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=spacegroup&page=10",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=8",
"results": [
{
"id": "jvasp-52817",
"created_at": "2022-09-04T14:36:12.927248Z",
"updated_at": "2022-09-04T14:36:12.927271Z",
"structure_string": "Li1 Al3 Si9 N14 O2\n1.0\n5.709014 -0.000850 -0.003979\n0.016098 7.880025 0.002539\n0.026794 3.904131 6.858375\nLi Al Si N O\n1 3 9 14 2\ndirect\n0.285365 0.333040 0.338636 Li\n0.542050 0.754798 0.166264 Al\n0.842942 0.424011 0.496611 Al\n0.340417 0.575750 0.909247 Al\n0.050688 0.250552 0.921974 Si\n0.331845 0.512185 0.570929 Si\n0.039848 0.915922 0.832491 Si\n0.342055 0.910514 0.514322 Si\n0.540092 0.093526 0.741285 Si\n0.840324 0.083186 0.428631 Si\n0.543086 0.171070 0.082174 Si\n0.851809 0.482505 0.080528 Si\n0.051051 0.832354 0.252880 Si\n0.799132 0.013356 0.676569 N\n0.291845 0.309285 0.019327 N\n0.053332 0.663227 0.954237 N\n0.073010 0.387276 0.672106 N\n0.414995 0.669299 0.653022 N\n0.297785 0.991462 0.685361 N\n0.280218 0.668711 0.320515 N\n0.795690 0.316745 0.000614 N\n0.563741 0.053185 0.342951 N\n0.540924 0.344659 0.587930 N\n0.544149 0.014452 0.987829 N\n0.918543 0.331579 0.324862 N\n0.041931 0.997289 0.003829 N\n0.065429 0.947957 0.393975 N\n0.580750 0.595211 0.059563 O\n0.805741 0.690238 0.314663 O\n",
"nsites": 29,
"nelements": 5,
"elements": [
"Li",
"Al",
"Si",
"N",
"O"
],
"chemical_system": "Al-Li-N-O-Si",
"density": 3.061523048029216,
"density_atomic": 0.09400842318179208,
"volume": 308.48299565582795,
"volume_molar": 6.405958696227119,
"formula_full": "Li1 Al3 Si9 N14 O2",
"formula_reduced": "LiAl3Si9(N7O)2",
"formula_anonymous": "AB2C3D9E14",
"energy_above_hull": 4.866287527586207,
"spacegroup": 1
},
{
"id": "jvasp-42567",
"created_at": "2022-09-04T14:36:12.966899Z",
"updated_at": "2022-09-04T14:36:12.966925Z",
"structure_string": "Li2 Mg2 Mn1 Fe1 P4 O16\n1.0\n4.783543 -0.008854 0.002133\n-0.068369 5.900800 -0.000052\n-0.123612 -0.012911 10.010835\nLi Mg Mn Fe P O\n2 2 1 1 4 16\ndirect\n-0.000975 0.539382 -0.008305 Li\n0.489820 0.958365 0.492966 Li\n0.028803 0.748985 0.277966 Mg\n0.472820 0.749592 0.776293 Mg\n0.554867 0.250114 0.218681 Mn\n0.968372 0.247530 0.723763 Fe\n0.919337 0.747868 0.595258 P\n0.572951 0.751973 0.094436 P\n0.093550 0.251710 0.400844 P\n0.415154 0.249300 0.907039 P\n0.679675 0.751023 0.951432 O\n0.789494 0.545087 0.676405 O\n0.770006 0.241594 0.380558 O\n0.732684 0.262682 0.890468 O\n0.709261 0.953199 0.176503 O\n0.726641 0.545768 0.166381 O\n0.337378 0.247108 0.057653 O\n0.228608 0.452682 0.326373 O\n0.273845 0.049734 0.829750 O\n0.257509 0.738735 0.105671 O\n0.236117 0.761499 0.607679 O\n0.771410 0.956555 0.666929 O\n0.237807 0.039342 0.339647 O\n0.161909 0.252085 0.551895 O\n0.260764 0.457552 0.842657 O\n0.812188 0.750545 0.451052 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Li",
"Mg",
"Mn",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-Mg-Mn-O-P",
"density": 3.2506955485900035,
"density_atomic": 0.0920130426551029,
"volume": 282.56863646447493,
"volume_molar": 6.544877319808988,
"formula_full": "Li2 Mg2 Mn1 Fe1 P4 O16",
"formula_reduced": "Li2Mg2MnFe(PO4)4",
"formula_anonymous": "ABC2D2E4F16",
"energy_above_hull": 2.755044186206897,
"spacegroup": 1
},
{
"id": "jvasp-52579",
