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=-chemical_system&page=1261",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1259",
"results": [
{
"id": "jvasp-97932",
"created_at": "2022-09-04T14:36:01.145445Z",
"updated_at": "2022-09-04T14:36:01.145471Z",
"structure_string": "H8 S8 N12 O2\n1.0\n8.497819 3.106999 -2.489593\n-8.497819 3.106999 2.489593\n-0.186416 0.000000 7.022322\nH S N O\n8 8 12 2\ndirect\n0.794436 0.205565 0.084619 H\n0.205565 0.794436 0.915380 H\n0.001417 0.266018 0.255592 H\n0.733982 0.998584 0.255592 H\n0.998583 0.733983 0.744408 H\n0.266018 0.001417 0.744408 H\n0.886121 0.113880 0.060927 H\n0.113879 0.886121 0.939072 H\n0.319884 0.680117 0.460939 S\n0.670367 0.769416 0.708833 S\n0.230585 0.329633 0.708833 S\n0.680116 0.319884 0.539061 S\n0.769415 0.670367 0.291166 S\n0.353013 0.646988 0.868239 S\n0.646988 0.353013 0.131760 S\n0.329633 0.230585 0.291166 S\n0.145506 0.854495 0.838359 N\n0.854494 0.145506 0.161641 N\n0.285671 0.714329 0.656494 N\n0.714329 0.285671 0.343506 N\n0.588705 0.820043 0.491799 N\n0.179958 0.411296 0.491799 N\n0.820043 0.588705 0.508201 N\n0.616600 0.796496 0.891055 N\n0.203505 0.383400 0.891055 N\n0.383400 0.203505 0.108945 N\n0.796496 0.616600 0.108945 N\n0.411295 0.179958 0.508201 N\n0.684163 0.315837 0.974162 O\n0.315837 0.684164 0.025838 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"H",
"S",
"N",
"O"
],
"chemical_system": "H-N-O-S",
"density": 2.097096428216092,
"density_atomic": 0.08153662434361976,
"volume": 367.9328184298017,
"volume_molar": 7.385810742692628,
"formula_full": "H8 S8 N12 O2",
"formula_reduced": "H4S4N6O",
"formula_anonymous": "AB4C4D6",
"energy_above_hull": 4.248311533333333,
"spacegroup": 12
},
{
"id": "jvasp-85646",
"created_at": "2022-09-04T14:35:56.181220Z",
"updated_at": "2022-09-04T14:35:56.181240Z",
"structure_string": "H8 S2 N4 O4\n1.0\n4.473350 8.366970 -0.000315\n0.000114 8.366810 2.249906\n4.473285 -0.000125 2.250698\nH S N O\n8 2 4 4\ndirect\n0.686200 0.707134 0.098262 H\n0.510196 0.099500 0.705875 H\n0.151930 0.741421 0.564048 H\n0.544352 0.565373 0.740070 H\n0.407946 0.879865 0.049442 H\n0.664531 0.050727 0.878576 H\n0.200777 0.587044 0.842274 H\n0.371644 0.843615 0.585690 H\n0.989586 0.011978 0.010602 S\n0.239629 0.261926 0.260629 S\n0.436158 0.919413 0.192307 N\n0.453918 0.193578 0.918117 N\n0.057906 0.797680 0.814069 N\n0.332094 0.815417 0.796316 N\n0.919793 0.515676 0.331635 O\n0.234809 0.332869 0.514293 O\n0.918615 0.016850 0.330403 O\n0.735884 0.331802 0.015459 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"H",
"S",
"N",
"O"
],
"chemical_system": "H-N-O-S",
"density": 1.8947428731327125,
"density_atomic": 0.10685130149113767,
"volume": 168.45840667175153,
"volume_molar": 5.636001317681172,
"formula_full": "H8 S2 N4 O4",
"formula_reduced": "H4S(NO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 3.531737055555556,
