HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=17",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=15",
"results": [
{
"id": "jvasp-28996",
"created_at": "2022-09-04T14:37:44.845566Z",
"updated_at": "2022-09-04T14:37:44.845592Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.405160 -0.000001 -0.000001\n-1.702580 2.948960 -0.000005\n-0.000016 -0.000089 36.586390\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.666632 0.333257 0.042747 Te\n0.666645 0.333293 0.419420 Te\n0.666672 0.333348 0.145258 Te\n0.666669 0.333334 0.522655 Te\n0.333319 0.666637 0.093968 Mo\n0.666667 0.333334 0.282097 Mo\n0.333324 0.666649 0.471014 W\n0.666691 0.333383 0.655812 W\n0.333347 0.666688 0.327184 Se\n0.333320 0.666645 0.237023 Se\n0.333319 0.666642 0.697001 S\n0.333394 0.666790 0.614570 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.839680433240021,
"density_atomic": 0.03266294617646205,
"volume": 367.3887816233668,
"volume_molar": 18.43722463817347,
"formula_full": "Te4 Mo2 W2 Se2 S2",
"formula_reduced": "Te2MoWSeS",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.4625124666666665,
"spacegroup": 156
},
{
"id": "jvasp-85708",
"created_at": "2022-09-04T14:35:57.460112Z",
"updated_at": "2022-09-04T14:35:57.460129Z",
"structure_string": "K2 Co1 H4 Se2 O10\n1.0\n6.261451 0.017278 -1.757193\n-3.018478 6.748693 -0.859881\n0.061568 -0.002146 5.590242\nK Co H Se O\n2 1 4 2 10\ndirect\n0.678845 0.261918 0.272684 K\n0.321155 0.738081 0.727316 K\n0.000000 0.000000 0.000000 Co\n0.845840 0.607985 0.851348 H\n0.154160 0.392015 0.148652 H\n0.991526 0.689086 0.140624 H\n0.008473 0.310913 0.859376 H\n0.697404 0.774652 0.366992 Se\n0.302596 0.225348 0.633008 Se\n0.577648 0.388518 0.732082 O\n0.422352 0.611482 0.267918 O\n0.116359 0.335239 0.600187 O\n0.883640 0.664760 0.399813 O\n0.729053 0.913590 0.147347 O\n0.746183 0.927102 0.644911 O\n0.270946 0.086409 0.852653 O\n-0.004714 0.711613 0.969130 O\n0.253816 0.072897 0.355089 O\n0.004713 0.288386 0.030869 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"K",
"Co",
"H",
"Se",
"O"
],
"chemical_system": "Co-H-K-O-Se",
"density": 3.213493256527331,
"density_atomic": 0.08009358412632427,
"volume": 237.2224967487164,
"volume_molar": 7.518880351891645,
"formula_full": "K2 Co1 H4 Se2 O10",
"formula_reduced": "K2CoH4(SeO5)2",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 2.503645717543859,
"spacegroup": 2
},
{
"id": "jvasp-97841",
"created_at": "2022-09-04T14:35:57.407386Z",
"updated_at": "2022-09-04T14:35:57.407414Z",
"structure_string": "Sr4 Cr2 Cu2 S2 O6\n1.0\n3.903644 0.000000 -0.000000\n-0.000000 3.903644 0.000000\n0.000000 -0.000000 15.496598\nSr Cr Cu S O\n4 2 2 2 6\ndirect\n0.749999 0.749999 0.184412 Sr\n0.250000 0.250000 0.815588 Sr\n0.749999 0.749999 0.411719 Sr\n0.250000 0.250000 0.588281 Sr\n0.250000 0.250000 0.307901 Cr\n0.749999 0.749999 0.692099 Cr\n0.250000 0.749999 0.000000 Cu\n0.749999 0.250000 0.000000 Cu\n0.749999 0.749999 0.907049 S\n0.250000 0.250000 0.092952 S\n0.749999 0.749999 0.570302 O\n0.250000 0.250000 0.429698 O\n0.250000 0.749999 0.711302 O\n0.250000 0.749999 0.288699 O\n0.749999 0.250000 0.288699 O\n0.749999 0.250000 0.711302 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Sr",
