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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=120",
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"results": [
{
"id": "jvasp-43906",
"created_at": "2022-09-04T14:37:01.265809Z",
"updated_at": "2022-09-04T14:37:01.265831Z",
"structure_string": "Na6 V2 O6\n1.0\n5.752193 0.103556 -0.106256\n0.321571 5.877081 -0.056262\n0.051456 2.693282 5.771378\nNa V O\n6 2 6\ndirect\n0.061447 0.769217 0.446350 Na\n0.150190 0.763435 0.979172 Na\n0.425205 0.277419 0.749817 Na\n0.574795 0.722581 0.250183 Na\n0.849810 0.236565 0.020828 Na\n0.938553 0.230783 0.553650 Na\n0.376450 0.199966 0.296007 V\n0.623550 0.800034 0.703993 V\n0.237292 0.090866 0.107770 O\n0.248879 0.465510 0.351646 O\n0.311355 0.948722 0.616799 O\n0.688645 0.051278 0.383201 O\n0.751121 0.534490 0.648354 O\n0.762709 0.909134 0.892230 O\n",
"nsites": 14,
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],
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"volume": 195.72704898128643,
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"formula_full": "Na6 V2 O6",
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"spacegroup": 2
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{
"id": "jvasp-57094",
"created_at": "2022-09-04T14:37:01.223664Z",
"updated_at": "2022-09-04T14:37:01.223690Z",
"structure_string": "Rb4 Sb8 S14\n1.0\n-7.451904 -0.087444 -0.045690\n2.234684 9.381099 -0.177731\n-0.543869 -1.820371 -11.372077\nRb Sb S\n4 8 14\ndirect\n0.287116 0.331923 0.107732 Rb\n0.418896 0.724446 0.559106 Rb\n0.581105 0.275555 0.440894 Rb\n0.712885 0.668077 0.892268 Rb\n0.501220 0.804090 0.233896 Sb\n0.862024 0.562783 0.187593 Sb\n0.959658 0.044258 0.659483 Sb\n0.256184 0.865006 0.950520 Sb\n0.743816 0.134995 0.049480 Sb\n0.137977 0.437217 0.812407 Sb\n0.040342 0.955743 0.340517 Sb\n0.498780 0.195910 0.766104 Sb\n0.945527 0.299625 0.641768 S\n0.762540 0.979132 0.458734 S\n0.110276 0.678026 0.767476 S\n0.889724 0.321975 0.232524 S\n0.553391 0.936810 0.843850 S\n0.446610 0.063191 0.156150 S\n0.818522 0.867935 0.145448 S\n0.054473 0.700376 0.358232 S\n0.237460 0.020869 0.541266 S\n0.439968 0.438612 0.706592 S\n0.669226 0.335874 0.948533 S\n0.560032 0.561389 0.293408 S\n0.330775 0.664127 0.051467 S\n0.181479 0.132065 0.854552 S\n",
"nsites": 26,
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"elements": [
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],
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"density_atomic": 0.03269940952626094,
"volume": 795.121391385351,
"volume_molar": 18.416665154652442,
"formula_full": "Rb4 Sb8 S14",
"formula_reduced": "Rb2Sb4S7",
"formula_anonymous": "A2B4C7",
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{
"id": "jvasp-104034",
"created_at": "2022-09-04T14:37:00.752890Z",
"updated_at": "2022-09-04T14:37:00.752911Z",
