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=-formula_reduced&page=1535",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1533",
"results": [
{
"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-98599",
"created_at": "2022-09-04T14:35:52.501528Z",
"updated_at": "2022-09-04T14:35:52.501549Z",
"structure_string": "P2 H16 I2 N8\n1.0\n8.489867 -0.006789 0.000004\n-0.006789 8.489861 -0.000006\n0.000007 -0.000006 4.630399\nP H I N\n2 16 2 8\ndirect\n0.750000 0.250000 0.498707 P\n0.250001 0.749999 0.501283 P\n0.167991 0.975958 0.261528 H\n0.832315 0.476079 0.258966 H\n0.667685 0.023921 0.258968 H\n0.332010 0.524042 0.261528 H\n0.167682 0.523923 0.741033 H\n0.332319 0.976075 0.741031 H\n0.667990 0.475958 0.738473 H\n0.832011 0.024041 0.738472 H\n0.476076 0.832319 0.741031 H\n0.023924 0.667680 0.741034 H\n0.524043 0.332010 0.738473 H\n0.024041 0.832009 0.261528 H\n0.523921 0.167684 0.258969 H\n0.976080 0.332315 0.258965 H\n0.475958 0.667990 0.261528 H\n0.975960 0.167989 0.738471 H\n0.250000 0.250000 0.000001 I\n0.750000 0.750000 -0.000001 I\n0.128749 0.628748 0.659693 N\n0.628923 0.371077 0.657066 N\n0.871079 0.128922 0.657064 N\n0.371251 0.871251 0.659691 N\n0.871253 0.371253 0.340301 N\n0.371079 0.628920 0.342936 N\n0.128920 0.871079 0.342939 N\n0.628747 0.128747 0.340302 N\n",
"nsites": 28,
"nelements": 4,
"elements": [
"P",
"H",
"I",
"N"
],
"chemical_system": "H-I-N-P",
"density": 2.2087722508917143,
"density_atomic": 0.08389545366204908,
"volume": 333.7487167396542,
"volume_molar": 7.1781491095555925,
"formula_full": "P2 H16 I2 N8",
"formula_reduced": "PH8IN4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 3.844826055357143,
"spacegroup": 125
},
{
"id": "jvasp-88338",
"created_at": "2022-09-04T14:35:42.196510Z",
"updated_at": "2022-09-04T14:35:42.196536Z",
"structure_string": "P4 H32 C8 N4 O16\n1.0\n-5.287343 5.287343 5.063998\n5.287343 -5.287343 5.063998\n5.287343 5.287343 -5.063998\nP H C N O\n4 32 8 4 16\ndirect\n0.946682 0.311270 0.745488 P\n0.565782 0.201194 0.254511 P\n0.798806 0.053318 0.364588 P\n0.688730 0.434218 0.635411 P\n0.760981 0.642234 0.159701 H\n0.482533 0.601281 0.840299 H\n0.486117 0.502861 0.304267 H\n0.198594 0.181849 0.695733 H\n0.818151 0.513883 0.016745 H\n0.497139 0.801405 0.983255 H\n0.130791 0.035702 0.879276 H\n0.398718 0.239019 0.881252 H\n0.964298 0.843575 0.095089 H\n0.089716 0.415632 0.170617 H\n0.245016 0.919098 0.829383 H\n0.080902 0.910284 0.325917 H\n0.584368 0.754984 0.674083 H\n0.156425 0.251514 0.120723 H\n0.357766 0.517467 0.118747 H\n0.748486 0.869209 0.904911 H\n0.251777 0.768370 0.265787 H\n0.548101 0.793941 0.394190 H\n0.399750 0.153910 0.605809 H\n0.846089 0.451899 0.245840 H\n0.206059 0.600249 0.754160 H\n0.316819 0.361038 0.446921 H\n0.502583 0.985989 0.734212 H\n0.130103 0.683181 0.044220 H\n0.914117 0.869897 0.553078 H\n0.086198 0.267119 0.348318 H\n0.918800 0.737880 0.651681 H\n0.262120 0.913802 0.180919 H\n0.732881 0.081200 0.819080 H\n0.231630 