"Cr",
"Cu",
"S",
"O"
],
"chemical_system": "Cr-Cu-O-S-Sr",
"density": 5.215489750549483,
"density_atomic": 0.06775528970382065,
"volume": 236.14392425950732,
"volume_molar": 8.888074696934574,
"formula_full": "Sr4 Cr2 Cu2 S2 O6",
"formula_reduced": "Sr2CrCuSO3",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 1.5233488712500003,
"spacegroup": 129
},
{
"id": "jvasp-85955",
"created_at": "2022-09-04T14:36:07.218237Z",
"updated_at": "2022-09-04T14:36:07.218254Z",
"structure_string": "Hg2 C2 S2 O6 F6\n1.0\n5.063436 -0.023830 -0.648383\n-0.398868 5.220199 -0.398288\n-0.083572 0.333487 9.881507\nHg C S O F\n2 2 2 6 6\ndirect\n0.168195 0.133207 0.587181 Hg\n0.831805 0.866794 0.412820 Hg\n0.335397 0.238912 0.126831 C\n0.664604 0.761088 0.873169 C\n0.355123 0.434359 0.290239 S\n0.644877 0.565642 0.709761 S\n0.082863 0.476359 0.304729 O\n0.917137 0.523642 0.695271 O\n0.507774 0.719654 0.607604 O\n0.515222 0.669029 0.262339 O\n0.484779 0.330971 0.737661 O\n0.492227 0.280347 0.392397 O\n0.169301 0.028930 0.132711 F\n0.579382 0.167386 0.112291 F\n0.243357 0.370949 0.019268 F\n0.830700 -0.028929 0.867289 F\n0.756643 0.629052 0.980733 F\n0.420618 0.832615 0.887710 F\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Hg",
"C",
"S",
"O",
"F"
],
"chemical_system": "C-F-Hg-O-S",
"density": 4.439509380027439,
"density_atomic": 0.0688150678771684,
"volume": 261.57062043634306,
"volume_molar": 8.751194971934392,
"formula_full": "Hg2 C2 S2 O6 F6",
"formula_reduced": "HgCS(OF)3",
"formula_anonymous": "ABCD3E3",
"energy_above_hull": 1.5789406608333336,
"spacegroup": 2
},
{
"id": "jvasp-43565",
"created_at": "2022-09-04T14:36:05.335332Z",
"updated_at": "2022-09-04T14:36:05.335358Z",
"structure_string": "Li3 V2 P4 H2 O16\n1.0\n4.845402 -0.008293 -0.009861\n1.893135 7.216016 -0.030518\n0.058206 0.043004 7.938686\nLi V P H O\n3 2 4 2 16\ndirect\n0.385509 0.155367 0.867038 Li\n0.607273 0.842388 0.131588 Li\n0.897055 0.647118 0.627867 Li\n0.493317 0.006984 0.501545 V\n0.002657 0.496606 0.003295 V\n0.634501 0.239818 0.160108 P\n0.869265 0.265518 0.654031 P\n0.130873 0.738150 0.345670 P\n0.371217 0.763920 0.845919 P\n0.466805 0.510423 0.491001 H\n0.974319 0.012111 0.011489 H\n0.651670 0.145392 0.680398 O\n0.848548 0.358453 0.172518 O\n0.741111 0.446362 0.563700 O\n0.623754 0.651756 0.953795 O\n0.485909 0.808134 0.673077 O\n0.762403 0.052760 0.061248 O\n0.350161 0.855114 0.321781 O\n0.149797 0.647091 0.825185 O\n0.543526 0.184338 0.332202 O\n0.378949 0.338110 0.049370 O\n0.254104 0.557898 0.447336 O\n0.987348 0.307802 0.827224 O\n0.020998 0.690322 0.174435 O\n0.127168 0.142515 0.555168 O\n0.251777 0.945296 0.943079 O\n0.874423 0.845558 0.452903 O\n",
"nsites": 27,
"nelements": 5,
"elements": [
