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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4534",
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"results": [
{
"id": "jvasp-9511",
"created_at": "2022-09-04T14:37:09.123380Z",
"updated_at": "2022-09-04T14:37:09.123408Z",
"structure_string": "Mg2 Mn2 Si2 O10\n1.0\n5.044609 -0.288418 0.110981\n-1.483172 5.169285 -0.047282\n-1.486825 -2.257822 6.219795\nMg Mn Si O\n2 2 2 10\ndirect\n0.356522 0.217855 0.771505 Mg\n0.642545 0.783083 0.241251 Mg\n-0.000481 0.500490 0.506472 Mn\n-0.000464 0.500483 0.006466 Mn\n0.693223 0.822481 0.748228 Si\n0.305834 0.178517 0.264696 Si\n0.699687 0.636157 0.909889 O\n0.983671 0.855418 0.661815 O\n0.299371 0.364850 0.103046 O\n0.015378 0.145560 0.351114 O\n0.593432 0.294640 0.477032 O\n0.300476 0.872673 0.126214 O\n0.405586 0.706356 0.535930 O\n0.698584 0.128327 0.886713 O\n0.888292 0.558942 0.255056 O\n0.110756 0.442015 0.757872 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.883440152341981,
"density_atomic": 0.09987585297465404,
"volume": 160.19888214682277,
"volume_molar": 6.029626361767611,
"formula_full": "Mg2 Mn2 Si2 O10",
"formula_reduced": "MgMnSiO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-43202",
"created_at": "2022-09-04T14:37:09.369137Z",
"updated_at": "2022-09-04T14:37:09.369157Z",
"structure_string": "Li3 Mn1 P2 H1 O8\n1.0\n5.033736 0.081895 0.022702\n-2.045691 4.633044 -0.021189\n0.002356 -0.058423 6.191428\nLi Mn P H O\n3 1 2 1 8\ndirect\n0.619723 0.223749 0.755876 Li\n0.000001 0.000000 0.500000 Li\n0.380278 0.776250 0.244124 Li\n0.000000 0.000000 0.000000 Mn\n0.638823 0.361965 0.248278 P\n0.361178 0.638034 0.751722 P\n0.000000 0.500000 0.500000 H\n0.754498 0.253429 0.050944 O\n0.781210 0.295781 0.458227 O\n0.309365 0.193651 0.265933 O\n0.275647 0.309024 0.757979 O\n0.724355 0.690975 0.242021 O\n0.690636 0.806347 0.734067 O\n0.218791 0.704218 0.541773 O\n0.245503 0.746570 0.949056 O\n",
"nsites": 15,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P",
"density": 3.0454124408631746,
"density_atomic": 0.10314452897231684,
"volume": 145.42700567303845,
"volume_molar": 5.838545989789041,
"formula_full": "Li3 Mn1 P2 H1 O8",
"formula_reduced": "Li3MnP2HO8",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 2.6798170827586207,
"spacegroup": 2
},
{
"id": "jvasp-45335",
"created_at": "2022-09-04T14:37:09.387527Z",
"updated_at": "2022-09-04T14:37:09.387547Z",
"structure_string": "K8 U2 O10\n1.0\n6.447357 -0.014223 -0.018436\n-1.375172 6.335028 0.001489\n-3.139678 -2.681313 8.820931\nK U O\n8 2 10\ndirect\n0.576256 0.790113 0.096529 K\n0.198258 0.581358 0.696851 K\n0.597504 0.294496 0.597093 K\n0.402496 0.705505 0.402906 K\n0.423744 0.209888 0.903470 K\n-0.000000 0.000000 0.500000 K\n0.000000 0.500000 0.000000 K\n0.801742 0.418643 0.303148 K\n0.808048 0.898153 0.803309 U\n0.191953 0.101848 0.196690 U\n0.491534 0.936701 0.692057 O\n0.359309 0.378135 0.158323 O\n0.640692 0.621865 0.841676 O\n0.179448 0.298339 0.390442 O\n0.820552 0.701662 0.609558 O\n0.971135 0.174585 0.763141 O\n0.028865 0.825416 0.236859 O\n0.852690 0.104657 0.035081 O\n0.147310 0.895344 0.964918 O\n0.508466 0.063300 0.307942 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"U",
"O"
],
"chemical_system": "K-O-U",
"density": 4.380240680882701,
"density_atomic": 0.05560152488813043,
