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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4599",
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"results": [
{
"id": "jvasp-46667",
"created_at": "2022-09-04T14:37:59.718483Z",
"updated_at": "2022-09-04T14:37:59.718508Z",
"structure_string": "Li2 V1 Cr1 P4 O14\n1.0\n4.826810 0.029495 0.003304\n2.275951 6.613794 -0.011402\n0.036712 0.019738 8.070269\nLi V Cr P O\n2 1 1 4 14\ndirect\n0.821224 0.671860 0.862486 Li\n0.172418 0.327538 0.362305 Li\n0.781636 0.730737 0.499855 V\n0.215899 0.272168 -0.000043 Cr\n0.595068 0.521183 0.177914 P\n0.799682 0.082946 0.787911 P\n0.206923 0.918219 0.280944 P\n0.403107 0.475429 0.679850 P\n0.186866 0.517103 0.535720 O\n0.247424 0.487555 0.847581 O\n0.387407 0.397179 0.180379 O\n0.610314 0.090281 0.942217 O\n0.607887 0.244760 0.651706 O\n0.402088 0.755856 0.147326 O\n0.810148 0.476511 0.031987 O\n0.600427 0.607395 0.680271 O\n0.748527 0.508837 0.344968 O\n0.125776 0.121552 0.191636 O\n0.872529 0.879331 0.699762 O\n0.940610 0.856303 0.321847 O\n0.390832 0.919904 0.434940 O\n0.073199 0.137354 0.824015 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
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"V",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P-V",
"density": 3.0015267759574273,
"density_atomic": 0.0855731056173287,
"volume": 257.09012009428534,
"volume_molar": 7.037422232786777,
"formula_full": "Li2 V1 Cr1 P4 O14",
"formula_reduced": "Li2VCr(P2O7)2",
"formula_anonymous": "ABC2D4E14",
"energy_above_hull": 3.137925118181818,
"spacegroup": 1
},
{
"id": "jvasp-46743",
"created_at": "2022-09-04T14:38:00.738393Z",
"updated_at": "2022-09-04T14:38:00.738407Z",
"structure_string": "Li3 Mn1 Si2 O7\n1.0\n4.620770 -0.002577 0.006402\n-2.296266 4.695438 -0.028869\n-0.089609 -1.266567 6.618418\nLi Mn Si O\n3 1 2 7\ndirect\n0.708347 0.416020 0.151304 Li\n0.845918 0.714112 0.550149 Li\n0.283938 0.570148 0.832348 Li\n-0.006751 -0.005534 0.006633 Mn\n0.585492 0.163311 0.713549 Si\n0.436123 0.835610 0.289579 Si\n0.755212 0.083776 0.204234 O\n0.891002 0.457162 0.692228 O\n0.367923 0.235274 0.889798 O\n0.689010 0.921657 0.785574 O\n0.515060 0.579366 0.329453 O\n0.338730 0.986279 0.501922 O\n0.130914 0.742708 0.115170 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.8244324396488,
"density_atomic": 0.09064921900129627,
"volume": 143.40995039145457,
"volume_molar": 6.6433454433996655,
"formula_full": "Li3 Mn1 Si2 O7",
"formula_reduced": "Li3MnSi2O7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 2.595392995490716,
"spacegroup": 1
},
{
"id": "jvasp-48066",
"created_at": "2022-09-04T14:38:01.672980Z",
"updated_at": "2022-09-04T14:38:01.673007Z",
"structure_string": "Mn6 O8 F4\n1.0\n4.588954 0.011399 -0.007690\n0.189737 5.451014 0.060524\n0.225130 0.560639 7.449975\nMn O F\n6 8 4\ndirect\n0.505260 0.496805 0.985988 Mn\n0.491736 0.829318 0.670409 Mn\n0.531697 0.169217 0.344221 Mn\n0.009777 0.331539 0.670180 Mn\n0.955754 0.663983 0.324728 Mn\n0.003820 0.005435 0.004234 Mn\n0.187219 0.288527 0.898143 O\n0.300223 0.789671 0.898243 O\n0.314626 0.131377 0.567656 O\n0.700177 0.869103 0.439501 O\n0.692903 0.208859 0.102805 O\n0.802840 0.709332 0.104055 O\n0.812986 0.373857 0.434701 O\n0.691000 0.531505 0.764472 O\n0.196669 0.642365 0.549209 F\n0.795812 0.021551 0.765300 F\n0.300603 0.471870 0.230254 F\n0.206900 0.965682 0.245901 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
