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=density&page=120",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=118",
"results": [
{
"id": "jvasp-112137",
"created_at": "2022-09-04T14:38:43.468334Z",
"updated_at": "2022-09-04T14:38:43.468359Z",
"structure_string": "Zn1 H18 C11 O4\n1.0\n4.027538 0.146445 0.456503\n1.492012 4.192500 0.182287\n-0.127115 0.584571 16.412735\nZn H C O\n1 18 11 4\ndirect\n0.692445 0.942495 0.159362 Zn\n0.826155 0.803128 0.497310 H\n0.894050 0.314869 0.418273 H\n0.082329 0.161730 0.898651 H\n0.722266 0.295600 0.733407 H\n0.187701 0.150291 0.737689 H\n0.806985 0.301918 0.576002 H\n0.272660 0.157996 0.579636 H\n0.291304 0.661611 0.501428 H\n0.619724 0.313041 0.890344 H\n0.578667 0.836735 0.955720 H\n0.031314 0.656378 0.970639 H\n0.665264 0.794744 0.806690 H\n0.128950 0.642877 0.813008 H\n0.746417 0.792193 0.653171 H\n0.211717 0.647207 0.657039 H\n-0.085775 0.821635 0.340039 H\n0.381172 0.676444 0.346029 H\n0.359731 0.173510 0.422663 H\n0.700806 0.465068 0.047911 C\n0.791880 0.600408 0.964898 C\n0.849835 0.387125 0.891806 C\n0.899270 0.567667 0.811352 C\n0.949423 0.374478 0.734669 C\n0.119133 0.395077 0.421122 C\n0.033261 0.381720 0.577674 C\n0.066392 0.580159 0.499372 C\n0.152462 0.601187 0.343850 C\n0.217362 0.417988 0.266017 C\n0.984979 0.567800 0.655563 C\n0.817971 0.157142 0.058875 O\n0.022737 0.520693 0.207237 O\n0.483151 0.146135 0.263178 O\n0.511857 0.659578 0.102465 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.6963753283509073,
"density_atomic": 0.12419674155237982,
"volume": 273.7591950885486,
"volume_molar": 4.848871785786883,
"formula_full": "Zn1 H18 C11 O4",
"formula_reduced": "ZnH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.575701011764706,
"spacegroup": 1
},
{
"id": "jvasp-101833",
"created_at": "2022-09-04T14:36:39.661949Z",
"updated_at": "2022-09-04T14:36:39.661960Z",
"structure_string": "H8 C4 O4\n1.0\n3.823251 0.000329 -0.141544\n-0.093976 4.567683 -0.050676\n0.064895 0.001082 6.728326\nH C O\n8 4 4\ndirect\n0.399239 0.087801 0.831233 H\n0.399240 0.587801 0.831234 H\n0.811125 0.097302 0.968489 H\n0.811128 0.597302 0.968489 H\n0.899237 0.087792 0.331230 H\n0.899238 0.587792 0.331230 H\n0.311120 0.097293 0.468489 H\n0.311121 0.597292 0.468489 H\n0.686405 0.092587 0.818532 C\n0.686406 0.592587 0.818532 C\n0.186405 0.092578 0.318531 C\n0.186403 0.592578 0.318532 C\n0.794692 0.842627 0.710109 O\n0.294695 0.842619 0.210109 O\n0.794692 0.342627 0.710109 O\n0.294695 0.342618 0.210110 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.6967343249758453,
"density_atomic": 0.13612175776922836,
"volume": 117.5418262459211,
"volume_molar": 4.4240838927524955,
"formula_full": "H8 C4 O4",
"formula_reduced": "H2CO",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.284635875,
"spacegroup": 38
},
{
"id": "jvasp-112061",
"created_at": "2022-09-04T14:38:43.672595Z",
"updated_at": "2022-09-04T14:38:43.672612Z",
"structure_string": "Ti1 H8 C5 O4\n1.0\n4.837181 0.176794 0.537790\n0.602942 6.210730 4.091691\n-0.211568 0.321082 6.074237\nTi H C O\n1 8 5 4\ndirect\n0.635449 0.564601 0.075848 Ti\n0.127513 0.244181 0.901857 H\n0.514658 0.980213 -0.135267 H\n0.019931 0.165402 0.322849 H\n0.458941 0.324425 0.751158 H\n0.686947 0.113207 0.470587 H\n0.860048 0.906340 0.009008 H\n0.561710 0.854834 0.222763 H\n0.736022 0.178950 0.137752 H\n0.650083 0.860433 0.047859 C\n0.793822 0.214151 0.279316 C\n0.119506 0.453080 0.467867 C\n0.184636 0.569196 0.772259 C\n0.234590 0.380235 0.738470 C\n0.296954 0.505643 0.276527 O\n0.394067 0.656074 0.759955 O\n0.866695 0.459804 0.437146 O\n-0.059086 0.632077 0.814907 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Ti",