"created_at": "2022-09-04T14:36:13.788902Z",
"updated_at": "2022-09-04T14:36:13.788927Z",
"structure_string": "Al10 O15\n1.0\n5.602296 -0.006846 0.040685\n-2.801875 4.872792 0.014162\n-1.493431 -1.249238 9.122689\nAl O\n10 15\ndirect\n0.586550 0.254623 0.123323 Al\n0.904358 -0.013655 0.014375 Al\n0.949167 0.962722 0.310225 Al\n0.482527 0.481788 0.329867 Al\n0.755428 0.872665 0.630820 Al\n0.327566 0.426765 0.823782 Al\n0.398706 0.176795 0.557346 Al\n0.032235 0.520885 0.495282 Al\n0.836389 0.430635 0.825426 Al\n0.322346 0.910797 0.821606 Al\n0.531803 0.271097 0.926566 O\n0.598715 0.066012 0.689631 O\n0.112454 0.559917 0.696486 O\n0.031838 0.784096 0.924497 O\n0.663646 0.337906 0.442976 O\n0.164974 0.851403 0.437154 O\n0.257396 0.147314 0.186560 O\n0.137575 0.071460 0.690788 O\n0.678016 0.827016 0.434659 O\n0.728079 0.607620 0.200913 O\n0.535491 0.779495 0.915516 O\n0.185603 0.327938 0.431141 O\n0.786953 0.099624 0.169735 O\n0.596032 0.526213 0.690971 O\n0.036140 0.288842 0.920347 O\n",
"nsites": 25,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 3.39434078730266,
"density_atomic": 0.10024000570095784,
"volume": 249.40142236804675,
"volume_molar": 6.00772188497836,
"formula_full": "Al10 O15",
"formula_reduced": "Al2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.61595522,
"spacegroup": 1
},
{
"id": "jvasp-43094",
"created_at": "2022-09-04T14:36:13.681370Z",
"updated_at": "2022-09-04T14:36:13.681380Z",
"structure_string": "Ti3 Te1 O8\n1.0\n5.404295 0.126340 0.021964\n1.260056 5.156529 0.051967\n0.547055 0.514614 7.329887\nTi Te O\n3 1 8\ndirect\n0.879070 0.011431 0.881017 Ti\n0.614476 0.493779 0.373383 Ti\n0.398147 0.010556 0.622588 Ti\n0.187547 0.395565 0.117085 Te\n0.040299 0.662085 0.935410 O\n0.955403 0.513190 0.318097 O\n0.539202 0.063975 0.828365 O\n0.519688 0.182560 0.420229 O\n0.503792 0.666916 0.580559 O\n0.408280 0.638767 0.192667 O\n0.049684 0.107200 0.671040 O\n0.904405 0.205573 0.059562 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ti",
"Te",
"O"
],
"chemical_system": "O-Te-Ti",
"density": 3.266881338583079,
"density_atomic": 0.059139699047125106,
"volume": 202.9093856300803,
"volume_molar": 10.182907348245541,
"formula_full": "Ti3 Te1 O8",
"formula_reduced": "Ti3TeO8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.006891730555556,
"spacegroup": 1
},
{
"id": "jvasp-52825",
"created_at": "2022-09-04T14:36:13.762685Z",
"updated_at": "2022-09-04T14:36:13.762716Z",
"structure_string": "Rb3 H3 Se3 O12\n1.0\n-4.631904 0.003311 0.003781\n-0.077088 -7.516054 -0.003675\n2.228007 3.732364 9.636576\nRb H Se O\n3 3 3 12\ndirect\n0.997883 0.492660 0.000268 Rb\n0.427913 0.919944 0.670295 Rb\n0.570698 0.251099 0.328702 Rb\n0.457083 0.873156 0.008111 H\n0.852890 0.554277 0.685036 H\n0.147236 0.870641 0.316379 H\n0.989522 0.001218 0.997150 Se\n0.295312 0.407016 0.665143 Se\n0.706943 0.742462 0.334527 Se\n0.929833 0.848872 0.260355 O\n0.070532 0.588447 0.740264 O\n0.918456 0.691763 0.461423 O\n0.085079 0.231694 0.537813 O\n0.475646 0.908672 0.393667 O\n0.290593 0.891350 0.064303 O\n0.945629 0.187608 0.131101 O\n0.065671 0.060863 0.871439 O\n0.468027 0.346506 0.795222 O\n0.706295 0.834714 0.935652 O\n0.524728 0.513551 0.606590 O\n0.536121 0.553897 0.203775 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Rb",
"H",
"Se",
"O"
],