"structure_string": "H28 C18 O6\n1.0\n5.922727 0.126021 -0.333927\n-2.802695 5.151430 -0.166336\n0.219659 0.173473 13.462286\nH C O\n28 18 6\ndirect\n0.080943 0.180966 0.970960 H\n0.593612 0.176688 0.404867 H\n0.406389 0.823311 0.595133 H\n0.515777 0.222271 0.555196 H\n-0.016594 0.536390 0.416759 H\n0.016594 0.463610 0.583241 H\n0.834453 0.708672 0.471837 H\n0.165548 0.291328 0.528162 H\n0.507010 0.754590 0.233237 H\n0.492991 0.245409 0.766763 H\n0.361688 0.498408 0.313464 H\n0.638313 0.501592 0.686535 H\n0.448976 0.211985 0.053078 H\n0.551025 0.788014 0.946922 H\n0.484224 0.777728 0.444804 H\n0.278076 0.836877 0.939988 H\n0.702313 0.381046 0.973180 H\n0.297688 0.618953 0.026819 H\n0.179322 0.880365 0.309322 H\n0.820679 0.119634 0.690678 H\n0.013774 0.056005 0.338697 H\n0.986227 0.943994 0.661302 H\n0.889535 0.372145 0.249324 H\n0.110466 0.627854 0.750676 H\n0.558029 0.263183 0.237655 H\n0.441972 0.736816 0.762345 H\n0.919058 0.819033 0.029040 H\n0.721925 0.163122 0.060012 H\n0.004506 0.897116 0.290643 C\n0.343778 0.691644 0.952150 C\n0.656223 0.308355 0.047850 C\n0.810042 0.561221 0.414491 C\n0.530017 0.682696 0.305700 C\n0.189959 0.438778 0.585509 C\n0.995495 0.102884 0.709357 C\n0.469984 0.317303 0.694300 C\n0.014604 0.970368 0.182972 C\n0.771118 0.515911 0.127594 C\n0.899352 0.766070 0.106397 C\n0.100649 0.233929 0.893603 C\n0.228883 0.484088 0.872406 C\n0.742082 0.434090 0.232904 C\n0.257919 0.565909 0.767096 C\n0.770601 0.644158 0.310620 C\n0.229400 0.355842 0.689379 C\n0.985397 0.029631 0.817027 C\n0.458393 0.133282 0.618595 O\n0.404768 0.671601 0.559698 O\n0.595233 0.328398 0.440302 O\n0.874541 0.799849 0.838576 O\n0.125460 0.200151 0.161423 O\n0.541609 0.866717 0.381405 O\n",
"nsites": 52,
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],
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"density": 1.358151690459569,
"density_atomic": 0.1249391454205194,
"volume": 416.20262268465757,
"volume_molar": 4.82005918940034,
"formula_full": "H28 C18 O6",
"formula_reduced": "H14(C3O)3",
"formula_anonymous": "A3B9C14",
"energy_above_hull": 4.789890403846154,
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},
{
"id": "jvasp-29462",
"created_at": "2022-09-04T14:37:01.376451Z",
"updated_at": "2022-09-04T14:37:01.376478Z",
"structure_string": "Hg6 Se8 O10\n1.0\n7.245822 0.069623 -2.349875\n-2.738220 7.300567 -0.755159\n0.009431 -0.010025 8.973973\nHg Se O\n6 8 10\ndirect\n0.007396 0.477365 0.720140 Hg\n0.295110 0.821345 0.094433 Hg\n0.017330 0.985259 0.755906 Hg\n0.704889 0.178655 0.905566 Hg\n0.992604 0.522635 0.279859 Hg\n0.982670 0.014742 0.244093 Hg\n0.377797 0.324346 0.601209 Se\n0.770759 0.145605 0.641776 Se\n0.746746 0.194990 0.201193 Se\n0.622203 0.675655 0.398790 Se\n0.253254 0.805011 0.798806 Se\n0.650379 0.638717 0.910061 Se\n0.229241 0.854396 0.358223 Se\n0.349620 0.361283 0.089938 Se\n0.834696 0.635681 0.473427 O\n0.438853 0.438702 0.316386 O\n0.165304 0.364319 0.526572 O\n0.789223 0.856559 0.922638 O\n0.179702 0.463747 0.035372 O\n0.210777 0.143442 0.077361 O\n0.820298 0.536254 0.964627 O\n0.626635 0.741681 0.223220 O\n0.561147 0.561299 0.683613 O\n0.373365 0.258319 0.776779 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "Hg-O-Se",
"density": 6.953588530769913,
"density_atomic": 0.05037112482236707,
"volume": 476.4634517223032,
"volume_molar": 11.955541555279893,
"formula_full": "Hg6 Se8 O10",
