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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=149",
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"results": [
{
"id": "jvasp-12698",
"created_at": "2022-09-04T14:38:10.675141Z",
"updated_at": "2022-09-04T14:38:10.675162Z",
"structure_string": "Ca2 Mn1 P2 H4 O10\n1.0\n5.539257 0.002776 -0.012297\n-1.870724 5.473976 0.002277\n-1.440320 -0.503689 6.404792\nCa Mn P H O\n2 1 2 4 10\ndirect\n0.331552 0.600754 0.233166 Ca\n0.668450 0.399248 0.766834 Ca\n0.000000 0.000000 0.000000 Mn\n0.351278 0.753173 0.766556 P\n0.648723 0.246828 0.233444 P\n0.808950 0.065918 0.562961 H\n0.191052 0.934084 0.437039 H\n0.084395 0.280503 0.658056 H\n0.915607 0.719498 0.341944 H\n0.697521 0.459298 0.400523 O\n0.383940 0.998244 0.669684 O\n0.616062 0.001757 0.330316 O\n0.121010 0.692058 0.881016 O\n0.932925 0.154516 0.698770 O\n0.604104 0.754605 0.931522 O\n0.395898 0.245396 0.068478 O\n0.302480 0.540703 0.599477 O\n0.878991 0.307943 0.118984 O\n0.067077 0.845485 0.301230 O\n",
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"density_atomic": 0.09786972133811776,
"volume": 194.1356298988458,
"volume_molar": 6.153221525169021,
"formula_full": "Ca2 Mn1 P2 H4 O10",
"formula_reduced": "Ca2MnP2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
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"spacegroup": 2
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{
"id": "jvasp-44365",
"created_at": "2022-09-04T14:38:10.779988Z",
"updated_at": "2022-09-04T14:38:10.780009Z",
"structure_string": "K2 Li8 Cr2 O10\n1.0\n5.544533 -0.010260 0.007481\n-2.755481 5.067325 -0.032409\n-1.185305 -0.900496 8.055575\nK Li Cr O\n2 8 2 10\ndirect\n0.396522 0.251118 0.590719 K\n0.603476 0.748880 0.409281 K\n0.439006 0.640276 0.914509 Li\n0.330371 -0.000378 0.874628 Li\n0.899540 0.614496 0.914628 Li\n0.115637 0.669644 0.623611 Li\n0.884361 0.330354 0.376389 Li\n0.100458 0.385502 0.085372 Li\n0.669627 0.000377 0.125372 Li\n0.560993 0.359722 0.085491 Li\n0.136159 0.909523 0.220976 Cr\n0.863840 0.090475 0.779024 Cr\n0.224441 0.267050 0.913507 O\n0.748870 0.232433 0.940666 O\n0.487708 0.833939 0.726355 O\n0.942342 0.824851 0.729939 O\n0.911056 0.275297 0.617418 O\n0.088943 0.724702 0.382582 O\n0.057656 0.175147 0.270061 O\n0.512290 0.166059 0.273646 O\n0.251128 0.767565 0.059334 O\n0.775557 0.732948 0.086493 O\n",
"nsites": 22,
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"elements": [
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"O"
],
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"density": 2.9221538220099808,
"density_atomic": 0.09734401886525182,
"volume": 226.00258604951821,
"volume_molar": 6.1864517514282324,
"formula_full": "K2 Li8 Cr2 O10",
"formula_reduced": "KLi4CrO5",
"formula_anonymous": "ABC4D5",
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"spacegroup": 2
},
{
"id": "jvasp-5404",
"created_at": "2022-09-04T14:38:11.844665Z",
"updated_at": "2022-09-04T14:38:11.844681Z",
"structure_string": "V2 N2 Cl8\n1.0\n5.908637 0.172743 -0.017710\n-2.730131 6.447724 -0.044311\n-0.660690 -2.854916 7.054673\nV N Cl\n2 2 8\ndirect\n0.266744 0.498568 0.154123 V\n0.733255 0.501431 0.845877 V\n0.908257 0.652956 0.741255 N\n0.091743 0.347042 0.258745 N\n0.901943 0.195365 0.343573 Cl\n0.098057 0.804634 0.656427 Cl\n0.445178 0.234489 0.590387 Cl\n0.554821 0.765509 0.409613 Cl\n0.518583 0.711621 0.951130 Cl\n0.481417 0.288377 0.048870 Cl\n0.955200 0.274424 0.843601 Cl\n0.044800 0.725574 0.156399 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"V",