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],
"chemical_system": "F-Mn-O",
"density": 4.758972037911586,
"density_atomic": 0.09667336514137725,
"volume": 186.19399431970123,
"volume_molar": 6.229369124777119,
"formula_full": "Mn6 O8 F4",
"formula_reduced": "Mn3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.678479587681992,
"spacegroup": 1
},
{
"id": "jvasp-46920",
"created_at": "2022-09-04T14:38:01.807857Z",
"updated_at": "2022-09-04T14:38:01.807871Z",
"structure_string": "Li4 V2 O6 F2\n1.0\n5.010989 -0.026979 -0.009070\n-1.937450 4.788662 -0.049315\n-0.139462 -0.226766 5.710526\nLi V O F\n4 2 6 2\ndirect\n0.821223 0.474227 0.874602 Li\n0.763154 0.488040 0.377157 Li\n0.276981 0.526532 0.600047 Li\n0.233919 0.010761 0.376736 Li\n0.696460 0.925958 0.134819 V\n0.271384 0.071410 0.871935 V\n0.967405 0.783566 0.111770 O\n0.517805 0.220123 0.119133 O\n0.471364 0.254310 0.649855 O\n0.507846 0.754946 0.357600 O\n0.465658 0.783227 0.890147 O\n0.018742 0.217950 0.891826 O\n0.978230 0.240196 0.364760 F\n0.025108 0.744107 0.632840 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.203351378723305,
"density_atomic": 0.10244054367539643,
"volume": 136.66463977740912,
"volume_molar": 5.87866926895895,
"formula_full": "Li4 V2 O6 F2",
"formula_reduced": "Li2VO3F",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.7174278546428574,
"spacegroup": 1
},
{
"id": "jvasp-47370",
"created_at": "2022-09-04T14:38:02.005089Z",
"updated_at": "2022-09-04T14:38:02.005116Z",
"structure_string": "Li8 Mn1 O5 F1\n1.0\n5.261840 0.009645 -0.006318\n-2.137986 4.819287 0.009325\n-2.484537 -1.189485 5.063509\nLi Mn O F\n8 1 5 1\ndirect\n0.243442 0.470970 0.359016 Li\n0.122575 0.229395 0.653989 Li\n0.406001 0.886085 0.643481 Li\n0.710059 0.359517 0.008161 Li\n0.318639 0.674875 0.975808 Li\n0.578462 0.097769 0.347622 Li\n0.901859 0.795154 0.369414 Li\n0.757486 0.520037 0.653313 Li\n0.955631 0.966269 0.977690 Mn\n0.491964 0.577607 0.759280 O\n0.870227 0.108804 0.236722 O\n0.167683 0.777052 0.232434 O\n0.813148 0.204505 0.752879 O\n0.114778 0.885947 0.753918 O\n0.548041 0.446022 0.276277 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.707332876557199,
"density_atomic": 0.11675613683958179,
"volume": 128.47290434599932,
"volume_molar": 5.157879425450823,
"formula_full": "Li8 Mn1 O5 F1",
"formula_reduced": "Li8MnO5F",
"formula_anonymous": "ABC5D8",
"energy_above_hull": 1.652838334925287,
"spacegroup": 1
},
{
"id": "jvasp-46765",
"created_at": "2022-09-04T14:38:01.939550Z",
"updated_at": "2022-09-04T14:38:01.939558Z",
"structure_string": "Li4 Si2 Ni2 O8\n1.0\n5.145032 -0.005501 0.014010\n-0.311809 5.387909 -0.109227\n-0.007294 -0.149035 6.134405\nLi Si Ni O\n4 2 2 8\ndirect\n0.799584 0.828016 0.241386 Li\n0.312167 0.685130 0.487443 Li\n0.691003 0.319843 0.009995 Li\n0.200107 0.170488 0.756348 Li\n0.820586 0.824815 0.742331 Si\n0.179250 0.174911 0.255981 Si\n0.307023 0.662502 0.990666 Ni\n0.687456 0.332182 0.521320 Ni\n0.210371 0.870617 0.241753 O\n0.141311 0.806416 0.745560 O\n0.695012 0.684538 0.956187 O\n0.693079 0.700138 0.513697 O\n0.312786 0.304180 0.041418 O\n0.303450 0.309833 0.482379 O\n0.860018 0.202495 0.259314 O\n0.784000 0.126703 0.754223 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Si",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Si",
"density": 3.2175125519796244,