"chemical_system": "H-O-Rb-Se",
"density": 3.4068516905959405,
"density_atomic": 0.06259586468737265,
"volume": 335.48542072039294,
"volume_molar": 9.620668697647748,
"formula_full": "Rb3 H3 Se3 O12",
"formula_reduced": "RbHSeO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.901786766666667,
"spacegroup": 1
},
{
"id": "jvasp-42344",
"created_at": "2022-09-04T14:36:13.994385Z",
"updated_at": "2022-09-04T14:36:13.994413Z",
"structure_string": "Mn8 O13 F3\n1.0\n4.390630 0.011690 -0.017129\n-0.073122 5.413798 -0.001085\n-0.047671 -0.007978 9.776934\nMn O F\n8 13 3\ndirect\n0.997085 0.158080 0.372752 Mn\n0.010081 0.857130 0.625055 Mn\n0.003832 0.155498 0.874498 Mn\n0.982400 0.863510 0.119966 Mn\n0.504333 0.338753 0.121337 Mn\n0.502697 0.354298 0.627744 Mn\n0.474333 0.632021 0.881543 Mn\n0.538944 0.633432 0.379805 Mn\n0.228855 0.116261 0.207749 O\n0.213956 0.878675 0.956640 O\n0.234526 0.118250 0.711999 O\n0.278430 0.388501 0.459024 O\n0.272890 0.611632 0.709496 O\n0.250567 0.382293 0.962014 O\n0.730175 0.388837 0.794867 O\n0.737136 0.382818 0.286802 O\n0.747611 0.613634 0.540361 O\n0.776427 0.881725 0.290698 O\n0.762054 0.113321 0.035710 O\n0.776779 0.117278 0.539433 O\n0.713480 0.618192 0.042438 O\n0.259372 0.620273 0.212907 F\n0.732434 0.887956 0.798082 F\n0.271610 0.887635 0.449078 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 5.033686708216143,
"density_atomic": 0.10326957804366452,
"volume": 232.40145311576953,
"volume_molar": 5.831476097882103,
"formula_full": "Mn8 O13 F3",
"formula_reduced": "Mn8O13F3",
"formula_anonymous": "A3B8C13",
"energy_above_hull": 3.363745594938937,
"spacegroup": 1
},
{
"id": "jvasp-44274",
"created_at": "2022-09-04T14:36:14.209748Z",
"updated_at": "2022-09-04T14:36:14.209769Z",
"structure_string": "Mn6 O7 F5\n1.0\n4.633984 0.007584 -0.020796\n0.159607 5.460461 -0.052812\n0.154616 0.464820 7.462481\nMn O F\n6 7 5\ndirect\n0.447077 0.488133 0.007353 Mn\n0.522251 0.843878 0.672736 Mn\n0.544416 0.180103 0.323451 Mn\n0.990090 0.319435 0.666542 Mn\n0.984867 0.656305 0.339963 Mn\n-0.001038 0.002004 0.987036 Mn\n0.179300 0.291337 0.896803 O\n0.307891 0.793883 0.904894 O\n0.304399 0.481920 0.240438 O\n0.684789 0.199773 0.092555 O\n0.823536 0.014718 0.767263 O\n0.816418 0.380259 0.433109 O\n0.712126 0.869814 0.432727 O\n0.195216 0.648738 0.569046 F\n0.807086 0.692320 0.104736 F\n0.672314 0.506060 0.778129 F\n0.325171 0.159615 0.551293 F\n0.184097 0.971698 0.231921 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.715939765255845,
"density_atomic": 0.09526381504217468,
"volume": 188.94897282909716,
"volume_molar": 6.321540615745769,
"formula_full": "Mn6 O7 F5",
"formula_reduced": "Mn6O7F5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.791611631154214,
"spacegroup": 1
},
{
"id": "jvasp-48414",
"created_at": "2022-09-04T14:36:14.454702Z",
"updated_at": "2022-09-04T14:36:14.454712Z",
"structure_string": "Cr4 O1 F11\n1.0\n4.862703 -0.002951 -0.002100\n-0.077099 5.236602 -0.087826\n-0.008532 -0.594874 7.178268\nCr O F\n4 1 11\ndirect\n0.501981 0.499825 0.499468 Cr\n0.481818 0.486662 0.001541 Cr\n0.001506 0.000068 0.499440 Cr\n0.011979 0.016371 0.002231 Cr\n0.185573 0.313316 0.066082 O\n0.142610 0.995287 0.749331 F\n0.178694 0.677795 0.430684 F\n0.326429 0.175585 0.427293 F\n0.314374 0.815229 0.069201 F\n0.360122 0.496615 0.748881 F\n0.637740 0.501931 0.249067 F\n0.684309 0.182035 0.927306 F\n0.677510 0.823716 0.571729 F\n0.824842 0.322229 0.568982 F\n0.807789 0.690179 0.938680 F\n0.862722 0.003162 0.250086 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cr",