"Li",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-V",
"density": 3.017286650714753,
"density_atomic": 0.09722494024385603,
"volume": 277.70652193027416,
"volume_molar": 6.194028759385696,
"formula_full": "Li3 V2 P4 H2 O16",
"formula_reduced": "Li3V2P4(HO8)2",
"formula_anonymous": "A2B2C3D4E16",
"energy_above_hull": 3.068923940740741,
"spacegroup": 1
},
{
"id": "jvasp-90186",
"created_at": "2022-09-04T14:36:07.287408Z",
"updated_at": "2022-09-04T14:36:07.287429Z",
"structure_string": "Ba2 Co1 Cu2 S2 O2\n1.0\n3.947538 0.000000 0.000000\n0.000000 3.947538 0.000000\n-1.973769 -1.973769 10.040042\nBa Co Cu S O\n2 1 2 2 2\ndirect\n0.596358 0.596358 0.192715 Ba\n0.403642 0.403642 0.807285 Ba\n0.000000 0.000000 0.000000 Co\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.819615 0.819615 0.639230 S\n0.180385 0.180385 0.360770 S\n-0.000000 0.500000 -0.000000 O\n0.500000 -0.000000 -0.000000 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Co",
"Cu",
"S",
"O"
],
"chemical_system": "Ba-Co-Cu-O-S",
"density": 5.909713020247037,
"density_atomic": 0.05752469718810001,
"volume": 156.45453935326074,
"volume_molar": 10.468791761403285,
"formula_full": "Ba2 Co1 Cu2 S2 O2",
"formula_reduced": "Ba2CoCu2(SO)2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 1.2279456377777775,
"spacegroup": 139
},
{
"id": "jvasp-86775",
"created_at": "2022-09-04T14:36:03.544487Z",
"updated_at": "2022-09-04T14:36:03.544518Z",
"structure_string": "K1 Co1 Au3 C6 N6\n1.0\n6.717009 -0.000000 0.000000\n-3.358505 5.817100 -0.000000\n0.000000 0.000000 7.597588\nK Co Au C N\n1 1 3 6 6\ndirect\n0.333333 0.666667 0.500000 K\n0.000000 0.000000 0.500000 Co\n0.503714 0.007427 0.000000 Au\n0.992573 0.496286 0.000000 Au\n0.503714 0.496286 0.000000 Au\n0.667493 0.659927 0.782619 C\n0.992435 0.332508 0.782619 C\n0.340073 0.332508 0.217382 C\n0.340073 0.007565 0.782619 C\n0.667493 0.007565 0.217382 C\n0.992436 0.659927 0.217382 C\n0.235704 0.003408 0.657989 N\n0.996593 0.764296 0.342011 N\n0.767704 0.003408 0.342011 N\n0.235704 0.232296 0.342011 N\n0.767704 0.764296 0.657989 N\n0.996593 0.232296 0.657989 N\n",
"nsites": 17,
"nelements": 5,
"elements": [
"K",
"Co",
"Au",
"C",
"N"
],
"chemical_system": "Au-C-Co-K-N",
"density": 4.726785613341592,
"density_atomic": 0.0572651921672871,
"volume": 296.864453896154,
"volume_molar": 10.516232517665705,
"formula_full": "K1 Co1 Au3 C6 N6",
"formula_reduced": "KCoAu3(CN)6",
"formula_anonymous": "ABC3D6E6",
"energy_above_hull": 5.225642418235293,
"spacegroup": 149
},
{
"id": "jvasp-95085",
"created_at": "2022-09-04T14:36:03.075010Z",
"updated_at": "2022-09-04T14:36:03.075038Z",