"formula_reduced": "Hg3Se4O5",
"formula_anonymous": "A3B4C5",
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"spacegroup": 2
},
{
"id": "jvasp-57379",
"created_at": "2022-09-04T14:37:01.611321Z",
"updated_at": "2022-09-04T14:37:01.611351Z",
"structure_string": "Bi4 W2 O12\n1.0\n-3.870019 -0.009348 0.023111\n-0.020787 -8.275266 -0.022866\n1.890682 1.685937 7.949976\nBi W O\n4 2 12\ndirect\n0.689120 0.604693 0.359274 Bi\n0.310882 0.395307 0.640726 Bi\n0.319938 0.928457 0.667828 Bi\n0.680064 0.071543 0.332172 Bi\n0.036462 0.703609 0.007299 W\n0.963539 0.296391 0.992701 W\n0.926461 0.830823 0.854247 O\n0.248583 0.118763 0.495342 O\n0.088958 0.841261 0.216200 O\n0.080703 0.512548 0.156061 O\n0.911044 0.158739 0.783799 O\n0.919299 0.487453 0.843938 O\n0.262874 0.636052 0.535718 O\n0.512110 0.686327 0.012268 O\n0.737127 0.363948 0.464282 O\n0.751419 0.881237 0.504658 O\n0.073541 0.169177 0.145753 O\n0.487892 0.313674 0.987731 O\n",
"nsites": 18,
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"elements": [
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"W",
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],
"chemical_system": "Bi-O-W",
"density": 9.094704749682917,
"density_atomic": 0.07064034216953358,
"volume": 254.81190276231712,
"volume_molar": 8.52507303198948,
"formula_full": "Bi4 W2 O12",
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"formula_anonymous": "AB2C6",
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"spacegroup": 2
},
{
"id": "jvasp-11171",
"created_at": "2022-09-04T14:37:01.784115Z",
"updated_at": "2022-09-04T14:37:01.784128Z",
"structure_string": "Tl4 Ge2 Se6\n1.0\n6.939790 -0.017759 -0.042344\n-2.814700 -6.398206 0.095686\n-3.205812 1.434071 -8.094208\nTl Ge Se\n4 2 6\ndirect\n0.748313 0.318337 0.105691 Tl\n0.251687 0.681664 0.894309 Tl\n0.886935 0.056070 0.666747 Tl\n0.113065 0.943931 0.333252 Tl\n0.430749 0.549261 0.311972 Ge\n0.569252 0.450740 0.688027 Ge\n0.770240 0.723186 0.921260 Se\n0.229760 0.276815 0.078739 Se\n0.518929 0.899609 0.265892 Se\n0.481071 0.100392 0.734107 Se\n0.222811 0.466293 0.494381 Se\n0.777189 0.533708 0.505618 Se\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Ge-Se-Tl",
"density": 6.628229367010253,
"density_atomic": 0.03334278845087374,
"volume": 359.8979136877061,
"volume_molar": 18.061299128814138,
"formula_full": "Tl4 Ge2 Se6",
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"formula_anonymous": "AB2C3",
"energy_above_hull": 0.6206702083333334,
"spacegroup": 2
},
{
"id": "jvasp-11783",
"created_at": "2022-09-04T14:37:01.817178Z",
"updated_at": "2022-09-04T14:37:01.817198Z",
"structure_string": "Na8 W2 N4 O4\n1.0\n5.870083 0.011829 -0.010713\n2.055656 5.529214 0.009567\n2.845947 0.078898 8.460167\nNa W N O\n8 2 4 4\ndirect\n0.242026 0.763371 0.983017 Na\n0.757974 0.236628 0.016983 Na\n0.053754 0.759738 0.403590 Na\n0.946246 0.240262 0.596411 Na\n0.479184 0.741377 0.553151 Na\n0.520816 0.258623 0.446850 Na\n0.612893 0.722378 0.186834 Na\n0.387107 0.277621 0.813167 Na\n0.159803 0.282185 0.235059 W\n0.840197 0.717815 0.764942 W\n0.297805 0.037930 0.360275 N\n0.157643 0.542598 0.645522 N\n0.842357 0.457402 0.354479 N\n0.702195 0.962070 0.639726 N\n0.640416 0.511380 0.816448 O\n0.150502 0.158204 0.051971 O\n0.359584 0.488620 0.183553 O\n0.849498 0.841796 0.948030 O\n",