"N",
"Cl"
],
"chemical_system": "Cl-N-V",
"density": 2.5325652037814983,
"density_atomic": 0.04425841379430136,
"volume": 271.134886482197,
"volume_molar": 13.606770427853426,
"formula_full": "V2 N2 Cl8",
"formula_reduced": "VNCl4",
"formula_anonymous": "ABC4",
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"spacegroup": 2
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{
"id": "jvasp-9250",
"created_at": "2022-09-04T14:38:10.883176Z",
"updated_at": "2022-09-04T14:38:10.883198Z",
"structure_string": "Ti4 Zn4 O8\n1.0\n2.901239 -0.027463 0.014376\n0.680348 7.540904 0.014090\n1.297477 1.044626 8.314497\nTi Zn O\n4 4 8\ndirect\n0.515509 0.291782 0.587518 Ti\n0.106520 0.433950 0.252404 Ti\n0.889526 0.545965 0.775800 Ti\n0.480537 0.688136 0.440684 Ti\n0.498595 0.062671 0.296644 Zn\n0.497429 0.917247 0.731557 Zn\n0.318766 0.842122 0.067031 Zn\n0.677242 0.137793 0.961171 Zn\n0.901080 0.741660 0.597835 O\n0.410770 0.361314 0.815754 O\n0.585272 0.618603 0.212449 O\n0.094966 0.238261 0.430370 O\n-0.017074 0.102710 0.713997 O\n0.686482 0.289853 0.152040 O\n0.013111 0.877208 0.314205 O\n0.309559 0.690062 0.876166 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "O-Ti-Zn",
"density": 5.3051803476115404,
"density_atomic": 0.08796719822444955,
"volume": 181.88597935307402,
"volume_molar": 6.84589356209166,
"formula_full": "Ti4 Zn4 O8",
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"formula_anonymous": "ABC2",
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"spacegroup": 2
},
{
"id": "jvasp-46047",
"created_at": "2022-09-04T14:38:10.965304Z",
"updated_at": "2022-09-04T14:38:10.965329Z",
"structure_string": "Li8 B4 O10\n1.0\n4.883961 0.043999 -0.033915\n1.875201 6.656542 -0.106514\n2.383953 2.839550 5.845890\nLi B O\n8 4 10\ndirect\n0.976204 0.425695 0.204204 Li\n0.511292 0.686341 0.974895 Li\n0.793659 0.329342 0.663020 Li\n0.015360 0.031184 0.306696 Li\n0.984639 0.968816 0.693304 Li\n0.206341 0.670657 0.336980 Li\n0.488708 0.313659 0.025105 Li\n0.023795 0.574305 0.795795 Li\n0.883794 0.860942 0.083273 B\n0.453083 0.275153 0.467332 B\n0.116206 0.139058 0.916727 B\n0.546916 0.724847 0.532668 B\n0.212204 0.228698 0.660160 O\n0.741087 0.201547 0.483832 O\n0.787796 0.771302 0.339840 O\n0.133949 0.277029 0.006952 O\n0.625221 0.586499 0.734613 O\n0.791316 0.102608 0.962623 O\n0.208684 0.897392 0.037376 O\n0.374778 0.413500 0.265386 O\n0.866051 0.722971 0.993048 O\n0.258912 0.798453 0.516168 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "B-Li-O",
"density": 2.245073608226398,
"density_atomic": 0.1149468185076093,
"volume": 191.39285702408228,
"volume_molar": 5.239066933898083,
"formula_full": "Li8 B4 O10",
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"formula_anonymous": "A2B4C5",
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"spacegroup": 2
},
{
"id": "jvasp-44729",
"created_at": "2022-09-04T14:38:11.053174Z",
"updated_at": "2022-09-04T14:38:11.053203Z",
"structure_string": "Li6 Fe2 Si2 O10\n1.0\n4.843498 0.002352 -0.002947\n-1.596385 5.443208 0.018581\n-0.864133 -1.913433 5.985037\nLi Fe Si O\n6 2 2 10\ndirect\n0.686252 0.400091 0.392465 Li\n0.500000 -0.000000 -0.000000 Li\n0.500000 0.500000 -0.000000 Li\n0.313748 0.599910 0.607535 Li\n0.106761 0.200388 0.195170 Li\n0.893239 0.799612 0.804829 Li\n0.704615 0.901273 0.401647 Fe\n0.295386 0.098727 0.598353 Fe\n0.901833 0.306613 0.805617 Si\n0.098167 0.693387 0.194383 Si\n0.994617 0.248210 0.530181 O\n0.829746 0.840038 0.124673 O\n0.834691 0.369614 0.085626 O\n0.617029 0.984850 0.703347 O\n0.616664 0.420612 0.701755 O\n0.382972 0.015151 0.296653 O\n0.383336 0.579389 0.298245 O\n0.170254 0.159962 0.875327 O\n0.165310 0.630386 0.914374 O\n0.005383 0.751790 0.469819 O\n",