"density": 1.6967545065159342,
"density_atomic": 0.10219137964466597,
"volume": 176.14010166599738,
"volume_molar": 5.893002698407481,
"formula_full": "Ti1 H8 C5 O4",
"formula_reduced": "TiH8C5O4",
"formula_anonymous": "AB4C5D8",
"energy_above_hull": 4.449906796296297,
"spacegroup": 1
},
{
"id": "jvasp-90600",
"created_at": "2022-09-04T14:36:12.644138Z",
"updated_at": "2022-09-04T14:36:12.644149Z",
"structure_string": "Ca6 Mg2\n1.0\n5.199041 0.000000 0.000000\n0.000000 5.199041 0.000000\n-0.000000 0.000000 10.466397\nCa Mg\n6 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.750000 Ca\n0.500000 0.000000 0.750000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.250000 Ca\n0.000000 0.500000 0.250000 Ca\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.6967601283874854,
"density_atomic": 0.028277844270781654,
"volume": 282.90699684862733,
"volume_molar": 21.29632196264138,
"formula_full": "Ca6 Mg2",
"formula_reduced": "Ca3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0046299999999999,
"spacegroup": 139
},
{
"id": "jvasp-112141",
"created_at": "2022-09-04T14:38:45.039763Z",
"updated_at": "2022-09-04T14:38:45.039788Z",
"structure_string": "Zn1 H20 C12 O4\n1.0\n4.177539 -0.142364 -0.333249\n-1.935365 4.531965 -0.312066\n-0.052480 0.039825 15.403847\nZn H C O\n1 20 12 4\ndirect\n0.394622 0.219300 0.145787 Zn\n0.104875 0.217511 0.491762 H\n0.890560 0.343765 0.348835 H\n0.308537 0.583340 0.969756 H\n0.545715 0.437687 0.776155 H\n0.122597 0.288049 0.810551 H\n0.330134 0.083371 0.636083 H\n0.899932 0.938186 0.666361 H\n0.109385 0.730657 0.494669 H\n0.677910 0.582609 0.524168 H\n0.668164 0.788084 0.912705 H\n0.460917 0.216546 0.379407 H\n0.800447 0.310006 0.910284 H\n0.379675 0.125306 0.944362 H\n0.544802 0.922975 0.772606 H\n0.115395 0.778061 0.803685 H\n0.320869 0.568888 0.631800 H\n0.889778 0.423470 0.661518 H\n0.882581 0.837982 0.363565 H\n0.453956 0.702758 0.392918 H\n0.674830 0.071978 0.521723 H\n0.811717 0.711147 0.041133 C\n0.571265 0.606984 0.955120 C\n0.538185 0.311188 0.908582 C\n0.371459 0.261405 0.813288 C\n0.298367 0.953945 0.767907 C\n0.146298 0.907163 0.671541 C\n0.705819 0.184905 0.388104 C\n0.925115 0.553222 0.529619 C\n0.856697 0.245845 0.485174 C\n0.634351 0.866190 0.353996 C\n0.499628 0.756525 0.258061 C\n0.074442 0.599853 0.626246 C\n0.027917 0.989399 0.050614 O\n0.353010 0.470165 0.242492 O\n0.555085 0.936621 0.199868 O\n0.800701 0.531828 0.097761 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.6969944562111239,
"density_atomic": 0.12874734197578017,
"volume": 287.3845737876313,
"volume_molar": 4.677487447572222,
"formula_full": "Zn1 H20 C12 O4",
"formula_reduced": "ZnH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.606783091891892,
"spacegroup": 1
},
{
"id": "jvasp-104098",
"created_at": "2022-09-04T14:37:03.137732Z",
"updated_at": "2022-09-04T14:37:03.137762Z",
"structure_string": "H6 C14 N2 O2\n1.0\n3.625922 0.040292 0.010134\n0.261226 5.426356 0.006026\n-0.006226 0.000630 11.653166\nH C N O\n6 14 2 2\ndirect\n0.558524 0.615400 0.764185 H\n0.633401 0.522014 0.977444 H\n0.190642 0.815992 0.900975 H\n0.338947 0.643533 0.477418 H\n0.414076 0.550209 0.264151 H\n0.781792 0.349577 0.400971 H\n0.915961 0.177294 0.371403 C\n0.954609 0.122924 0.255304 C\n0.953404 0.118606 0.071704 C\n0.132585 0.898557 0.221063 C\n0.276775 0.719985 0.296084 C\n0.234900 0.774256 0.412419 C\n0.057490 0.999549 0.449783 C\n0.019111 0.046979 0.571697 C\n0.017935 0.042673 0.755304 C\n0.056494 0.988275 0.871408 C\n0.914940 0.166014 0.949795 C\n0.737531 0.391309 0.912440 C\n0.695772 0.445613 0.796106 C\n0.839980 0.267048 0.721074 C\n0.129515 0.908521 0.658105 N\n0.843046 0.257078 0.158120 N\n0.838260 0.272003 0.603029 O\n0.134298 0.893594 0.103022 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.6971293860334018,