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"density": 4.062148434021618,
"density_atomic": 0.06556226130447537,
"volume": 274.5481873544117,
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"formula_full": "Na8 W2 N4 O4",
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"spacegroup": 2
},
{
"id": "jvasp-101981",
"created_at": "2022-09-04T14:37:02.063863Z",
"updated_at": "2022-09-04T14:37:02.063899Z",
"structure_string": "H16 Pb2 C12 O8\n1.0\n4.290954 0.110635 0.392233\n1.450933 7.645815 1.749500\n0.029888 0.036346 10.787396\nH Pb C O\n16 2 12 8\ndirect\n0.314605 0.832934 0.317396 H\n0.865447 0.123171 0.699685 H\n0.868259 0.625274 0.698645 H\n0.778384 0.355875 0.659656 H\n0.774833 0.857891 0.659622 H\n0.291814 0.854423 0.549342 H\n0.363543 0.123679 0.592676 H\n0.365331 0.622776 0.593048 H\n0.293083 0.355312 0.549234 H\n0.817505 0.835433 0.423004 H\n0.889781 0.102877 0.466816 H\n0.891019 0.603787 0.466716 H\n0.404445 0.102351 0.356401 H\n0.407985 0.600315 0.356451 H\n0.317469 0.335053 0.316353 H\n0.819365 0.334509 0.423377 H\n0.094343 0.478827 0.007704 Pb\n0.088532 0.979365 0.008355 Pb\n0.670536 0.239393 0.681170 C\n0.462370 0.248279 0.801603 C\n0.464341 0.746129 0.802164 C\n0.483216 0.235851 0.567879 C\n0.483302 0.735587 0.567969 C\n0.670649 0.740137 0.680993 C\n0.718525 0.712028 0.213903 C\n0.699533 0.722624 0.448087 C\n0.512343 0.218815 0.334880 C\n0.512193 0.718062 0.335066 C\n0.720518 0.209888 0.214453 C\n0.699667 0.222347 0.448172 C\n0.552559 0.631259 0.904468 O\n0.975990 0.596966 0.215260 O\n0.975004 0.092449 0.217215 O\n0.630350 0.826885 0.111586 O\n0.636748 0.324174 0.111413 O\n0.206850 0.861170 0.800825 O\n0.207878 0.365711 0.798860 O\n0.546152 0.133961 0.904627 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
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"C",
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],
"chemical_system": "C-H-O-Pb",
"density": 3.316186819761636,
"density_atomic": 0.10800255803290568,
"volume": 351.84351826576506,
"volume_molar": 5.575924190763338,
"formula_full": "H16 Pb2 C12 O8",
"formula_reduced": "H8Pb(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.3948813063157885,
"spacegroup": 2
},
{
"id": "jvasp-49810",
"created_at": "2022-09-04T14:37:02.167922Z",
"updated_at": "2022-09-04T14:37:02.167943Z",
"structure_string": "Li4 Ti2 B4 O12\n1.0\n5.045857 -0.090064 -0.007278\n0.159476 5.902750 -0.061539\n0.351706 1.951663 7.892020\nLi Ti B O\n4 2 4 12\ndirect\n0.336014 0.676449 0.606739 Li\n0.170294 0.490607 0.203697 Li\n0.860242 0.488752 0.784776 Li\n0.694526 0.302919 0.381720 Li\n0.360895 -0.001470 0.245201 Ti\n0.669656 -0.019168 0.743251 Ti\n0.849244 0.831500 0.434682 B\n0.363786 0.307146 0.898592 B\n0.666763 0.672224 0.089860 B\n0.181303 0.147859 0.553771 B\n0.909924 0.170526 0.582691 O\n0.302656 0.248794 0.401452 O\n0.807373 0.538510 0.208403 O\n0.613572 0.214471 0.860799 O\n0.416979 0.764896 0.127650 O\n0.319360 -0.008189 0.677916 O\n0.727888 0.730566 0.586999 O\n0.120626 0.808840 0.405757 O\n0.747753 0.728556 0.917334 O\n0.282806 0.250811 0.071119 O\n0.223171 0.440856 0.780053 O\n0.711194 0.987549 0.310534 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "B-Li-O-Ti",