"volume": 359.70236500239423,
"volume_molar": 10.83089136874658,
"formula_full": "K8 U2 O10",
"formula_reduced": "K4UO5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 1.46304855,
"spacegroup": 2
},
{
"id": "jvasp-52123",
"created_at": "2022-09-04T14:37:09.503639Z",
"updated_at": "2022-09-04T14:37:09.503661Z",
"structure_string": "Ni5 P4 O16\n1.0\n5.001789 0.020065 -0.027419\n-1.439046 7.643257 0.024772\n-0.113171 -3.062508 7.437238\nNi P O\n5 4 16\ndirect\n0.894761 0.761906 0.234287 Ni\n0.347400 0.595150 0.322220 Ni\n0.652600 0.404851 0.677779 Ni\n0.000000 0.000000 -0.000000 Ni\n0.105239 0.238095 0.765713 Ni\n0.152462 0.209558 0.427142 P\n0.619944 0.297396 0.030962 P\n0.380056 0.702605 0.969038 P\n0.847538 0.790443 0.572858 P\n0.740852 0.624335 0.622599 O\n0.917464 0.974870 0.742028 O\n0.347997 0.501988 0.816901 O\n0.747504 0.169059 0.097675 O\n0.252496 0.830942 0.902324 O\n0.358588 0.179377 0.561960 O\n0.773062 0.327148 0.872917 O\n0.088015 0.758900 0.449689 O\n0.306991 0.220761 0.971020 O\n0.693008 0.779240 0.028980 O\n0.652002 0.498012 0.183099 O\n0.641412 0.820624 0.438040 O\n0.226938 0.672852 0.127083 O\n0.259148 0.375666 0.377401 O\n0.082536 0.025130 0.257972 O\n0.911985 0.241101 0.550311 O\n",
"nsites": 25,
"nelements": 3,
"elements": [
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"P",
"O"
],
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"density": 3.9263575044184735,
"density_atomic": 0.08778863745165148,
"volume": 284.7748948577593,
"volume_molar": 6.859818006990507,
"formula_full": "Ni5 P4 O16",
"formula_reduced": "Ni5(PO4)4",
"formula_anonymous": "A4B5C16",
"energy_above_hull": 2.7813,
"spacegroup": 2
},
{
"id": "jvasp-9501",
"created_at": "2022-09-04T14:37:09.545926Z",
"updated_at": "2022-09-04T14:37:09.545942Z",
"structure_string": "Zn2 Cr2 Si2 O10\n1.0\n5.163559 -0.063407 -0.041709\n-1.225568 5.275725 -0.007075\n-1.835678 -2.374026 6.310064\nZn Cr Si O\n2 2 2 10\ndirect\n0.306311 0.174367 0.794119 Zn\n0.702183 0.815493 0.234959 Zn\n0.004252 0.494918 0.514559 Cr\n0.004248 0.494925 0.014562 Cr\n0.690238 0.831573 0.752487 Si\n0.318267 0.158276 0.276623 Si\n0.742140 0.689270 0.933102 O\n0.947965 0.842619 0.652534 O\n0.266349 0.300582 0.096010 O\n0.060551 0.147213 0.376591 O\n0.629111 0.304879 0.466906 O\n0.323092 0.846224 0.165067 O\n0.379402 0.684940 0.562202 O\n0.685390 0.143623 0.864030 O\n0.896677 0.543878 0.254174 O\n0.111804 0.445963 0.774944 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-O-Si-Zn",
"density": 4.384629399906571,
"density_atomic": 0.09368091348986521,
"volume": 170.79252756999372,
"volume_molar": 6.428354011141769,
"formula_full": "Zn2 Cr2 Si2 O10",
"formula_reduced": "ZnCrSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.4024892375,
"spacegroup": 2
},
{
"id": "jvasp-104146",
"created_at": "2022-09-04T14:37:09.729718Z",
"updated_at": "2022-09-04T14:37:09.729736Z",
"structure_string": "H12 C14\n1.0\n3.798644 0.005315 0.632746\n0.161166 5.251467 1.217908\n0.084045 -0.024208 10.968496\nH C\n12 14\ndirect\n-0.000200 0.437998 0.246114 H\n0.759889 0.389205 0.469898 H\n0.326672 0.294471 0.872241 H\n0.060426 0.597571 0.724086 H\n0.249467 0.638919 0.544565 H\n0.820491 0.548771 0.947869 H\n0.493113 0.692118 0.321714 H\n0.525765 0.709504 0.120382 H\n0.116130 0.832343 0.079837 H\n0.703962 0.154337 0.114140 H\n0.570206 0.347635 0.649376 H\n0.294354 0.277190 0.073579 H\n0.554093 0.916821 0.928760 C\n0.627470 0.169370 0.713005 C\n0.056756 0.261386 0.311769 C\n0.423349 0.108558 0.126460 C\n0.983638 0.009507 0.528618 C\n0.836353 0.977157 0.665348 C\n0.396742 0.878131 0.067508 C\n0.763413 0.725340 0.882205 C\n0.192383 0.817249 0.480951 C\n0.900018 0.753658 0.754071 C\n0.330556 0.846666 0.352970 C\n0.920137 0.233061 0.439904 C\n0.265966 0.069866 0.265207 C\n0.489347 0.139970 0.840989 C\n",