0.497417 0.483406 H\n0.014011 0.748223 0.516593 H\n0.638961 0.085883 0.955780 H\n0.612742 0.832384 0.810852 C\n0.021532 0.801889 0.189147 C\n0.198111 0.387258 0.219642 C\n0.167616 0.978468 0.780358 C\n0.873421 0.623790 0.152535 C\n0.279114 0.126579 0.750368 C\n0.376211 0.528745 0.249631 C\n0.471255 0.720885 0.847465 C\n0.210754 0.380046 0.385837 N\n0.994211 0.824917 0.614162 N\n0.175083 0.789246 0.169294 N\n0.619953 0.005789 0.830706 N\n0.336474 0.053450 0.628487 O\n0.424963 0.707988 0.371513 O\n0.827961 0.632686 0.757237 O\n0.875448 0.070722 0.242762 O\n0.367314 0.124552 0.195274 O\n0.929278 0.172039 0.804725 O\n0.495868 0.356723 0.602636 O\n0.755561 0.308755 0.696640 O\n0.643277 0.245914 0.139145 O\n0.106768 0.504131 0.860854 O\n0.612114 0.058921 0.303359 O\n0.691245 0.387886 0.446806 O\n0.941079 0.244439 0.553193 O\n0.946550 0.575037 0.283023 O\n0.754087 0.893232 0.397363 O\n0.292012 0.663525 0.716976 O\n",
"nsites": 64,
"nelements": 5,
"elements": [
"P",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-P",
"density": 1.6546024486005346,
"density_atomic": 0.11301900707877015,
"volume": 566.2764313209221,
"volume_molar": 5.3284318413829155,
"formula_full": "P4 H32 C8 N4 O16",
"formula_reduced": "PH8C2NO4",
"formula_anonymous": "ABC2D4E8",
"energy_above_hull": 3.879463296875,
"spacegroup": 82
},
{
"id": "jvasp-23958",
"created_at": "2022-09-04T14:37:45.770533Z",
"updated_at": "2022-09-04T14:37:45.770561Z",
"structure_string": "P2 H12 N2 O8\n1.0\n6.082346 -0.059194 -2.215077\n-3.084598 5.311953 -2.042892\n-0.034373 0.059194 6.473045\nP H N O\n2 12 2 8\ndirect\n0.500000 0.750000 0.250000 P\n0.000000 0.000000 0.000000 P\n0.101715 0.726715 0.125000 H\n0.898286 0.023285 0.625000 H\n0.601715 0.874999 0.976714 H\n0.132865 0.595000 0.691946 H\n0.367135 0.212135 0.809081 H\n0.096946 0.537864 0.404999 H\n0.398285 0.375000 0.273285 H\n0.632866 0.441947 0.845000 H\n0.903055 0.308053 0.440918 H\n0.596947 0.154999 0.787864 H\n0.403054 0.190918 0.558052 H\n0.867136 0.559082 0.462135 H\n0.500001 0.250000 0.749999 N\n-0.000000 0.499999 0.499999 N\n0.936285 0.735594 0.973573 O\n0.436285 0.723573 0.985594 O\n0.063716 0.037289 0.799310 O\n0.762022 0.026426 0.962709 O\n0.237979 0.200689 0.264405 O\n0.262021 0.712710 0.276425 O\n0.737979 0.014405 0.450688 O\n0.563716 0.549311 0.287289 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"P",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-P",
"density": 1.8305290168253203,
"density_atomic": 0.11500424566046337,
"volume": 208.68794766809916,
"volume_molar": 5.236450815720029,
"formula_full": "P2 H12 N2 O8",
"formula_reduced": "PH6NO4",
"formula_anonymous": "ABC4D6",
"energy_above_hull": 3.2763627291666664,
"spacegroup": 122
},
{
"id": "jvasp-33719",
"created_at": "2022-09-04T14:38:00.979688Z",
"updated_at": "2022-09-04T14:38:00.979732Z",
