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=-structure_string&page=1578",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=1576",
"results": [
{
"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-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
},
{
"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-25551",
"created_at": "2022-09-04T14:38:09.642023Z",
"updated_at": "2022-09-04T14:38:09.642051Z",
"structure_string": "P2 H4 F6\n1.0\n4.823485 -0.008004 0.000000\n-1.599227 4.550664 0.000000\n0.000000 0.000000 6.028672\nP H F\n2 4 6\ndirect\n0.687076 0.312924 0.251107 P\n0.312924 0.687075 0.751106 P\n0.837379 0.612705 0.274813 H\n0.162621 0.387294 0.774813 H\n0.387295 0.162621 0.274813 H\n0.612705 0.837378 0.774813 H\n0.634122 0.365879 0.981077 F\n0.740471 0.259530 0.518253 F\n0.118495 0.881503 0.682936 F\n0.881505 0.118497 0.182936 F\n0.259529 0.740470 0.018253 F\n0.365879 0.634121 0.481077 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"P",
"H",
"F"
],
"chemical_system": "F-H-P",
"density": 2.259667152806693,
"density_atomic": 0.0907354966598821,
"volume": 132.25254108633422,
"volume_molar": 6.6370284857465665,
"formula_full": "P2 H4 F6",
"formula_reduced": "PH2F3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.1534927245833333,
"spacegroup": 36
},
{
"id": "jvasp-27815",
"created_at": "2022-09-04T14:37:14.977687Z",
"updated_at": "2022-09-04T14:37:14.977714Z",
"structure_string": "P2 H4 F6\n1.0\n4.822531 -0.006840 0.000000\n-1.597814 4.550147 -0.000000\n0.000000 0.000000 6.028720\nP H F\n2 4 6\ndirect\n0.687068 0.312933 0.251080 P\n0.312933 0.687068 0.751080 P\n0.837212 0.612745 0.274638 H\n0.162789 0.387256 0.774638 H\n0.387255 0.162788 0.274638 H\n0.612746 0.837212 0.774638 H\n0.634458 0.365542 0.980938 F\n0.740129 0.259871 0.518346 F\n0.118339 0.881663 0.683360 F\n0.881662 0.118338 0.183360 F\n0.259872 0.740130 0.018346 F\n0.365543 0.634459 0.480938 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"P",
"H",
"F"
],
"chemical_system": "F-H-P",
"density": 2.2601605344384015,
"density_atomic": 0.09075530808535702,
"volume": 132.2236710244406,
"volume_molar": 6.635579655942621,
"formula_full": "P2 H4 F6",
"formula_reduced": "PH2F3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.1534927245833333,
"spacegroup": 36
},
{
"id": "jvasp-120735",
"created_at": "2022-09-04T14:38:53.202949Z",
"updated_at": "2022-09-04T14:38:53.202976Z",
"structure_string": "P2 H2 Pb2 O8\n1.0\n6.641227 -0.000000 0.000000\n0.000000 4.662531 0.512688\n-0.000000 -0.052660 5.796091\nP H Pb O\n2 2 2 8\ndirect\n0.792454 0.488581 0.247404 P\n0.207547 0.488581 0.747404 P\n0.475996 0.514084 0.984268 H\n0.524004 0.514084 0.484268 H\n0.206580 -0.000431 0.269493 Pb\n0.793420 -0.000431 0.769493 Pb\n0.656801 0.359526 0.067973 O\n0.650862 0.632992 0.426835 O\n0.349138 0.632992 0.926835 O\n0.343199 0.359526 0.567973 O\n0.918393 0.254929 0.387098 O\n0.922966 0.734017 0.131728 O\n0.077035 0.734017 0.631728 O\n0.081607 0.254929 0.887098 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"P",
"H",
"Pb",
"O"
],
"chemical_system": "H-O-P-Pb",
"density": 5.604536915918244,
"density_atomic": 0.07792721004997161,
"volume": 179.65483418464947,
"volume_molar": 7.727904997674422,
"formula_full": "P2 H2 Pb2 O8",
"formula_reduced": "PHPbO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.2500243314285715,
"spacegroup": 7
},
{
"id": "jvasp-8822",
"created_at": "2022-09-04T14:36:46.840965Z",
"updated_at": "2022-09-04T14:36:46.840992Z",
"structure_string": "P2 H2 N4\n1.0\n4.721248 0.000219 -0.002705\n-0.000247 4.726917 -0.003627\n-2.356818 -2.360615 3.528313\nP H N\n2 2 4\ndirect\n0.989800 0.989656 0.979671 P\n0.260202 0.759979 0.520322 P\n0.491693 0.374792 0.248659 H\n0.758278 0.876152 0.251361 H\n0.125063 0.724746 0.750065 N\n0.274727 0.374814 0.249749 N\n0.624997 0.024801 0.749928 N\n0.975236 0.875060 0.250244 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"P",
"H",
"N"
],
"chemical_system": "H-N-P",
"density": 2.5326916971037705,
"density_atomic": 0.10168980732402479,
"volume": 78.67061813293411,
"volume_molar": 5.92206920090922,
"formula_full": "P2 H2 N4",
"formula_reduced": "PHN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.8634505,
"spacegroup": 24
},
{
"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-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-87072",
"created_at": "2022-09-04T14:35:58.749083Z",
"updated_at": "2022-09-04T14:35:58.749110Z",
"structure_string": "P2 F10\n1.0\n5.477083 0.000000 -0.000000\n-2.738542 4.743294 -0.000000\n0.000000 -0.000000 6.037741\nP F\n2 10\ndirect\n0.666667 0.333333 0.750000 P\n0.333333 0.666666 0.250000 P\n0.830669 0.661340 0.750000 F\n0.169330 0.830669 0.250000 F\n0.333333 0.666666 0.517118 F\n0.666667 0.333333 0.017118 F\n0.666667 0.333333 0.482882 F\n0.333333 0.666666 0.982882 F\n0.169330 0.338660 0.250000 F\n0.830669 0.169330 0.750000 F\n0.338660 0.169330 0.750000 F\n0.661340 0.830669 0.250000 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"P",
"F"
],
"chemical_system": "F-P",
"density": 2.667029508972019,
"density_atomic": 0.07650281230980178,
"volume": 156.85697868733803,
"volume_molar": 7.871790040362247,
"formula_full": "P2 F10",
"formula_reduced": "PF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-115904",
"created_at": "2022-09-04T14:38:40.694762Z",
"updated_at": "2022-09-04T14:38:40.694788Z",
"structure_string": "P2 Cl2\n1.0\n5.134693 0.512104 1.041196\n-1.466403 -7.491347 0.006917\n-1.744000 -1.332978 -2.783842\nP Cl\n2 2\ndirect\n0.038629 0.261203 0.071319 P\n0.651906 0.281103 0.165531 P\n0.089419 0.953521 0.429185 Cl\n0.601123 0.588786 0.807573 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"P",
"Cl"
],
"chemical_system": "Cl-P",
"density": 2.360324018910397,
"density_atomic": 0.04279661708032506,
"volume": 93.4653314417911,
"volume_molar": 14.07153455306299,
"formula_full": "P2 Cl2",
"formula_reduced": "PCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.8340897837499999,
"spacegroup": 11
}
]
}