0.484772 0.714865 0.089056 O\n0.634944 0.863417 0.786872 O\n",
"nsites": 28,
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"elements": [
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"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.5342573907608426,
"density_atomic": 0.12230545430809077,
"volume": 228.9350066879866,
"volume_molar": 4.923852982737845,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.555512395812808,
"spacegroup": 1
}
]
}