"density_atomic": 0.09414060490911386,
"volume": 169.9585424955244,
"volume_molar": 6.39696416420306,
"formula_full": "Li4 Si2 Ni2 O8",
"formula_reduced": "Li2SiNiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.944865625,
"spacegroup": 1
},
{
"id": "jvasp-46739",
"created_at": "2022-09-04T14:38:02.354396Z",
"updated_at": "2022-09-04T14:38:02.354418Z",
"structure_string": "Li1 Fe2 P2 O8\n1.0\n4.836389 -0.109041 -0.018528\n-1.243751 -4.998027 -0.035261\n-1.836345 0.153303 -5.600517\nLi Fe P O\n1 2 2 8\ndirect\n0.337060 0.342113 -0.019870 Li\n-0.014450 0.227129 0.355328 Fe\n0.994529 0.762019 0.647555 Fe\n0.340050 0.814857 0.230537 P\n0.654512 0.171318 0.775348 P\n0.197528 0.634952 0.405776 O\n0.304908 0.132646 0.679151 O\n0.243928 0.085474 0.205802 O\n0.251741 0.676053 -0.013094 O\n0.738450 0.309858 0.019522 O\n0.750909 0.905920 0.796644 O\n0.687501 0.867836 0.335167 O\n0.798481 0.356808 0.602780 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.7585132785703124,
"density_atomic": 0.09535674147553755,
"volume": 136.33016186207422,
"volume_molar": 6.315380188976882,
"formula_full": "Li1 Fe2 P2 O8",
"formula_reduced": "LiFe2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.9452100000000003,
"spacegroup": 1
},
{
"id": "jvasp-46965",
"created_at": "2022-09-04T14:38:02.236545Z",
"updated_at": "2022-09-04T14:38:02.236572Z",
"structure_string": "V4 O3 F9\n1.0\n5.068752 0.044476 -0.776042\n-2.357116 4.437478 1.524230\n-1.131947 -0.313722 8.751882\nV O F\n4 3 9\ndirect\n0.240760 0.738639 0.753499 V\n0.499666 0.460427 0.503908 V\n0.734390 0.262630 0.253434 V\n-0.004079 0.028998 -0.007395 V\n0.040810 0.375300 0.875119 O\n0.468884 0.133691 0.624324 O\n0.578894 0.416098 0.325604 O\n0.073034 0.329937 0.431618 F\n0.055934 0.923167 0.817705 F\n0.566697 0.824554 0.935194 F\n0.445611 0.589447 0.676155 F\n0.429876 0.167096 0.066945 F\n0.525450 0.867272 0.374253 F\n0.975934 0.625070 0.118274 F\n0.937422 0.076529 0.185730 F\n0.930708 0.681159 0.565630 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.58810955045595,
"density_atomic": 0.08178113602155376,
"volume": 195.64413969235073,
"volume_molar": 7.363728425602746,
"formula_full": "V4 O3 F9",
"formula_reduced": "V4(OF3)3",
"formula_anonymous": "A3B4C9",
"energy_above_hull": 1.64020186515625,
"spacegroup": 1
},
{
"id": "jvasp-39414",
"created_at": "2022-09-04T14:38:03.143797Z",
"updated_at": "2022-09-04T14:38:03.143828Z",
"structure_string": "O2 F6\n1.0\n3.426082 0.194562 0.048800\n0.516015 5.166784 0.528477\n0.404209 3.082253 6.612856\nO F\n2 6\ndirect\n-0.044235 0.380025 0.305513 O\n-0.002135 0.482090 0.799414 O\n0.634589 0.276957 0.136377 F\n0.716147 0.320354 0.488023 F\n0.924978 0.700158 0.182313 F\n0.332240 0.808463 0.744098 F\n0.197835 0.810582 0.490272 F\n0.240579 0.221362 0.853996 F\n",
"nsites": 8,
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"elements": [
"O",
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],
"chemical_system": "F-O",
"density": 2.187277133734632,
"density_atomic": 0.07218116985466443,
"volume": 110.83222973675636,
"volume_molar": 8.343091102742559,
"formula_full": "O2 F6",
"formula_reduced": "OF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.545786086875,
"spacegroup": 1
},
{
"id": "jvasp-46940",
"created_at": "2022-09-04T14:38:04.043909Z",
"updated_at": "2022-09-04T14:38:04.043935Z",