"spacegroup": 43
},
{
"id": "jvasp-32189",
"created_at": "2022-09-04T14:38:04.041757Z",
"updated_at": "2022-09-04T14:38:04.041780Z",
"structure_string": "Re2 H8 N2 O8\n1.0\n5.553421 0.000000 -2.410913\n-1.046653 5.453898 -2.410913\n-0.047029 -0.056912 7.493144\nRe H N O\n2 8 2 8\ndirect\n0.000000 0.000000 0.000000 Re\n0.250000 0.750001 0.500000 Re\n0.848193 0.169871 0.599592 H\n0.401807 0.580130 0.900409 H\n0.419871 0.501399 0.099592 H\n0.570280 0.151807 0.400409 H\n0.751399 0.429720 0.599592 H\n0.679720 0.598193 0.099592 H\n0.498602 0.320281 0.900409 H\n0.830129 0.248602 0.400409 H\n0.500000 0.500000 0.000001 N\n0.750000 0.250000 0.500000 N\n0.457987 0.033634 0.663113 O\n0.283635 0.955126 0.163114 O\n0.792013 0.716367 0.836887 O\n0.370521 0.542013 0.336887 O\n0.966366 0.794875 0.336888 O\n0.205126 0.629480 0.663114 O\n0.879479 0.207988 0.163114 O\n0.044874 0.120521 0.836887 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Re",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-Re",
"density": 3.9518642782635443,
"density_atomic": 0.08872059152748701,
"volume": 225.42681079627033,
"volume_molar": 6.787759928465139,
"formula_full": "Re2 H8 N2 O8",
"formula_reduced": "ReH4NO4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 3.724685525000001,
"spacegroup": 88
},
{
"id": "jvasp-91442",
"created_at": "2022-09-04T14:35:52.862410Z",
"updated_at": "2022-09-04T14:35:52.862439Z",
"structure_string": "Rb4 H16 S4 N4 O16\n1.0\n6.080665 -0.000000 0.000000\n0.000000 7.612053 0.000000\n0.000000 0.000000 10.603413\nRb H S N O\n4 16 4 4 16\ndirect\n0.750001 0.822823 0.601463 Rb\n0.250000 0.677177 0.101463 Rb\n0.750001 0.322823 0.898537 Rb\n0.250000 0.177177 0.398537 Rb\n0.250000 0.587718 0.654251 H\n0.750001 0.514756 0.201867 H\n0.113377 0.392724 0.676197 H\n0.613377 0.107276 0.176197 H\n0.250000 0.485244 0.798132 H\n0.750001 0.912282 0.154251 H\n0.113377 0.892724 0.823803 H\n0.750001 0.412282 0.345749 H\n0.613377 0.607276 0.323803 H\n0.886624 0.607276 0.323803 H\n0.886624 0.107276 0.176197 H\n0.250000 0.087718 0.845749 H\n0.250000 0.985244 0.701867 H\n0.386623 0.892724 0.823803 H\n0.750001 0.014756 0.298132 H\n0.386623 0.392724 0.676197 H\n0.750001 0.766709 0.927245 S\n0.250000 0.733291 0.427245 S\n0.750001 0.266709 0.572754 S\n0.250000 0.233291 0.072754 S\n0.250000 0.967261 0.798162 N\n0.750001 0.532738 0.298162 N\n0.750001 0.032739 0.201837 N\n0.250000 0.467261 0.701837 N\n0.450333 0.308530 0.133847 O\n0.750001 0.959443 0.913527 O\n0.250000 0.284045 0.936133 O\n0.049667 0.308530 0.133847 O\n0.750001 0.459443 0.586473 O\n0.750001 0.715954 0.063866 O\n0.549667 0.191470 0.633847 O\n0.450333 0.808529 0.366153 O\n0.250000 0.784045 0.563866 O\n0.549667 0.691470 0.866153 O\n0.950334 0.191470 0.633847 O\n0.250000 0.540557 0.413527 O\n0.950334 0.691470 0.866153 O\n0.750001 0.215955 0.436134 O\n0.250000 0.040557 0.086473 O\n0.049667 0.808529 0.366153 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Rb",