"nsites": 26,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.3690232540489242,
"density_atomic": 0.11892458829032626,
"volume": 218.6259408065147,
"volume_molar": 5.063831497400997,
"formula_full": "H12 C14",
"formula_reduced": "H6C7",
"formula_anonymous": "A6B7",
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"spacegroup": 2
},
{
"id": "jvasp-5311",
"created_at": "2022-09-04T14:37:10.096590Z",
"updated_at": "2022-09-04T14:37:10.096610Z",
"structure_string": "Hg2 P2 S6\n1.0\n6.348621 -0.007945 0.072711\n-3.085686 5.497432 -0.058377\n-2.092786 -1.989243 6.581709\nHg P S\n2 2 6\ndirect\n0.115163 0.743706 0.333294 Hg\n0.884835 0.256293 0.666706 Hg\n0.546327 0.563992 0.670387 P\n0.453671 0.436007 0.329612 P\n0.505769 0.140890 0.280743 S\n0.494229 0.859109 0.719256 S\n0.076335 0.326181 0.185709 S\n0.923663 0.673818 0.814290 S\n0.293513 0.253689 0.738421 S\n0.706484 0.746310 0.261578 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Hg",
"P",
"S"
],
"chemical_system": "Hg-P-S",
"density": 4.730765462016254,
"density_atomic": 0.04346082977432899,
"volume": 230.09224747721453,
"volume_molar": 13.85647902092541,
"formula_full": "Hg2 P2 S6",
"formula_reduced": "HgPS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4541260200000004,
"spacegroup": 2
},
{
"id": "jvasp-52621",
"created_at": "2022-09-04T14:37:10.334629Z",
"updated_at": "2022-09-04T14:37:10.334660Z",
"structure_string": "K5 As4\n1.0\n6.123313 -0.624080 0.058240\n-0.130482 6.279799 -1.098559\n0.168704 1.694668 7.339454\nK As\n5 4\ndirect\n0.747745 0.195870 0.965350 K\n0.787731 0.538735 0.332420 K\n0.497371 0.001296 0.496748 K\n0.206985 0.463804 0.661016 K\n0.247020 0.806658 0.028127 K\n0.011020 -0.040218 0.662060 As\n0.267755 0.320585 0.213948 As\n0.726967 0.681936 0.779518 As\n-0.016298 0.042738 0.331412 As\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "As-K",
"density": 2.805700263523764,
"density_atomic": 0.030709548489206377,
"volume": 293.06845729637706,
"volume_molar": 19.60999446838702,
"formula_full": "K5 As4",
"formula_reduced": "K5As4",
"formula_anonymous": "A4B5",
"energy_above_hull": 0.7225948981481484,
"spacegroup": 2
},
{
"id": "jvasp-101946",
"created_at": "2022-09-04T14:37:10.373393Z",
"updated_at": "2022-09-04T14:37:10.373422Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.891579 0.119261 0.240857\n0.799765 4.082863 0.788404\n-0.016578 0.075993 7.675643\nCd H C O\n1 4 4 4\ndirect\n0.211297 0.264777 0.278878 Cd\n0.382060 0.956673 0.673763 H\n0.510434 0.516374 0.737259 H\n0.912288 0.013219 0.820516 H\n0.040656 0.572921 0.884006 H\n0.828660 0.725098 0.533661 C\n0.605503 0.745387 0.701407 C\n0.817214 0.784206 0.856359 C\n0.594005 0.804477 0.024097 C\n0.768849 0.969059 0.401810 O\n0.069704 0.466988 0.530765 O\n0.352961 0.062581 0.026987 O\n0.653765 0.560491 0.155933 O\n",
"nsites": 13,
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"elements": [