"density_atomic": 0.1047302960287113,
"volume": 229.16005119875263,
"volume_molar": 5.750142020365397,
"formula_full": "H6 C14 N2 O2",
"formula_reduced": "H3C7NO",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 5.842256395833335,
"spacegroup": 4
},
{
"id": "jvasp-3060",
"created_at": "2022-09-04T14:37:16.226042Z",
"updated_at": "2022-09-04T14:37:16.226074Z",
"structure_string": "K4 Be1 P2\n1.0\n5.283641 0.010900 7.231143\n2.368218 4.723191 7.231143\n0.017619 0.010900 8.955779\nK Be P\n4 1 2\ndirect\n0.623434 0.623434 0.623434 K\n0.376566 0.376566 0.376566 K\n0.791365 0.791365 0.791364 K\n0.208635 0.208635 0.208635 K\n0.000000 0.000000 0.000000 Be\n0.920606 0.920606 0.920605 P\n0.079394 0.079394 0.079394 P\n",
"nsites": 7,
"nelements": 3,
"elements": [
"K",
"Be",
"P"
],
"chemical_system": "Be-K-P",
"density": 1.6972457156093748,
"density_atomic": 0.031469739934035124,
"volume": 222.4359023834629,
"volume_molar": 19.136290203297616,
"formula_full": "K4 Be1 P2",
"formula_reduced": "K4BeP2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.5937570142857143,
"spacegroup": 166
},
{
"id": "jvasp-104106",
"created_at": "2022-09-04T14:36:44.695048Z",
"updated_at": "2022-09-04T14:36:44.695078Z",
"structure_string": "H6 C14 N2 O2\n1.0\n3.625778 0.041647 0.032401\n0.259193 5.425963 0.022036\n-0.020198 -0.005143 11.653192\nH C N O\n6 14 2 2\ndirect\n0.441697 0.384571 0.764101 H\n0.366337 0.477875 0.977367 H\n0.809244 0.183997 0.900983 H\n0.660697 0.356437 0.477485 H\n0.586104 0.449896 0.264246 H\n0.218079 0.650381 0.400965 H\n0.083951 0.822682 0.371407 C\n0.045486 0.877111 0.255300 C\n0.867512 0.101502 0.221090 C\n0.046624 0.881400 0.071686 C\n0.723278 0.280072 0.296145 C\n0.764922 0.225730 0.412475 C\n0.942355 0.000422 0.449813 C\n0.980916 0.953028 0.571715 C\n0.982166 0.957349 0.755309 C\n0.943423 0.011699 0.871405 C\n0.084936 0.833935 0.949769 C\n0.262365 0.608628 0.912382 C\n0.304366 0.554374 0.796043 C\n0.160187 0.732977 0.721044 C\n0.870585 0.091513 0.658149 N\n0.157113 0.742955 0.158077 N\n0.161880 0.728025 0.603004 O\n0.865767 0.106446 0.103042 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.6973128211472799,
"density_atomic": 0.10474161585732109,
"volume": 229.13528499209687,
"volume_molar": 5.749520580438011,
"formula_full": "H6 C14 N2 O2",
"formula_reduced": "H3C7NO",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 5.842256395833335,
"spacegroup": 4
},
{
"id": "jvasp-38005",
"created_at": "2022-09-04T14:38:01.669860Z",
"updated_at": "2022-09-04T14:38:01.669892Z",
"structure_string": "Li6 P1 S5 Cl1\n1.0\n5.082268 5.082268 -0.000000\n5.082268 0.000000 -5.082268\n-0.000000 5.082268 -5.082268\nLi P S Cl\n6 1 5 1\ndirect\n0.023173 0.476827 0.023173 Li\n0.476827 0.023173 0.476827 Li\n0.023173 0.476827 0.476827 Li\n0.476827 0.023173 0.023173 Li\n0.023173 0.023173 0.476827 Li\n0.476827 0.476827 0.023173 Li\n0.500000 0.500000 0.500000 P\n0.616944 0.616944 0.149168 S\n0.616944 0.149168 0.616944 S\n0.149168 0.616944 0.616944 S\n0.616944 0.616944 0.616944 S\n0.250000 0.250000 0.250000 S\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"P",
"S",
"Cl"
],
"chemical_system": "Cl-Li-P-S",
"density": 1.6975606669593326,
"density_atomic": 0.049515442961040185,
"volume": 262.5443542982879,