"H",
"S",
"N",
"O"
],
"chemical_system": "H-N-O-Rb-S",
"density": 2.7008676732482764,
"density_atomic": 0.08965078940101781,
"volume": 490.79322439854013,
"volume_molar": 6.71733154859608,
"formula_full": "Rb4 H16 S4 N4 O16",
"formula_reduced": "RbH4SNO4",
"formula_anonymous": "ABCD4E4",
"energy_above_hull": 2.7559061136363634,
"spacegroup": 62
},
{
"id": "jvasp-95257",
"created_at": "2022-09-04T14:36:03.858122Z",
"updated_at": "2022-09-04T14:36:03.858151Z",
"structure_string": "V4 P4 H20 N4 O24\n1.0\n6.829536 0.000000 0.000000\n0.000000 9.207101 0.000000\n0.000000 0.000000 8.691415\nV P H N O\n4 4 20 4 24\ndirect\n0.534203 0.964358 0.480224 V\n0.465797 0.464358 0.519776 V\n0.965797 0.464358 0.480224 V\n0.034203 0.964358 0.519776 V\n0.815069 0.029010 0.192518 P\n0.184931 0.529010 0.807482 P\n0.684932 0.529010 0.192518 P\n0.315069 0.029010 0.807482 P\n0.339402 0.323112 0.225090 H\n0.660599 0.823112 0.774911 H\n0.160598 0.823112 0.225090 H\n0.777754 0.316309 0.094579 H\n0.722246 0.816309 0.094579 H\n0.277754 0.316309 0.905421 H\n0.709739 0.655332 0.702531 H\n0.839402 0.323112 0.774911 H\n0.290262 0.155332 0.297469 H\n0.222246 0.816309 0.905421 H\n0.209739 0.655332 0.297469 H\n0.840560 0.178123 0.893682 H\n0.159441 0.678123 0.106319 H\n0.659441 0.678123 0.893682 H\n0.340559 0.178123 0.106319 H\n0.625428 0.233495 0.821657 H\n0.374573 0.733495 0.178343 H\n0.874573 0.733495 0.821657 H\n0.125428 0.233495 0.178343 H\n0.790262 0.155332 0.702531 H\n0.774185 0.223503 0.797427 N\n0.225815 0.723503 0.202574 N\n0.274185 0.223503 0.202574 N\n0.725815 0.723503 0.797427 N\n0.779924 0.914694 0.061123 O\n0.875699 0.169449 0.114549 O\n0.041482 0.790775 0.548784 O\n0.958519 0.290775 0.451216 O\n0.458518 0.290775 0.548784 O\n0.124302 0.669450 0.885452 O\n0.541482 0.790775 0.451216 O\n0.279924 0.914694 0.938878 O\n0.720077 0.414694 0.061123 O\n0.220076 0.414694 0.938878 O\n0.122952 0.044893 0.712127 O\n0.980335 0.968370 0.297407 O\n0.377049 0.544893 0.712127 O\n0.622952 0.044893 0.287874 O\n0.480335 0.968370 0.702594 O\n0.519666 0.468370 0.297407 O\n0.019666 0.468370 0.702594 O\n0.290506 0.018132 0.446913 O\n0.709494 0.518132 0.553088 O\n0.209494 0.518132 0.446913 O\n0.790507 0.018132 0.553088 O\n0.624302 0.669450 0.114549 O\n0.877049 0.544893 0.287874 O\n0.375698 0.169449 0.885452 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"V",
"P",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-P-V",
"density": 2.3937470601155817,
"density_atomic": 0.10246686141117421,
"volume": 546.518154540577,
"volume_molar": 5.877159383104979,
"formula_full": "V4 P4 H20 N4 O24",
"formula_reduced": "VPH5NO6",
"formula_anonymous": "ABCD5E6",
"energy_above_hull": 3.4049809964285718,
"spacegroup": 29
},
{
"id": "jvasp-95217",