"density": 2.5263339768711606,
"density_atomic": 0.09330197517955302,
"volume": 235.79350766864863,
"volume_molar": 6.454462243067007,
"formula_full": "Li4 Ti2 B4 O12",
"formula_reduced": "Li2Ti(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.9070995,
"spacegroup": 2
},
{
"id": "jvasp-52409",
"created_at": "2022-09-04T14:37:03.240383Z",
"updated_at": "2022-09-04T14:37:03.240399Z",
"structure_string": "Zn4 P2 H2 O10\n1.0\n5.553683 0.029463 0.041485\n0.294231 5.733682 0.009684\n1.445450 1.324817 6.241800\nZn P H O\n4 2 2 10\ndirect\n0.385315 0.248683 0.508577 Zn\n0.614685 0.751317 0.491421 Zn\n0.026099 0.737373 0.811892 Zn\n0.973901 0.262627 0.188107 Zn\n0.832397 0.249955 0.726518 P\n0.167603 0.750045 0.273480 P\n0.434678 0.905993 0.825347 H\n0.565322 0.094007 0.174652 H\n0.027849 0.248097 0.513298 O\n0.972151 0.751903 0.486701 O\n0.405543 0.619715 0.329196 O\n0.594457 0.380285 0.670802 O\n0.771083 0.992762 0.851996 O\n0.939655 0.387698 0.865980 O\n0.228917 0.007238 0.148003 O\n0.360311 0.889121 0.705893 O\n0.060345 0.612302 0.134019 O\n0.639689 0.110879 0.294105 O\n",
"nsites": 18,
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"elements": [
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"chemical_system": "H-O-P-Zn",
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"density_atomic": 0.09076910078758219,
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"volume_molar": 6.634571354951517,
"formula_full": "Zn4 P2 H2 O10",
"formula_reduced": "Zn2PHO5",
"formula_anonymous": "ABC2D5",
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"spacegroup": 2
},
{
"id": "jvasp-104021",
"created_at": "2022-09-04T14:37:03.363726Z",
"updated_at": "2022-09-04T14:37:03.363758Z",
"structure_string": "H46 C30\n1.0\n5.890009 0.051363 0.668801\n2.497327 9.428760 0.044157\n-0.082068 -0.040624 10.384369\nH C\n46 30\ndirect\n0.774650 0.236297 0.086094 H\n0.738910 0.181929 0.745883 H\n0.501429 0.641159 0.011084 H\n0.498572 0.358841 0.988916 H\n0.249047 0.617251 0.105886 H\n0.750953 0.382749 0.894115 H\n0.480425 0.572178 0.299757 H\n0.519576 0.427822 0.700243 H\n0.614307 0.450791 0.170020 H\n0.385694 0.549209 0.829980 H\n0.261090 0.818071 0.254118 H\n0.916492 0.548789 0.264287 H\n0.889472 0.598115 0.101588 H\n0.897384 0.807041 0.238880 H\n0.102616 0.192959 0.761120 H\n0.654268 0.785143 0.342519 H\n0.345732 0.214857 0.657481 H\n0.655088 0.855825 0.053701 H\n0.344912 0.144175 0.946299 H\n0.525337 0.975178 0.184440 H\n0.474664 0.024822 0.815561 H\n0.083508 0.451211 0.735713 H\n0.312370 0.775488 0.705141 H\n0.110528 0.401885 0.898412 H\n0.253011 0.950284 0.647564 H\n0.687631 0.224512 0.294859 H\n0.225350 0.763703 0.913906 H\n0.176513 0.023390 0.307520 H\n0.823488 0.976610 0.692481 H\n0.331631 0.205245 0.188648 H\n0.044549 0.318813 0.193366 H\n0.955451 0.681187 0.806634 H\n0.305776 0.211093 0.429543 