"volume_molar": 12.162146594827698,
"formula_full": "Li6 P1 S5 Cl1",
"formula_reduced": "Li6PS5Cl",
"formula_anonymous": "ABC5D6",
"energy_above_hull": 1.4885015051923076,
"spacegroup": 216
},
{
"id": "jvasp-50879",
"created_at": "2022-09-04T14:36:13.917358Z",
"updated_at": "2022-09-04T14:36:13.917383Z",
"structure_string": "Li3 Cr1 S4\n1.0\n5.815533 -0.000000 0.000000\n-0.000000 5.815533 0.000000\n-0.000000 -0.000000 5.815533\nLi Cr S\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Cr\n0.211862 0.211862 0.211862 S\n0.211862 0.788138 0.788138 S\n0.788138 0.211862 0.788138 S\n0.788138 0.788138 0.211862 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Cr",
"S"
],
"chemical_system": "Cr-Li-S",
"density": 1.6976472599061898,
"density_atomic": 0.040674424198303624,
"volume": 196.68379227685907,
"volume_molar": 14.805718528773076,
"formula_full": "Li3 Cr1 S4",
"formula_reduced": "Li3CrS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.9787184250000005,
"spacegroup": 215
},
{
"id": "jvasp-103805",
"created_at": "2022-09-04T14:36:41.257980Z",
"updated_at": "2022-09-04T14:36:41.258001Z",
"structure_string": "H10 C12 S4 N2\n1.0\n5.205299 0.038452 -0.466141\n-2.632139 6.402841 -2.490116\n-0.040112 0.035340 9.070974\nH C S N\n10 12 4 2\ndirect\n0.891709 0.863493 0.913295 H\n0.391708 0.363493 0.413295 H\n0.955327 0.506465 0.297093 H\n0.455328 0.006466 0.797093 H\n0.775503 0.663834 0.108301 H\n0.275504 0.163835 0.608301 H\n0.563807 0.655044 0.820975 H\n0.063806 0.155043 0.320975 H\n0.378240 0.185979 0.087226 H\n0.878241 0.685979 0.587226 H\n0.418939 0.064168 0.293863 C\n0.918939 0.564168 0.793862 C\n0.277192 0.219911 0.306166 C\n0.777192 0.719911 0.806166 C\n0.639548 0.860320 0.605054 C\n0.139547 0.360320 0.105055 C\n0.391958 0.062900 0.574770 C\n0.961966 0.508052 0.923900 C\n0.891957 0.562899 0.074770 C\n0.486424 0.979942 0.675833 C\n0.986423 0.479941 0.175833 C\n0.461966 0.008052 0.423901 C\n0.029830 0.465491 0.626358 S\n0.529829 0.965490 0.126358 S\n0.152874 0.347368 0.910178 S\n0.652874 0.847368 0.410178 S\n0.273895 0.262069 0.161041 N\n0.773896 0.762069 0.661041 N\n",
"nsites": 28,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.6980223937825374,
"density_atomic": 0.09221828453081304,
"volume": 303.62742207207634,
"volume_molar": 6.530310979692766,
"formula_full": "H10 C12 S4 N2",
"formula_reduced": "H5C6S2N",
"formula_anonymous": "AB2C5D6",
"energy_above_hull": 5.125060232142857,
"spacegroup": 1
},
{
"id": "jvasp-37782",
"created_at": "2022-09-04T14:38:34.287804Z",
"updated_at": "2022-09-04T14:38:34.287827Z",
"structure_string": "K2 H8 O4 F2\n1.0\n4.089098 0.000000 0.000000\n0.000000 5.129881 0.000000\n0.000000 0.000000 8.776027\nK H O F\n2 8 4 2\ndirect\n0.500000 0.607626 0.500269 K\n0.500000 0.392374 0.000269 K\n0.307632 0.901715 0.180380 H\n0.692368 0.901715 0.180380 H\n0.000000 0.226565 0.290132 H\n0.000000 0.137881 0.463333 H\n0.307632 0.098285 0.680381 H\n0.692368 0.098285 0.680381 H\n0.000000 0.773435 0.790132 H\n0.000000 0.862119 0.963334 H\n0.500000 0.797093 0.212516 O\n0.000000 0.293079 0.396143 O\n0.500000 0.202907 0.712517 O\n0.000000 0.706920 0.896143 O\n0.000000 0.092788 0.110246 F\n0.000000 0.907212 0.610246 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"H",
"O",
"F"
],
"chemical_system": "F-H-K-O",
"density": 1.6980941436055919,
"density_atomic": 0.08691349657818137,
"volume": 184.09108630910399,
"volume_molar": 6.928890215092081,
"formula_full": "K2 H8 O4 F2",
"formula_reduced": "KH4O2F",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.8578906603125,
"spacegroup": 26
}
]
}