"created_at": "2022-09-04T14:36:08.557142Z",
"updated_at": "2022-09-04T14:36:08.557175Z",
"structure_string": "Sm2 P6 H10 N2 O20\n1.0\n6.740408 -0.006007 -1.952311\n0.432620 7.412984 -2.207213\n-0.039459 -0.020373 8.634931\nSm P H N O\n2 6 10 2 20\ndirect\n0.772244 0.369177 0.007783 Sm\n0.227756 0.630823 0.992218 Sm\n0.671027 0.694271 0.841919 P\n0.328973 0.305729 0.158081 P\n0.854971 0.965072 0.140068 P\n0.145029 0.034928 0.859932 P\n0.672236 0.772089 0.313205 P\n0.327765 0.227910 0.686796 P\n0.344032 0.694321 0.539443 H\n0.655968 0.305678 0.460557 H\n0.148001 0.602292 0.373855 H\n0.851999 0.397707 0.626145 H\n0.687540 0.802542 0.578977 H\n0.806529 0.181681 0.585111 H\n0.312461 0.197457 0.421023 H\n0.894759 0.251576 0.450051 H\n0.193472 0.818318 0.414890 H\n0.105241 0.748424 0.549949 H\n0.197450 0.714884 0.470009 N\n0.802550 0.285115 0.529992 N\n0.747688 0.855074 0.507533 O\n0.198381 0.392541 0.745680 O\n0.801619 0.607459 0.254320 O\n0.450438 0.753867 0.256250 O\n0.549562 0.246132 0.743750 O\n0.279577 0.061286 0.747767 O\n0.720423 0.938714 0.252233 O\n0.131807 0.834287 0.823011 O\n0.868193 0.165713 0.176989 O\n0.043930 0.849026 0.162892 O\n0.277903 0.099014 0.049650 O\n0.722098 0.900985 0.950350 O\n0.134227 0.425766 0.129910 O\n0.865773 0.574233 0.870091 O\n0.465654 0.368060 0.076730 O\n0.534346 0.631940 0.923270 O\n0.413529 0.296601 0.336580 O\n0.586471 0.703399 0.663420 O\n0.956070 0.150973 0.837109 O\n0.252312 0.144925 0.492467 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Sm",
"P",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-P-Sm",
"density": 3.257059596398834,
"density_atomic": 0.09288877180700073,
"volume": 430.62255234798283,
"volume_molar": 6.4831740616750535,
"formula_full": "Sm2 P6 H10 N2 O20",
"formula_reduced": "SmP3H5NO10",
"formula_anonymous": "ABC3D5E10",
"energy_above_hull": 3.22503768125,
"spacegroup": 2
},
{
"id": "jvasp-85786",
"created_at": "2022-09-04T14:35:55.569978Z",
"updated_at": "2022-09-04T14:35:55.570009Z",
"structure_string": "P2 H4 N2 O4\n1.0\n3.996593 0.000000 0.000000\n0.000000 3.745195 4.379242\n0.000000 -3.745195 4.379242\nP H N O\n2 4 2 4\ndirect\n0.577986 0.750000 0.750000 P\n0.422013 0.250000 0.250000 P\n0.646418 0.104419 0.395580 H\n0.353581 0.604419 0.895580 H\n0.353581 0.895580 0.604419 H\n0.646418 0.395580 0.104419 H\n0.000000 0.749999 0.250000 N\n0.000000 0.250000 0.749999 N\n0.783179 0.601547 0.601547 O\n0.216821 0.398452 0.398452 O\n0.216821 0.101547 0.101547 O\n0.783179 0.898452 0.898452 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"P",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-P",
"density": 2.001180111324439,
"density_atomic": 0.09153516038244185,
"volume": 131.0971647382597,
"volume_molar": 6.579046494089237,
"formula_full": "P2 H4 N2 O4",
"formula_reduced": "PH2NO2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.397389291666667,