H\n0.694224 0.788907 0.570457 H\n0.252434 0.385918 0.371913 H\n0.668369 0.794755 0.811353 H\n0.817127 0.419520 0.423434 H\n0.182873 0.580480 0.576567 H\n0.962701 0.368227 0.562735 H\n0.037299 0.631773 0.437265 H\n0.665282 0.231426 0.534023 H\n0.334719 0.768574 0.465977 H\n0.954049 0.118788 0.528977 H\n0.045951 0.881212 0.471023 H\n0.747566 0.614082 0.628087 H\n0.746989 0.049716 0.352436 H\n0.816634 0.143925 0.342785 C\n0.183366 0.856075 0.657215 C\n0.341331 0.812711 0.152757 C\n0.658669 0.187289 0.847244 C\n0.407827 0.654716 0.109826 C\n0.592173 0.345285 0.890174 C\n0.204033 0.386550 0.799368 C\n0.428550 0.436325 0.799627 C\n0.795967 0.613450 0.200633 C\n0.736609 0.771059 0.241155 C\n0.161383 0.797479 0.523566 C\n0.263391 0.228941 0.758845 C\n0.571450 0.563675 0.200373 C\n0.838617 0.202521 0.476435 C\n0.967048 0.953577 0.875604 C\n0.941831 0.330974 0.465792 C\n0.820807 0.706848 0.618930 C\n0.179194 0.293152 0.381070 C\n0.841714 0.764849 0.753390 C\n0.158286 0.235151 0.246610 C\n0.945313 0.894791 0.743201 C\n0.054687 0.105209 0.256799 C\n0.126164 0.868639 0.952428 C\n0.873836 0.131361 0.047572 C\n0.032953 0.046423 0.124396 C\n0.836134 0.089478 0.924537 C\n0.163866 0.910522 0.075463 C\n0.567960 0.862670 0.153588 C\n0.058170 0.669026 0.534209 C\n0.432041 0.137330 0.846413 C\n",
"nsites": 76,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.1727759853238042,
"density_atomic": 0.13198363362788804,
"volume": 575.8289714486332,
"volume_molar": 4.562793578618014,
"formula_full": "H46 C30",
"formula_reduced": "H23C15",
"formula_anonymous": "A15B23",
"energy_above_hull": 5.100723947368421,
"spacegroup": 2
},
{
"id": "jvasp-32703",
"created_at": "2022-09-04T14:37:03.408599Z",
"updated_at": "2022-09-04T14:37:03.408609Z",
"structure_string": "Mn1 H10 S2 N4 O8\n1.0\n5.275259 0.012458 -1.356904\n-1.037394 5.705239 -0.268458\n-0.034000 -0.003009 7.386948\nMn H S N O\n1 10 2 4 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.780773 0.451799 0.826810 H\n0.560982 0.216287 0.710435 H\n0.219228 0.548202 0.173191 H\n0.902971 0.711605 0.277199 H\n0.871151 0.066252 0.613479 H\n0.097029 0.288396 0.722802 H\n0.712867 0.407343 0.586725 H\n0.287134 0.592658 0.413276 H\n0.439019 0.783714 0.289566 H\n0.128850 0.933748 0.386522 H\n0.639241 0.252329 0.221438 S\n0.360760 0.747672 0.778563 S\n0.069295 0.819251 0.266403 N\n0.265429 0.673092 0.286685 N\n0.930706 0.180749 0.733598 N\n0.734572 0.326908 0.713315 N\n0.694887 0.467223 0.353249 O\n0.833280 0.275323 0.108763 O\n0.375727 0.232404 0.093581 O\n0.660475 0.044386 0.329889 O\n0.339526 0.955614 0.670112 O\n0.624274 0.767597 0.906420 O\n0.166721 0.724678 0.891238 O\n0.305114 0.532777 0.646752 O\n",
"nsites": 25,
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"elements": [
"Mn",
"H",
"S",
"N",
"O"
],
"chemical_system": "H-Mn-N-O-S",
"density": 2.3409384563143583,
"density_atomic": 0.11253860429530375,
"volume": 222.1459929821011,
"volume_molar": 5.351177756032739,
"formula_full": "Mn1 H10 S2 N4 O8",
"formula_reduced": "MnH10S2(NO2)4",
"formula_anonymous": "AB2C4D8E10",
"energy_above_hull": 3.731837929655172,
"spacegroup": 2
}
]
}