"structure_string": "Mn6 O7 F5\n1.0\n5.451673 -0.006117 -0.012117\n1.728850 5.223780 0.008185\n2.216549 1.444843 6.744269\nMn O F\n6 7 5\ndirect\n0.688884 0.689236 0.838920 Mn\n0.338208 0.338175 0.672548 Mn\n0.678260 0.611370 0.308789 Mn\n0.329039 0.332073 0.164221 Mn\n0.986673 0.985862 0.504309 Mn\n0.977075 0.044530 0.002084 Mn\n0.686174 0.340569 0.000756 O\n0.642817 0.031579 0.671313 O\n0.970750 0.324992 0.328944 O\n0.770984 0.793489 0.029823 O\n0.228688 0.248497 0.957997 O\n0.028936 0.643503 0.673300 O\n0.429338 0.414793 0.378838 O\n0.110025 0.108704 0.685158 F\n0.365222 0.924568 0.341092 F\n0.893298 0.854052 0.312109 F\n0.575382 0.573490 0.640486 F\n0.300247 0.740508 0.989300 F\n",
"nsites": 18,
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"elements": [
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"O",
"F"
],
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"density": 4.63659603469702,
"density_atomic": 0.09366104086588026,
"volume": 192.18236134889264,
"volume_molar": 6.429717953512305,
"formula_full": "Mn6 O7 F5",
"formula_reduced": "Mn6O7F5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.788300520043103,
"spacegroup": 1
},
{
"id": "jvasp-9195",
"created_at": "2022-09-04T14:38:03.662927Z",
"updated_at": "2022-09-04T14:38:03.662943Z",
"structure_string": "Ca4 Co4 O8\n1.0\n3.197133 0.021921 -0.010206\n-0.602414 8.002735 -0.123424\n-0.222450 -1.259895 7.947655\nCa Co O\n4 4 8\ndirect\n0.194078 0.709920 0.916742 Ca\n0.690644 0.271152 0.094592 Ca\n0.689159 0.942952 0.311448 Ca\n0.245888 0.024200 0.707525 Ca\n0.051575 0.375799 0.713270 Co\n0.642985 0.669939 0.560027 Co\n0.284411 0.271476 0.438429 Co\n0.179890 0.614519 0.270103 Co\n0.550547 0.462133 0.358509 O\n0.778010 0.171663 0.546642 O\n0.162773 0.801219 0.466455 O\n0.580806 0.519567 0.730697 O\n0.171939 0.268985 0.898088 O\n0.719210 0.863470 0.797026 O\n0.710319 0.678633 0.130975 O\n0.196461 0.108312 0.217918 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Co",
"O"
],
"chemical_system": "Ca-Co-O",
"density": 4.288130523696653,
"density_atomic": 0.07884505489791947,
"volume": 202.92965767751912,
"volume_molar": 7.637943518203968,
"formula_full": "Ca4 Co4 O8",
"formula_reduced": "CaCoO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4344720799999997,
"spacegroup": 1
},
{
"id": "jvasp-46971",
"created_at": "2022-09-04T14:38:03.775523Z",
"updated_at": "2022-09-04T14:38:03.775549Z",
"structure_string": "Mn6 O7 F5\n1.0\n4.561620 -0.006888 0.011637\n0.083946 5.515023 0.032006\n0.049813 0.417434 7.643558\nMn O F\n6 7 5\ndirect\n0.487747 0.498681 0.996852 Mn\n0.545993 0.177117 0.344782 Mn\n0.510537 0.818833 0.655405 Mn\n0.972531 0.666505 0.317747 Mn\n0.978242 0.352469 0.679568 Mn\n0.993760 0.001818 0.011162 Mn\n0.185867 0.704842 0.099659 O\n0.307950 0.537164 0.765288 O\n0.701559 0.126209 0.568137 O\n0.808528 0.290228 0.907621 O\n0.795442 0.962588 0.233188 O\n0.805673 0.629888 0.551064 O\n0.691951 0.462405 0.228005 O\n0.204758 0.371134 0.431803 F\n0.710533 0.804791 0.895244 F\n0.285765 0.875622 0.422672 F\n0.301190 0.189656 0.119278 F\n0.211975 0.030040 0.772535 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.635374157788448,
"density_atomic": 0.09363635847772082,
"volume": 192.23302029929744,
"volume_molar": 6.431412816457259,
"formula_full": "Mn6 O7 F5",
"formula_reduced": "Mn6O7F5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.789072742265325,
"spacegroup": 1
}
]
}