"spacegroup": 67
},
{
"id": "jvasp-98324",
"created_at": "2022-09-04T14:35:49.598147Z",
"updated_at": "2022-09-04T14:35:49.598173Z",
"structure_string": "P4 H32 N8 O14\n1.0\n5.677690 3.255584 -1.497860\n-5.677690 3.255584 1.497860\n0.000789 0.000000 13.618768\nP H N O\n4 32 8 14\ndirect\n0.264262 0.448927 0.651274 P\n0.448927 0.264262 0.848727 P\n0.735737 0.551072 0.348727 P\n0.551072 0.735737 0.151274 P\n0.036921 0.356450 0.358459 H\n0.356450 0.036921 0.141541 H\n0.006043 0.927603 0.618824 H\n0.927603 0.006042 0.881177 H\n0.993956 0.072396 0.381177 H\n0.072396 0.993956 0.118823 H\n0.131848 0.250659 0.474789 H\n0.643549 0.963078 0.858459 H\n0.250659 0.131848 0.025211 H\n0.727292 0.691495 0.623811 H\n0.691495 0.727292 0.876190 H\n0.272707 0.308504 0.376189 H\n0.308504 0.272706 0.123811 H\n0.749340 0.868150 0.974790 H\n0.963078 0.643549 0.641541 H\n0.868151 0.749340 0.525211 H\n0.421514 0.778163 0.449934 H\n0.536076 0.956436 0.612914 H\n0.956437 0.536076 0.887086 H\n0.463923 0.043562 0.387086 H\n0.043562 0.463923 0.112914 H\n0.504893 0.131412 0.673084 H\n0.131412 0.504893 0.826916 H\n0.778163 0.421514 0.050066 H\n0.495106 0.868587 0.326916 H\n0.868587 0.495106 0.173084 H\n0.778713 0.221746 0.650143 H\n0.221746 0.778712 0.849857 H\n0.221286 0.778253 0.349857 H\n0.778253 0.221286 0.150143 H\n0.578485 0.221836 0.550067 H\n0.221836 0.578484 0.949934 H\n0.107976 0.249012 0.395625 N\n0.750987 0.892023 0.895625 N\n0.249012 0.107976 0.104375 N\n0.892023 0.750987 0.604375 N\n0.401187 0.866881 0.378542 N\n0.133118 0.598812 0.878542 N\n0.598812 0.133117 0.621458 N\n0.866881 0.401187 0.121458 N\n0.446995 0.067453 0.808383 O\n0.067453 0.446995 0.691617 O\n0.323881 0.587635 0.083337 O\n0.587635 0.323880 0.416663 O\n0.676118 0.412363 0.916664 O\n0.412364 0.676118 0.583337 O\n0.774234 0.821963 0.104484 O\n0.225765 0.178036 0.895516 O\n0.178036 0.225765 0.604484 O\n0.537403 0.537403 0.250000 O\n0.462596 0.462596 0.750000 O\n0.932546 0.553003 0.308383 O\n0.821963 0.774234 0.395516 O\n0.553003 0.932546 0.191617 O\n",
"nsites": 58,
"nelements": 4,
"elements": [
"P",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-P",
"density": 1.6233443925237578,
"density_atomic": 0.11520012667690924,
"volume": 503.47166859171125,
"volume_molar": 5.227546994709235,
"formula_full": "P4 H32 N8 O14",
"formula_reduced": "P2H16N4O7",
"formula_anonymous": "A2B4C7D16",
"energy_above_hull": 3.714150293103448,
"spacegroup": 15
},
{
"id": "jvasp-95245",
"created_at": "2022-09-04T14:35:48.297532Z",
"updated_at": "2022-09-04T14:35:48.297559Z",