"O",
"F"
],
"chemical_system": "Cr-F-O",
"density": 3.938805436107336,
"density_atomic": 0.08765594669425142,
"volume": 182.53182588751048,
"volume_molar": 6.870202179215,
"formula_full": "Cr4 O1 F11",
"formula_reduced": "Cr4OF11",
"formula_anonymous": "AB4C11",
"energy_above_hull": 1.38867413796875,
"spacegroup": 1
},
{
"id": "jvasp-89762",
"created_at": "2022-09-04T14:36:15.044894Z",
"updated_at": "2022-09-04T14:36:15.044928Z",
"structure_string": "Li2 Mg8 H26 Os4\n1.0\n4.719351 0.000000 -0.000000\n-2.359676 4.087066 -0.000000\n0.000000 -0.000000 18.376377\nLi Mg H Os\n2 8 26 4\ndirect\n0.333322 0.666644 0.250000 Li\n0.666678 0.333356 0.750000 Li\n-0.000001 -0.000001 0.350255 Mg\n0.000001 0.000001 0.649745 Mg\n0.000001 0.000001 0.850255 Mg\n-0.000001 -0.000001 0.149745 Mg\n0.333335 0.666670 0.947444 Mg\n0.666665 0.333331 0.052556 Mg\n0.666665 0.333331 0.447444 Mg\n0.333335 0.666670 0.552556 Mg\n0.500006 0.000012 0.161625 H\n-0.000024 0.499986 0.161624 H\n0.500010 0.499986 0.338376 H\n0.500006 0.000012 0.338375 H\n-0.000024 0.499986 0.338376 H\n0.499990 0.500015 0.661624 H\n0.333332 0.666666 0.394997 H\n0.000024 0.500015 0.661624 H\n0.000005 0.000010 0.250000 H\n-0.000005 -0.000010 0.750000 H\n0.500010 0.499986 0.161624 H\n0.666667 0.333335 0.605003 H\n0.499994 -0.000012 0.661625 H\n0.000024 0.500015 0.838376 H\n0.163733 0.836265 0.051208 H\n0.499990 0.500015 0.838376 H\n0.672531 0.836265 0.051208 H\n0.163734 0.327468 0.051208 H\n0.666667 0.333335 0.894997 H\n0.327468 0.163736 0.948792 H\n0.836266 0.672533 0.948793 H\n0.836266 0.163736 0.948792 H\n0.327468 0.163736 0.551208 H\n0.836266 0.672533 0.551208 H\n0.836266 0.163736 0.551208 H\n0.672531 0.836265 0.448792 H\n0.163734 0.327468 0.448793 Os\n0.163733 0.836265 0.448792 Os\n0.499994 -0.000012 0.838375 Os\n0.333332 0.666666 0.105003 Os\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Mg",
"H",
"Os"
],
"chemical_system": "H-Li-Mg-Os",
"density": 4.663522170569349,
"density_atomic": 0.11285119682644626,
"volume": 354.44905437304277,
"volume_molar": 5.336355244208393,
"formula_full": "Li2 Mg8 H26 Os4",
"formula_reduced": "LiMg4H13Os2",
"formula_anonymous": "AB2C4D13",
"energy_above_hull": 2.6791873100000005,
"spacegroup": 1
},
{
"id": "jvasp-101806",
"created_at": "2022-09-04T14:36:31.184489Z",
"updated_at": "2022-09-04T14:36:31.184516Z",
"structure_string": "H16 C18 S2\n1.0\n5.158720 -0.022413 0.574646\n0.445898 7.997617 0.835875\n-0.107830 -0.036115 8.471843\nH C S\n16 18 2\ndirect\n0.312125 0.193812 0.376539 H\n0.335033 0.493372 0.907047 H\n0.645420 0.303394 0.612001 H\n0.675881 0.604122 0.635751 H\n0.925539 0.057688 0.570879 H\n0.261033 0.761321 0.808563 H\n0.223452 0.030241 0.652958 H\n0.312255 0.193761 0.876569 H\n0.166161 0.770596 0.617403 H\n0.645265 0.303474 0.111995 H\n0.675755 0.604196 0.135750 H\n0.166034 0.770669 0.117394 H\n0.925290 0.057747 0.070885 H\n0.260922 0.761387 0.308552 H\n0.223261 0.030309 0.152895 H\n0.334935 0.493418 0.407016 H\n0.088380 0.748781 0.743855 C\n0.178448 0.451905 0.845808 