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"C",
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],
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"density": 3.135042663817208,
"density_atomic": 0.10741959574450954,
"volume": 121.02074961182731,
"volume_molar": 5.606184531101073,
"formula_full": "Cd1 H4 C4 O4",
"formula_reduced": "CdH4(CO)4",
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"energy_above_hull": 3.929332596153847,
"spacegroup": 2
},
{
"id": "jvasp-79737",
"created_at": "2022-09-04T14:37:10.399483Z",
"updated_at": "2022-09-04T14:37:10.399499Z",
"structure_string": "Y2 Ag1 Hg1\n1.0\n-14.152834 7.229491 5.799551\n-11.505824 4.356836 6.941553\n-9.243231 7.985575 3.754667\nY Ag Hg\n2 1 1\ndirect\n0.444104 0.202717 0.103670 Y\n0.555894 0.797284 0.896332 Y\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.039157839751490585,
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"formula_full": "Y2 Ag1 Hg1",
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"formula_anonymous": "ABC2",
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"spacegroup": 2
},
{
"id": "jvasp-42699",
"created_at": "2022-09-04T14:37:10.519945Z",
"updated_at": "2022-09-04T14:37:10.519971Z",
"structure_string": "Li2 V2 P4 O14\n1.0\n5.767814 -0.033580 0.012255\n0.776278 7.008988 0.015021\n2.821168 1.425049 6.378844\nLi V P O\n2 2 4 14\ndirect\n0.909813 0.349196 0.175245 Li\n0.090187 0.650804 0.824754 Li\n0.708310 0.193478 0.892368 V\n0.291690 0.806523 0.107632 V\n0.226377 0.189212 0.763325 P\n0.339010 0.352545 0.313007 P\n0.660990 0.647455 0.686993 P\n0.773623 0.810788 0.236675 P\n0.598841 0.741255 0.477707 O\n0.889531 0.737039 0.673903 O\n0.925673 0.643887 0.140051 O\n0.408334 0.691694 0.859830 O\n0.326930 0.574709 0.302242 O\n0.673070 0.425291 0.697758 O\n0.401159 0.258745 0.522293 O\n0.074327 0.356113 0.859949 O\n0.110469 0.262962 0.326097 O\n0.590375 0.916260 0.132542 O\n0.409625 0.083740 0.867458 O\n0.973469 0.953480 0.215310 O\n0.591666 0.308307 0.140170 O\n0.026531 0.046521 0.784690 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.9877760304858856,
"density_atomic": 0.08537482262232261,
"volume": 257.6872118062562,
"volume_molar": 7.053766643405495,
"formula_full": "Li2 V2 P4 O14",
"formula_reduced": "LiVP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.856887245454545,
"spacegroup": 2
},
{
"id": "jvasp-10485",
"created_at": "2022-09-04T14:37:10.612164Z",
"updated_at": "2022-09-04T14:37:10.612183Z",
"structure_string": "Rb4 Sn2 Se6\n1.0\n7.129781 -0.049723 -0.046821\n3.130909 7.198435 0.055557\n2.744018 1.388785 8.406781\nRb Sn Se\n4 2 6\ndirect\n0.640348 0.467196 0.686653 Rb\n0.359652 0.532804 0.313348 Rb\n0.905159 0.797762 0.877980 Rb\n0.094841 0.202238 0.122020 Rb\n0.643753 0.937392 0.308522 Sn\n0.356246 0.062609 0.691478 Sn\n0.268233 0.946672 0.475723 Se\n0.731766 0.053328 0.524278 Se\n0.374573 0.808818 0.932411 Se\n0.625427 0.191182 0.067589 Se\n0.149438 0.398130 0.717553 Se\n0.850562 0.601870 0.282448 Se\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Rb-Se-Sn",
"density": 4.039011789857415,
"density_atomic": 0.02771773779458387,
"volume": 432.9357644167063,
"volume_molar": 21.726667611296705,
"formula_full": "Rb4 Sn2 Se6",
"formula_reduced": "Rb2SnSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.3450403,
"spacegroup": 2
}
]
}