"structure_string": "P4 H36 N8 O16\n1.0\n10.102689 0.000000 -4.337388\n0.000000 6.685844 0.000000\n0.007068 0.000000 7.953184\nP H N O\n4 36 8 16\ndirect\n0.248278 0.605667 0.930565 P\n0.751722 0.105667 0.569434 P\n0.751722 0.394333 0.069434 P\n0.248278 0.894333 0.430566 P\n0.175471 0.103504 0.683635 H\n0.824530 0.603503 0.816364 H\n0.824530 0.896496 0.316365 H\n0.175471 0.396496 0.183635 H\n0.121113 0.974576 0.827641 H\n0.878888 0.474576 0.672358 H\n0.878888 0.025424 0.172358 H\n0.833111 0.720436 0.630891 H\n0.374353 0.222695 0.118110 H\n0.833111 0.779563 0.130892 H\n0.166889 0.279563 0.369108 H\n0.024507 0.159919 0.687274 H\n0.975493 0.659919 0.812725 H\n0.975493 0.840080 0.312725 H\n0.024507 0.340081 0.187274 H\n0.166889 0.220436 0.869108 H\n0.625647 0.722693 0.381890 H\n0.121113 0.525423 0.327642 H\n0.374354 0.277305 0.618110 H\n0.176375 0.633845 0.621092 H\n0.823626 0.133846 0.878907 H\n0.823626 0.366154 0.378907 H\n0.176374 0.866154 0.121093 H\n0.521171 0.334749 0.608089 H\n0.478829 0.834748 0.891911 H\n0.478829 0.665251 0.391911 H\n0.625647 0.777306 0.881889 H\n0.521171 0.165251 0.108089 H\n0.414654 0.525583 0.609338 H\n0.585346 0.025584 0.890661 H\n0.585346 0.474416 0.390661 H\n0.414654 0.974416 0.109338 H\n0.499986 0.381515 0.801582 H\n0.500014 0.881515 0.698417 H\n0.500014 0.618484 0.198417 H\n0.499986 0.118484 0.301583 H\n0.878209 0.886183 0.232364 N\n0.878209 0.613816 0.732364 N\n0.121791 0.386183 0.267636 N\n0.121791 0.113816 0.767635 N\n0.548736 0.615973 0.340969 N\n0.548736 0.884027 0.840968 N\n0.451265 0.384027 0.659031 N\n0.451265 0.115973 0.159031 N\n0.863527 0.239221 0.557372 O\n0.136473 0.739220 0.942627 O\n0.378188 0.775451 0.487901 O\n0.621812 0.275451 0.012099 O\n0.621812 0.224549 0.512098 O\n0.378188 0.724548 0.987901 O\n0.262693 0.087665 0.541636 O\n0.737308 0.587665 0.958363 O\n0.262693 0.412334 0.041636 O\n0.202631 0.969937 0.224353 O\n0.797370 0.469937 0.275647 O\n0.797370 0.030062 0.775647 O\n0.202631 0.530062 0.724352 O\n0.863527 0.260779 0.057372 O\n0.737308 0.912334 0.458363 O\n0.136473 0.760779 0.442628 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"P",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-P",
"density": 1.6321799266571664,
"density_atomic": 0.11909130361003603,
"volume": 537.4027998683072,
"volume_molar": 5.056742665039148,
"formula_full": "P4 H36 N8 O16",
"formula_reduced": "PH9(NO2)2",
"formula_anonymous": "AB2C4D9",
"energy_above_hull": 3.530119125,
"spacegroup": 14
},
{
"id": "jvasp-88347",
"created_at": "2022-09-04T14:35:45.797727Z",
"updated_at": "2022-09-04T14:35:45.797752Z",
"structure_string": "P6 H24 N6 O19\n1.0\n7.642362 4.412319 2.526053\n-7.642362 4.412319 2.526053\n-0.000000 -8.824641 2.526053\nP H N O\n6 24 6 19\ndirect\n0.220224 0.122643 0.866063 P\n0.122643 0.866063 0.220224 P\n0.866063 0.220225 0.122643 P\n0.779774 0.877356 0.133935 P\n0.877355 0.133936 0.779774 P\n0.133936 0.779774 0.877355 P\n0.634719 0.518132 0.217830 H\n0.481867 0.782169 0.365280 H\n0.782169 0.365280 0.481867 H\n0.365280 0.481867 0.782169 H\n0.352507 0.538699 0.153872 H\n0.153872 0.352506 0.538699 H\n0.217830 0.634719 0.518132 H\n0.846127 0.647492 0.461299 H\n0.647492 0.461299 