"structure_string": "P2 H12 N2 O4\n1.0\n3.711080 5.786280 0.000000\n-3.711080 5.786280 0.000000\n0.000000 -0.000000 3.891292\nP H N O\n2 12 2 4\ndirect\n0.250000 0.250000 0.065846 P\n0.750000 0.750000 0.934153 P\n0.780274 0.115242 0.345581 H\n0.884758 0.219726 0.654418 H\n0.615242 0.280274 0.654418 H\n0.719726 0.384758 0.345581 H\n0.400395 0.099605 0.291298 H\n0.900395 0.599605 0.708702 H\n0.099605 0.400395 0.291298 H\n0.280274 0.615242 0.654418 H\n0.384758 0.719726 0.345581 H\n0.219726 0.884758 0.654418 H\n0.115242 0.780274 0.345581 H\n0.599605 0.900395 0.708702 H\n0.250000 0.750000 0.500000 N\n0.750000 0.250000 0.500000 N\n0.363505 0.363505 0.867960 O\n0.136494 0.136494 0.867960 O\n0.863505 0.863505 0.132040 O\n0.636494 0.636494 0.132040 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"P",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-P",
"density": 1.6499635400610004,
"density_atomic": 0.11967582134461695,
"volume": 167.1181344342585,
"volume_molar": 5.032044645558538,
"formula_full": "P2 H12 N2 O4",
"formula_reduced": "PH6NO2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.321040575,
"spacegroup": 67
},
{
"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
},
{
"id": "jvasp-33425",
"created_at": "2022-09-04T14:38:03.505337Z",
"updated_at": "2022-09-04T14:38:03.505354Z",
"structure_string": "P4 H24 N12 O4\n1.0\n8.240381 0.000000 -0.696598\n0.000000 8.621192 0.000000\n-0.029144 0.000000 5.376747\nP H N O\n4 24 12 4\ndirect\n0.250374 0.470820 0.670122 P\n0.749626 0.970820 0.829879 P\n0.749626 0.529180 0.329879 P\n0.250374 0.029180 0.170121 P\n0.230470 0.946864 0.580049 H\n0.769531 0.446864 0.919951 H\n0.769530 0.053136 0.419951 H\n0.230470 0.553136 0.080049 H\n0.251540 0.793412 0.383490 H\n0.748460 0.293412 0.116510 H\n0.251540 0.706588 0.883490 H\n0.519799 0.102490 0.177873 H\n0.480201 0.602490 0.322127 H\n0.480201 0.897510 0.822128 H\n0.519799 0.397510 0.677873 H\n0.748460 0.206588 0.616511 H\n0.585556 0.714363 0.127902 H\n0.414444 0.214363 0.372098 H\n0.095577 0.259892 0.548879 H\n0.904424 0.759891 0.951122 H\n0.904423 0.740108 0.451122 H\n0.985010 0.394501 0.686772 H\n0.095577 0.240108 0.048878 H\n0.014990 0.605498 0.313228 H\n0.985010 0.105499 0.186772 H\n0.414444 0.285637 0.872098 H\n0.585557 0.785637 0.627902 H\n0.014990 0.894501 0.813228 H\n0.221398 0.908407 0.398136 N\n0.408531 0.148503 0.211123 N\n0.778602 0.408407 0.101864 N\n0.778603 0.091593 0.601864 N\n0.221398 0.591592 0.898136 N\n0.591469 0.648503 0.288877 N\n0.901597 0.846662 0.818804 N\n0.408531 0.351497 0.711123 N\n0.098403 0.153338 0.181196 N\n0.901597 0.653337 0.318804 N\n0.098403 0.346662 0.681196 N\n0.591469 0.851497 0.788877 N\n0.735377 0.437092 0.567271 O\n0.264623 0.562908 0.432729 O\n0.735377 0.062908 0.067271 O\n0.264623 0.937092 0.932729 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"P",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-P",
"density": 1.653424890035878,
"density_atomic": 0.11524378388219647,
"volume": 381.7993345738917,
"volume_molar": 5.225566670177979,
"formula_full": "P4 H24 N12 O4",