"nsites": 20,
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"elements": [
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"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.8842868643090656,
"density_atomic": 0.12661249770459018,
"volume": 157.9622893678601,
"volume_molar": 4.756355706725525,
"formula_full": "Li6 Fe2 Si2 O10",
"formula_reduced": "Li3FeSiO5",
"formula_anonymous": "ABC3D5",
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"spacegroup": 2
},
{
"id": "jvasp-46292",
"created_at": "2022-09-04T14:38:11.876647Z",
"updated_at": "2022-09-04T14:38:11.876677Z",
"structure_string": "Li2 Mn2 B2 O6\n1.0\n5.161043 -0.003019 -0.028621\n-2.539287 4.535444 0.015874\n-2.391102 -1.364656 5.267420\nLi Mn B O\n2 2 2 6\ndirect\n0.445351 0.376928 0.680356 Li\n0.554647 0.623070 0.319644 Li\n0.160716 0.747990 0.763994 Mn\n0.839282 0.252008 0.236006 Mn\n0.813763 0.075102 0.739883 B\n0.186235 0.924896 0.260116 B\n0.047997 0.311501 0.686783 O\n0.620447 0.127054 0.821647 O\n0.759997 0.787578 0.702415 O\n0.240001 0.212420 0.297584 O\n0.379551 0.872944 0.178353 O\n0.952001 0.688497 0.313216 O\n",
"nsites": 12,
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"elements": [
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],
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"density": 3.2597261488576432,
"density_atomic": 0.09759291659725769,
"volume": 122.95974357976299,
"volume_molar": 6.170674030423658,
"formula_full": "Li2 Mn2 B2 O6",
"formula_reduced": "LiMnBO3",
"formula_anonymous": "ABCD3",
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"spacegroup": 2
},
{
"id": "jvasp-43064",
"created_at": "2022-09-04T14:38:11.151887Z",
"updated_at": "2022-09-04T14:38:11.151904Z",
"structure_string": "Li4 Mn3 F10\n1.0\n5.095937 -0.021782 0.012576\n1.094229 5.325395 0.024151\n2.061074 2.098613 7.008273\nLi Mn F\n4 3 10\ndirect\n0.982861 0.702300 0.347850 Li\n0.501046 0.641477 0.205526 Li\n0.498954 0.358524 0.794474 Li\n0.017138 0.297700 0.652150 Li\n0.176349 0.240508 0.144169 Mn\n0.500000 -0.000000 0.500000 Mn\n0.823651 0.759493 0.855831 Mn\n0.708998 0.150491 0.636026 F\n0.751833 0.635560 0.610069 F\n0.248167 0.364441 0.389931 F\n0.291002 0.849510 0.363974 F\n0.500000 0.500001 0.000000 F\n0.500000 0.000000 0.000000 F\n0.176108 0.946303 0.739307 F\n0.889327 0.593907 0.159100 F\n0.823891 0.053697 0.260693 F\n0.110672 0.406093 0.840900 F\n",
"nsites": 17,
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],
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"density": 3.3436788032178577,
"density_atomic": 0.0894792545115427,
"volume": 189.9881720383245,
"volume_molar": 6.730208910293448,
"formula_full": "Li4 Mn3 F10",
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},
{
"id": "jvasp-9253",
"created_at": "2022-09-04T14:38:11.237599Z",
"updated_at": "2022-09-04T14:38:11.237608Z",
"structure_string": "Ca4 Sn4 O8\n1.0\n3.492449 0.142677 -0.017402\n1.992593 8.892109 -0.190080\n0.846414 0.241359 10.191800\nCa Sn O\n4 4 8\ndirect\n0.357026 0.854660 0.934837 Ca\n0.647023 0.117133 0.085250 Ca\n0.960347 0.792907 0.271870 Ca\n0.043606 0.178890 0.748223 Ca\n0.284576 0.514464 0.847949 Sn\n0.699801 0.806760 0.613164 Sn\n0.304122 0.165051 0.406918 Sn\n0.719345 0.457340 0.172125 Sn\n0.276214 0.321947 0.251786 O\n0.447280 0.334710 0.727657 O\n0.556675 0.637084 0.292426 O\n0.727710 0.649847 0.768282 O\n0.178045 0.113243 0.951704 O\n0.106870 0.915456 0.707072 O\n0.826003 0.858552 0.068383 O\n0.897062 0.056342 0.313021 O\n",