0.846127 H\n0.538699 0.153872 0.352506 H\n0.518132 0.217830 0.634718 H\n0.461299 0.846127 0.647492 H\n0.774870 0.380080 0.801876 H\n0.801876 0.774870 0.380080 H\n0.619919 0.198123 0.225129 H\n0.225129 0.619919 0.198123 H\n0.198123 0.225129 0.619919 H\n0.354224 0.711525 0.125003 H\n0.125003 0.354224 0.711525 H\n0.711525 0.125003 0.354224 H\n0.645775 0.288473 0.874995 H\n0.380080 0.801876 0.774869 H\n0.874996 0.645775 0.288473 H\n0.288473 0.874995 0.645775 H\n0.211782 0.354890 0.663433 N\n0.663433 0.211782 0.354890 N\n0.354890 0.663433 0.211782 N\n0.645108 0.336566 0.788216 N\n0.336566 0.788216 0.645108 N\n0.788217 0.645108 0.336565 N\n0.953914 0.303117 0.768848 O\n0.966326 0.240719 0.014204 O\n0.014204 0.966326 0.240719 O\n0.759279 0.985794 0.033672 O\n0.033673 0.759279 0.985794 O\n0.985794 0.033673 0.759279 O\n0.303117 0.768848 0.953914 O\n0.768848 0.953914 0.303117 O\n0.363727 0.346288 0.038599 O\n0.046085 0.696881 0.231151 O\n0.231151 0.046085 0.696881 O\n0.961400 0.636272 0.653711 O\n0.653711 0.961400 0.636272 O\n0.636272 0.653711 0.961399 O\n0.038599 0.363727 0.346287 O\n0.346288 0.038599 0.363727 O\n0.240719 0.014204 0.966326 O\n0.696881 0.231151 0.046085 O\n0.499999 0.499999 0.499999 O\n",
"nsites": 55,
"nelements": 4,
"elements": [
"P",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-P",
"density": 1.9431527478081232,
"density_atomic": 0.10761538745186144,
"volume": 511.0793289166256,
"volume_molar": 5.5959848332041044,
"formula_full": "P6 H24 N6 O19",
"formula_reduced": "P6H24N6O19",
"formula_anonymous": "A6B6C19D24",
"energy_above_hull": 3.692689254545454,
"spacegroup": 148
},
{
"id": "jvasp-98438",
"created_at": "2022-09-04T14:35:43.944763Z",
"updated_at": "2022-09-04T14:35:43.944788Z",
"structure_string": "P4 H20 N8 O16\n1.0\n5.678166 0.000000 0.000000\n0.000000 7.426346 0.000000\n0.000000 0.000000 10.181809\nP H N O\n4 20 8 16\ndirect\n0.950107 0.688393 0.331797 P\n0.549894 0.311607 0.831797 P\n0.450107 0.811607 0.668203 P\n0.049894 0.188393 0.168203 P\n0.190527 0.647727 0.988230 H\n0.809474 0.147727 0.511770 H\n0.690527 0.852274 0.011770 H\n0.555042 0.468219 0.432877 H\n0.944959 0.531781 0.932877 H\n0.055042 0.031781 0.567123 H\n0.444959 0.968219 0.067123 H\n0.341790 0.398867 0.325891 H\n0.158211 0.601134 0.825891 H\n0.309474 0.352274 0.488230 H\n0.658211 0.898867 0.174109 H\n0.449303 0.094599 0.411057 H\n0.050698 0.905402 0.911057 H\n0.949303 0.405401 0.588943 H\n0.550698 0.594599 0.088943 H\n0.640318 0.199884 0.305275 H\n0.859683 0.800116 0.805275 H\n0.140318 0.300116 0.694725 H\n0.359682 0.699885 0.194725 H\n0.841790 0.101134 0.674109 H\n0.433065 0.366699 0.411702 N\n0.933066 0.133301 0.588298 N\n0.566935 0.866700 0.088298 N\n0.066935 0.633301 0.911702 N\n0.938078 0.798687 0.897161 N\n0.061923 0.298687 0.602839 N\n0.438077 0.701314 0.102839 N\n0.561923 0.201314 0.397161 N\n0.658521 