"formula_reduced": "PH6N3O",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 3.9371553409090914,
"spacegroup": 14
},
{
"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-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-12599",
"created_at": "2022-09-04T14:37:32.448535Z",
"updated_at": "2022-09-04T14:37:32.448558Z",
"structure_string": "P2 H8 I2\n1.0\n6.291127 0.000000 0.000000\n0.000000 6.291127 -0.000000\n0.000000 0.000000 4.608252\nP H I\n2 8 2\ndirect\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 P\n0.000000 0.182594 0.180216 H\n0.682595 0.500000 0.180216 H\n0.317406 0.500000 0.180216 H\n0.000000 0.817406 0.180216 H\n0.500000 0.682595 0.819784 H\n0.500000 0.317406 0.819784 H\n0.182594 0.000000 0.819784 H\n0.817406 0.000000 0.819784 H\n0.500000 0.000000 0.394488 I\n0.000000 0.500000 0.605511 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"P",
"H",
"I"
],
"chemical_system": "H-I-P",
"density": 2.9482181759437625,
"density_atomic": 0.06579427730263636,
"volume": 182.38668303632485,
"volume_molar": 9.152985649952106,
"formula_full": "P2 H8 I2",
"formula_reduced": "PH4I",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.377436962500001,
"spacegroup": 129
},
{
"id": "jvasp-121011",
"created_at": "2022-09-04T14:38:51.630060Z",
"updated_at": "2022-09-04T14:38:51.630085Z",
"structure_string": "P1 H4 F1\n1.0\n3.743882 -0.000000 0.000000\n-0.000000 3.743882 -0.000000\n0.000000 0.000000 3.743882\nP H F\n1 4 1\ndirect\n0.000000 0.000000 0.000000 P\n0.219983 0.219983 0.780016 H\n0.219983 0.780016 0.219983 H\n0.780016 0.219983 0.219983 H\n0.780016 0.780016 0.780016 H\n0.499999 0.499999 0.499999 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"P",
"H",
"F"
],
"chemical_system": "F-H-P",
"density": 1.7088658388060325,
"density_atomic": 0.11433647372878473,
"volume": 52.47669273264873,
"volume_molar": 5.267033837587994,
"formula_full": "P1 H4 F1",
"formula_reduced": "PH4F",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.345542630416667,
"spacegroup": 215
},
{
"id": "jvasp-24592",
"created_at": "2022-09-04T14:37:16.221820Z",
"updated_at": "2022-09-04T14:37:16.221840Z",
"structure_string": "P2 H8 Br2\n1.0\n5.972855 0.000000 0.000000\n0.000000 5.972855 -0.000000\n0.000000 -0.000000 4.345815\nP H Br\n2 8 2\ndirect\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 P\n0.500000 0.691819 0.808833 H\n0.808183 0.000000 0.808833 H\n0.000000 0.191818 0.191166 H\n0.691819 0.500000 0.191166 H\n0.308182 0.500000 0.191166 H\n0.000000 0.808183 0.191166 H\n0.500000 0.308182 0.808833 H\n0.191818 0.000000 0.808833 H\n0.500000 0.000000 0.388788 Br\n0.000000 0.500000 0.611211 Br\n",
"nsites": 12,
"nelements": 3,
"elements": [
"P",
"H",
"Br"
],
"chemical_system": "Br-H-P",
"density": 2.4615005273792714,
"density_atomic": 0.0774009102316946,
"volume": 155.0369364401372,
"volume_molar": 7.780452118680663,
"formula_full": "P2 H8 Br2",
"formula_reduced": "PH4Br",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.4072032675000004,
"spacegroup": 129
}
]
}