"structure_string": "K8 Bi4 Mo4 P4 O32\n1.0\n6.773372 0.000000 2.048018\n1.926686 10.564166 5.852640\n-0.001508 -0.031701 12.229722\nK Bi Mo P O\n8 4 4 4 32\ndirect\n0.121981 0.764915 0.424278 K\n0.621981 0.924278 0.264914 K\n0.811173 0.575722 0.235086 K\n0.878018 0.235086 0.575722 K\n0.188826 0.424278 0.764914 K\n0.311174 0.735086 0.075722 K\n0.378018 0.075722 0.735086 K\n0.688826 0.264914 0.924278 K\n0.250000 0.827826 0.672174 Bi\n0.750000 0.672175 0.827826 Bi\n0.250000 0.327826 0.172174 Bi\n0.750000 0.172174 0.327826 Bi\n0.168801 0.081199 0.081199 Mo\n0.331199 0.418802 0.418801 Mo\n0.831199 0.918802 0.918801 Mo\n0.668801 0.581199 0.581199 Mo\n0.250000 0.071827 0.428173 P\n0.750000 0.928174 0.571826 P\n0.250000 0.571827 0.928173 P\n0.750000 0.428174 0.071827 P\n0.430357 0.138555 0.338435 O\n0.413046 0.661943 0.601939 O\n0.661604 0.418826 0.643799 O\n0.160174 0.561347 0.063209 O\n0.161604 0.143800 0.918825 O\n0.676928 0.838057 0.898060 O\n0.715269 0.063210 0.561346 O\n0.913046 0.101940 0.161943 O\n0.724230 0.081175 0.856201 O\n0.215270 0.061346 0.563210 O\n0.086954 0.898061 0.838057 O\n0.823071 0.601940 0.661943 O\n0.338396 0.581175 0.356200 O\n0.660174 0.563210 0.061346 O\n0.339826 0.436791 0.938653 O\n0.907347 0.361445 0.161565 O\n0.069643 0.161565 0.361445 O\n0.323071 0.161943 0.101939 O\n0.775769 0.643800 0.418825 O\n0.224231 0.356201 0.581174 O\n0.275770 0.918826 0.143799 O\n0.176929 0.398061 0.338057 O\n0.784730 0.938654 0.436790 O\n0.569643 0.861446 0.661565 O\n0.839825 0.438654 0.936790 O\n0.284730 0.936791 0.438653 O\n0.407347 0.661565 0.861445 O\n0.092653 0.638555 0.838435 O\n0.586954 0.338057 0.398060 O\n0.592653 0.338435 0.138555 O\n0.838396 0.856201 0.081174 O\n0.930357 0.838435 0.638555 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"K",
"Bi",
"Mo",
"P",
"O"
],
"chemical_system": "Bi-K-Mo-O-P",
"density": 4.109066003309152,
"density_atomic": 0.059342960875996185,
"volume": 876.2623103464599,
"volume_molar": 10.148028799209973,
"formula_full": "K8 Bi4 Mo4 P4 O32",
"formula_reduced": "K2BiMoPO8",
"formula_anonymous": "ABCD2E8",
"energy_above_hull": 2.4097145923076924,
"spacegroup": 73
},
{
"id": "jvasp-43994",
"created_at": "2022-09-04T14:36:02.762582Z",
"updated_at": "2022-09-04T14:36:02.762603Z",
"structure_string": "Li1 V1 P4 H4 O14\n1.0\n5.304672 0.143520 -0.015167\n2.611446 6.508044 -0.347920\n1.192485 0.346923 7.517687\nLi V P H O\n1 1 4 4 14\ndirect\n0.000000 0.000000 0.000000 Li\n0.000001 0.500000 0.000000 V\n0.332983 0.238609 0.314183 P\n0.372816 0.651168 0.226890 P\n0.627184 0.348831 0.773110 P\n0.667017 0.761390 0.685817 P\n0.055119 0.811481 0.446140 H\n0.673599 0.940778 0.338206 H\n0.326401 0.059221 0.661794 H\n0.944881 0.188518 0.553860 H\n0.823331 0.308095 0.911650 O\n0.653643 0.652083 0.156706 O\n0.579396 0.568012 0.683294 O\n0.759803 0.186173 0.619247 O\n0.382103 0.943811 0.753224 O\n0.617897 0.056188 0.246776 O\n0.216570 0.208813 0.501775 O\n0.420604 0.431987 0.316706 O\n0.346358 0.347916 0.843294 O\n0.176669 0.691904 0.088350 O\n0.783430 0.791186 0.498225 O\n0.133452 0.279855 0.179768 O\n0.240198 0.813825 0.380753 O\n0.866549 0.720144 0.820232 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-V",
"density": 2.643702641552617,
"density_atomic": 0.0932399072606187,
"volume": 257.4005134187512,
"volume_molar": 6.458758847933286,