0.448380 0.926759 O\n0.841480 0.551620 0.426759 O\n0.087132 0.124057 0.313056 O\n0.412869 0.875943 0.813057 O\n0.587132 0.375943 0.686944 O\n0.912869 0.624058 0.186944 O\n0.191402 0.367089 0.160237 O\n0.691402 0.132911 0.839764 O\n0.808599 0.867089 0.339763 O\n0.784344 0.208710 0.146462 O\n0.715657 0.791290 0.646462 O\n0.284344 0.291290 0.853538 O\n0.215657 0.708710 0.353538 O\n0.341479 0.948381 0.573241 O\n0.308598 0.632912 0.660237 O\n0.158521 0.051620 0.073241 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"P",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-P",
"density": 1.9805866070635478,
"density_atomic": 0.11179774070892176,
"volume": 429.3467801372973,
"volume_molar": 5.386639051749118,
"formula_full": "P4 H20 N8 O16",
"formula_reduced": "PH5(NO2)2",
"formula_anonymous": "AB2C4D5",
"energy_above_hull": 3.5807988333333327,
"spacegroup": 19
},
{
"id": "jvasp-33415",
"created_at": "2022-09-04T14:38:03.472914Z",
"updated_at": "2022-09-04T14:38:03.472931Z",
"structure_string": "P4 H24 N8 O8\n1.0\n6.895532 0.000000 -3.475957\n0.000000 8.203540 0.000000\n-0.093319 0.000000 7.046909\nP H N O\n4 24 8 8\ndirect\n0.866516 0.467925 0.852603 P\n0.133484 0.967925 0.647396 P\n0.133484 0.532075 0.147396 P\n0.866516 0.032075 0.352603 P\n0.347528 0.244154 0.229395 H\n0.652471 0.744154 0.270605 H\n0.652471 0.755846 0.770605 H\n0.347528 0.255846 0.729395 H\n0.478531 0.063978 0.291380 H\n0.521468 0.563978 0.208620 H\n0.478531 0.436022 0.791380 H\n0.240928 0.070300 0.101120 H\n0.759071 0.570300 0.398879 H\n0.759071 0.929700 0.898879 H\n0.240928 0.429700 0.601120 H\n0.521468 0.936022 0.708620 H\n0.697864 0.592759 0.130947 H\n0.697864 0.907241 0.630947 H\n0.302135 0.407241 0.869053 H\n0.795961 0.279022 0.457952 H\n0.204039 0.779022 0.042048 H\n0.204039 0.720978 0.542048 H\n0.795961 0.220978 0.957952 H\n0.930131 0.308034 0.329209 H\n0.069869 0.808034 0.170790 H\n0.069869 0.691966 0.670790 H\n0.930130 0.191966 0.829209 H\n0.302135 0.092759 0.369053 H\n0.342293 0.118035 0.249585 N\n0.657706 0.618035 0.250414 N\n0.657706 0.881964 0.750414 N\n0.342293 0.381964 0.749585 N\n0.171170 0.767072 0.656938 N\n0.171170 0.732928 0.156938 N\n0.828829 0.267072 0.843062 N\n0.828829 0.232928 0.343062 N\n0.304670 0.450568 0.129843 O\n0.902487 0.516256 0.665682 O\n0.097512 0.016256 0.834318 O\n0.097512 0.483744 0.334318 O\n0.902487 0.983744 0.165682 O\n0.695329 0.549432 0.870157 O\n0.304670 0.049432 0.629843 O\n0.695330 0.950568 0.370157 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"P",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-P",
"density": 1.6276923199702302,
"density_atomic": 0.11112038791511651,
"volume": 395.96694023072575,
"volume_molar": 5.419474205399857,
"formula_full": "P4 H24 N8 O8",
"formula_reduced": "PH6(NO)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.614726272727272,
"spacegroup": 14
}
]
}