C\n0.164036 0.282391 0.830151 C\n0.913430 0.899164 0.779405 C\n0.009722 0.570545 0.771595 C\n0.977019 0.226909 0.741999 C\n0.807889 0.514084 0.696004 C\n0.791769 0.343972 0.681903 C\n0.014142 0.054567 0.684900 C\n0.088266 0.748845 0.243847 C\n0.163909 0.282446 0.330124 C\n0.913307 0.899223 0.279410 C\n0.009613 0.570608 0.271580 C\n0.976873 0.226972 0.241982 C\n0.807766 0.514154 0.195994 C\n0.791630 0.344044 0.181892 C\n0.013963 0.054629 0.184883 C\n0.178340 0.451959 0.345780 C\n0.648720 0.895957 0.401863 S\n0.648802 0.895912 0.901820 S\n",
"nsites": 36,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.4054488690372555,
"density_atomic": 0.10278210937851115,
"volume": 350.25550864522916,
"volume_molar": 5.8591332639637965,
"formula_full": "H16 C18 S2",
"formula_reduced": "H8C9S",
"formula_anonymous": "AB8C9",
"energy_above_hull": 5.363739444444444,
"spacegroup": 1
},
{
"id": "jvasp-43816",
"created_at": "2022-09-04T14:36:16.395632Z",
"updated_at": "2022-09-04T14:36:16.395651Z",
"structure_string": "Li4 Fe4 F12\n1.0\n5.001558 -0.032942 0.082724\n-2.491362 4.510547 -0.018994\n-1.548922 -1.931891 9.892364\nLi Fe F\n4 4 12\ndirect\n0.252674 0.512053 0.947568 Li\n0.022075 0.289587 0.570094 Li\n-0.040016 0.717591 0.443378 Li\n0.768541 0.503420 0.056736 Li\n0.577855 0.965981 0.248341 Fe\n0.151943 0.250869 0.246370 Fe\n0.779312 0.751891 0.755033 Fe\n0.492347 0.034197 0.750597 Fe\n0.573114 0.655107 0.354739 F\n0.472572 0.218802 0.136669 F\n0.159558 0.553142 0.123821 F\n0.193307 0.790398 0.863221 F\n0.930852 0.337817 0.391673 F\n0.893050 0.141928 0.880535 F\n0.385941 0.653651 0.621556 F\n0.547595 0.444721 0.875315 F\n0.252622 0.991252 0.355619 F\n0.060056 0.969527 0.621363 F\n0.732347 0.347723 0.644216 F\n0.794272 0.870155 0.113150 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.565353620746902,
"density_atomic": 0.08962616691897826,
"volume": 223.14911691001947,
"volume_molar": 6.7191769625091675,
"formula_full": "Li4 Fe4 F12",
"formula_reduced": "LiFeF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2934172695000001,
"spacegroup": 1
},
{
"id": "jvasp-52346",
"created_at": "2022-09-04T14:36:16.015172Z",
"updated_at": "2022-09-04T14:36:16.015188Z",
"structure_string": "Li4 Cu2 Sb2 O10\n1.0\n5.083281 -0.013877 0.039021\n-1.553890 5.305782 -0.016993\n-1.415605 -2.351860 7.366927\nLi Cu Sb O\n4 2 2 10\ndirect\n0.201104 0.898635 0.331537 Li\n0.417744 0.297182 0.825051 Li\n0.604402 0.712109 0.240285 Li\n0.766500 0.100776 0.607837 Li\n0.015928 0.507848 0.002544 Cu\n0.696082 0.901517 0.910081 Cu\n0.090798 0.687018 0.687640 Sb\n0.888036 0.297254 0.297771 Sb\n0.887824 0.672248 0.442185 O\n0.792474 0.471929 0.777575 O\n0.576864 0.079523 0.363034 O\n0.470417 0.928987 0.704460 O\n0.012379 0.014229 0.812927 O\n0.137263 0.346984 0.543124 O\n0.333211 0.649145 0.914594 O\n0.691528 0.351506 0.069573 O\n0.214634 0.524452 0.223993 O\n0.905939 0.948926 0.146933 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Cu",
"Sb",
"O"
],
"chemical_system": "Cu-Li-O-Sb",
"density": 4.664778291943288,
"density_atomic": 0.09055915019855848,
"volume": 198.76511606539484,
"volume_molar": 6.649952817353028,
"formula_full": "Li4 Cu2 Sb2 O10",
"formula_reduced": "Li2CuSbO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.7557471166666667,
"spacegroup": 1
}
]
}