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"volume": 313.8711416959209,
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"formula_full": "Ca4 Sn4 O8",
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"formula_anonymous": "ABC2",
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"spacegroup": 2
},
{
"id": "jvasp-44784",
"created_at": "2022-09-04T14:38:11.535777Z",
"updated_at": "2022-09-04T14:38:11.535803Z",
"structure_string": "Li2 Mn2 F8\n1.0\n5.982224 -1.285103 -0.693188\n-3.604079 7.058308 0.879449\n-1.770454 -2.408217 3.761191\nLi Mn F\n2 2 8\ndirect\n0.749589 0.500004 0.250294 Li\n0.249582 0.500003 0.750525 Li\n0.499581 0.000003 0.000434 Mn\n-0.000398 -0.000000 0.500394 Mn\n0.184672 0.887855 0.449520 F\n0.314435 0.112094 0.051231 F\n0.586209 0.652744 0.296478 F\n0.412993 0.347249 0.704313 F\n0.086214 0.652742 -0.203461 F\n0.912940 0.347264 0.204307 F\n0.814544 0.112149 0.551329 F\n0.684694 0.887894 -0.050419 F\n",
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"density_atomic": 0.084874351843693,
"volume": 141.38546851114148,
"volume_molar": 7.095359939938681,
"formula_full": "Li2 Mn2 F8",
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},
{
"id": "jvasp-9331",
"created_at": "2022-09-04T14:38:11.433261Z",
"updated_at": "2022-09-04T14:38:11.433292Z",
"structure_string": "Y1 Re1 W2 O8\n1.0\n-5.043371 0.046708 -0.041694\n-0.306702 -5.820685 -0.020259\n2.173297 2.235459 5.311744\nY Re W O\n1 1 2 8\ndirect\n0.525188 0.276414 0.900615 Y\n0.024427 0.776065 0.900033 Re\n0.280719 0.603352 0.418521 W\n0.768746 0.950885 0.382307 W\n0.324289 0.316474 0.181190 O\n0.259033 0.540101 0.694889 O\n0.367986 0.791452 0.203874 O\n0.173753 0.969504 0.579951 O\n0.788984 0.012264 0.104455 O\n0.728064 0.237423 0.621068 O\n0.681690 0.762886 0.596454 O\n0.877016 0.584686 0.220546 O\n",
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],
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"volume": 155.27767266019004,
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"formula_full": "Y1 Re1 W2 O8",
"formula_reduced": "YRe(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 4.393930954166667,
"spacegroup": 2
},
{
"id": "jvasp-12694",
"created_at": "2022-09-04T14:38:11.546768Z",
"updated_at": "2022-09-04T14:38:11.546784Z",
"structure_string": "V2 Fe2 H4 O10\n1.0\n5.254026 -0.009432 -0.002749\n-1.604918 5.364483 -0.039290\n-0.562001 -1.496149 6.213884\nV Fe H O\n2 2 4 10\ndirect\n0.256105 0.618542 0.757081 V\n0.743895 0.381458 0.242918 V\n0.627726 0.206121 0.692112 Fe\n0.372274 0.793878 0.307888 Fe\n0.078197 0.116071 0.701500 H\n0.921804 0.883929 0.298499 H\n0.850941 0.851077 0.705181 H\n0.149059 0.148923 0.294818 H\n0.907005 0.519565 0.730478 O\n0.092996 0.480435 0.269521 O\n0.903018 0.041124 0.749227 O\n0.365831 0.871869 0.613286 O\n0.642060 0.644410 0.347581 O\n0.398766 0.740198 0.018586 O\n0.601234 0.259802 0.981413 O\n0.096982 0.958876 0.250772 O\n0.357941 0.355590 0.652418 O\n0.634170 0.128131 0.386713 O\n",
"nsites": 18,
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"elements": [
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],
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"density_atomic": 0.10302130775762211,
"volume": 174.72113674142577,
"volume_molar": 5.84552932891152,
"formula_full": "V2 Fe2 H4 O10",
"formula_reduced": "VFeH2O5",
"formula_anonymous": "ABC2D5",
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"spacegroup": 2
}
]
}