"formula_full": "Li1 V1 P4 H4 O14",
"formula_reduced": "LiVP4(H2O7)2",
"formula_anonymous": "ABC4D4E14",
"energy_above_hull": 3.159298966666667,
"spacegroup": 2
},
{
"id": "jvasp-88329",
"created_at": "2022-09-04T14:36:03.457472Z",
"updated_at": "2022-09-04T14:36:03.457502Z",
"structure_string": "P4 H16 N4 O8 F8\n1.0\n7.795155 0.000000 0.000000\n0.000000 6.521148 -0.000000\n0.000000 -0.000000 7.830911\nP H N O F\n4 16 4 8 8\ndirect\n0.618752 0.250000 0.826823 P\n0.118753 0.250000 0.673177 P\n0.381247 0.750000 0.173177 P\n0.881247 0.750000 0.326823 P\n0.543084 0.379806 0.325497 H\n0.956915 0.620194 0.825497 H\n0.456915 0.879806 0.674503 H\n0.956915 0.879806 0.825497 H\n0.456915 0.620194 0.674503 H\n0.043085 0.379806 0.174503 H\n0.543084 0.120194 0.325497 H\n0.043085 0.120194 0.174503 H\n0.269999 0.750000 0.707249 H\n0.230000 0.250000 0.207249 H\n0.730000 0.250000 0.292751 H\n0.860482 0.750000 0.987388 H\n0.360482 0.750000 0.512611 H\n0.139517 0.250000 0.012611 H\n0.639517 0.250000 0.487388 H\n0.769999 0.750000 0.792751 H\n0.615393 0.250000 0.357858 N\n0.115394 0.250000 0.142142 N\n0.384606 0.750000 0.642142 N\n0.884606 0.750000 0.857858 N\n0.118780 0.051986 0.767284 O\n0.618780 0.448014 0.732716 O\n0.881219 0.551986 0.232716 O\n0.381220 0.948014 0.267284 O\n0.118780 0.448014 0.767284 O\n0.381220 0.551986 0.267284 O\n0.618780 0.051986 0.732716 O\n0.881219 0.948014 0.232716 O\n0.531582 0.750000 0.036315 F\n0.774513 0.250000 0.957535 F\n0.274513 0.250000 0.542465 F\n0.225486 0.750000 0.042465 F\n0.725486 0.750000 0.457535 F\n0.468417 0.250000 0.963685 F\n0.968417 0.250000 0.536315 F\n0.031582 0.750000 0.463685 F\n",
"nsites": 40,
"nelements": 5,
"elements": [
"P",
"H",
"N",
"O",
"F"
],
"chemical_system": "F-H-N-O-P",
"density": 1.9857451894255063,
"density_atomic": 0.10048445727580256,
"volume": 398.0715135895182,
"volume_molar": 5.993106718455828,
"formula_full": "P4 H16 N4 O8 F8",
"formula_reduced": "PH4N(OF)2",
"formula_anonymous": "ABC2D2E4",
"energy_above_hull": 2.6013406315,
"spacegroup": 62
},
{
"id": "jvasp-97668",
"created_at": "2022-09-04T14:36:04.979486Z",
"updated_at": "2022-09-04T14:36:04.979510Z",
"structure_string": "Li2 H40 C16 Br2 O8\n1.0\n6.312638 3.890178 -0.578819\n-6.312638 3.890178 0.578819\n0.226929 0.000000 11.929482\nLi H C Br O\n2 40 16 2 8\ndirect\n0.934295 0.934294 0.750000 Li\n0.065706 0.065706 0.250000 Li\n0.877130 0.365015 0.415386 H\n0.365015 0.877130 0.084614 H\n0.183163 0.898765 0.575135 H\n0.898765 0.183163 0.924865 H\n0.816837 0.101236 0.424865 H\n0.101236 0.816837 0.075135 H\n0.227042 0.787981 0.873623 H\n0.787981 0.227042 0.626377 H\n0.772959 0.212019 0.126377 H\n0.372492 0.923912 0.755692 H\n0.923912 0.372492 0.744307 H\n0.627509 0.076089 0.244308 H\n0.076089 0.627509 0.255692 H\n0.282374 0.653476 0.771250 H\n0.653476 0.282374 0.728750 H\n0.717627 0.346524 0.228750 H\n0.346524 0.717627 0.271250 H\n0.634986 0.122870 0.915386 H\n0.122870 0.634986 0.584614 H\n0.212019 0.772958 0.373623 H\n0.430403 0.234867 0.527397 H\n0.234868 0.430403 0.972603 H\n0.864469 0.701757 0.463699 H\n0.701757 0.864469 0.036300 H\n0.135532 0.298243 0.536300 H\n0.298244 0.135532 0.963699 H\n0.757715 0.540331 0.585078 H\n0.540331 0.757714 0.914921 H\n0.459669 0.242286 0.085078 H\n0.556719 0.892706 0.593438 H\n0.242286 0.459669 0.414921 H\n0.569598 0.765133 0.472603 H\n0.443282 0.107294 0.406562 H\n0.107294 0.443282 0.093438 H\n0.495386 0.629930 0.606275 H\n0.629930 0.495386 0.893725 H\n0.504614 0.370070 0.393725 H\n0.370070 0.504614 0.106275 H\n0.892706 0.556719 0.906562 H\n0.765133 0.569598 0.027397 H\n0.926321 0.252089 0.393866 C\n0.252089 0.926321 0.106134 C\n0.248963 0.780466 0.784279 C\n0.219535 0.751038 0.284279 C\n0.751038 0.219535 0.215720 C\n0.747912 0.073680 0.893866 C\n0.780466 0.248963 0.715720 C\n0.073680 0.747912 0.606134 C\n0.134919 0.306276 0.443688 C\n0.407793 0.223948 0.435451 C\n0.776052 0.592207 0.935451 C\n0.592207 0.776052 0.564549 C\n0.306276 0.134919 0.056312 C\n0.693725 0.865082 0.943687 C\n0.865082 0.693725 0.556312 C\n0.223948 0.407793 0.064549 C\n0.729231 0.729231 0.250000 Br\n0.270770 0.270770 0.750000 Br\n0.937654 0.251086 0.274053 O\n0.801558 0.835094 0.595670 O\n0.835094 0.801558 0.904330 O\n0.198443 0.164907 0.404330 O\n0.164907 0.198443 0.095670 O\n0.062346 0.748914 0.725947 O\n0.748915 0.062346 0.774053 O\n0.251086 0.937654 0.225947 O\n",
"nsites": 68,
"nelements": 5,
"elements": [
"Li",
"H",
"C",
"Br",
"O"
],
"chemical_system": "Br-C-H-Li-O",
"density": 1.51127347133743,
"density_atomic": 0.11585642638142672,
"volume": 586.9333460720421,
"volume_molar": 5.1979341570347515,
"formula_full": "Li2 H40 C16 Br2 O8",
"formula_reduced": "LiH20C8BrO4",
"formula_anonymous": "ABC4D8E20",
"energy_above_hull": 4.16607847367647,
"spacegroup": 15
},
{
"id": "jvasp-85775",
"created_at": "2022-09-04T14:36:09.228285Z",
"updated_at": "2022-09-04T14:36:09.228307Z",
"structure_string": "K2 Co1 H2 Se2 O10\n1.0\n5.202958 -0.152198 -0.654238\n-2.123209 6.083917 -2.096478\n-0.281821 0.248192 7.391607\nK Co H Se O\n2 1 2 2 10\ndirect\n0.324932 0.686238 0.266690 K\n0.675068 0.313762 0.733310 K\n0.000000 0.000000 0.000000 Co\n0.949750 0.021043 0.310739 H\n0.050251 0.978957 0.689261 H\n0.333730 0.733469 0.777006 Se\n0.666270 0.266531 0.222994 Se\n0.920086 0.264653 0.099909 O\n0.079914 0.735347 0.900090 O\n0.377089 0.181655 0.030554 O\n0.622912 0.818345 0.969446 O\n0.668215 0.111923 0.361435 O\n0.260871 0.473609 0.654715 O\n0.080985 0.978443 0.240221 O\n0.331785 0.888077 0.638565 O\n0.739130 0.526391 0.345285 O\n0.919015 0.021557 0.759779 O\n",
"nsites": 17,
"nelements": 5,
"elements": [
"K",
"Co",
"H",
"Se",
"O"
],
"chemical_system": "Co-H-K-O-Se",
"density": 3.2513845584420253,
"density_atomic": 0.0728274755816322,
"volume": 233.42838488126267,
"volume_molar": 8.269050536084823,
"formula_full": "K2 Co1 H2 Se2 O10",
"formula_reduced": "K2CoH2(SeO5)2",
"formula_anonymous": "AB2C2D2E10",
"energy_above_hull": 2.402704625490196,
"spacegroup": 2
}
]
}