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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=268",
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"results": [
{
"id": "jvasp-32532",
"created_at": "2022-09-04T14:38:01.350027Z",
"updated_at": "2022-09-04T14:38:01.350038Z",
"structure_string": "Os4 O8 F12\n1.0\n5.022960 0.000000 0.000000\n0.000000 5.335787 -0.906837\n0.000000 0.043615 12.103721\nOs O F\n4 8 12\ndirect\n0.491858 0.187396 0.052252 Os\n0.027416 0.809571 0.333218 Os\n0.972584 0.809572 0.833218 Os\n0.508142 0.187396 0.552252 Os\n0.621622 0.424352 0.995573 O\n0.331292 0.673033 0.301374 O\n0.880815 0.608607 0.411053 O\n0.141292 0.752363 0.708668 O\n0.119185 0.608607 0.911053 O\n0.858708 0.752362 0.208668 O\n0.378378 0.424352 0.495573 O\n0.668709 0.673034 0.801374 O\n0.357972 0.256927 0.697584 F\n0.171578 0.342040 0.111123 F\n0.184384 0.970537 0.501785 F\n0.642028 0.256927 0.197585 F\n0.304556 0.053769 0.904687 F\n0.815616 0.970536 0.001785 F\n0.136784 0.141506 0.319630 F\n0.828422 0.342040 0.611123 F\n0.367884 0.880536 0.089188 F\n0.695444 0.053769 0.404687 F\n0.863216 0.141507 0.819630 F\n0.632116 0.880536 0.589188 F\n",
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],
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"volume": 324.59587526251687,
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"formula_full": "Os4 O8 F12",
"formula_reduced": "OsO2F3",
"formula_anonymous": "AB2C3",
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"spacegroup": 7
},
{
"id": "jvasp-40654",
"created_at": "2022-09-04T14:38:02.945838Z",
"updated_at": "2022-09-04T14:38:02.945866Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n0.000000 8.195386 0.038832\n5.273883 0.000000 0.000000\n0.000000 -2.385931 -8.043097\nLi Mn P O\n4 4 4 16\ndirect\n0.134980 0.335264 0.792171 Li\n0.630850 0.825590 0.613015 Li\n0.134980 0.664735 0.292171 Li\n0.630850 0.174410 0.113014 Li\n0.032066 0.836582 0.920052 Mn\n0.507842 0.322120 0.728417 Mn\n0.032066 0.163418 0.420052 Mn\n0.507842 0.677879 0.228417 Mn\n0.260993 0.180147 0.167944 P\n0.749987 0.327561 0.493460 P\n0.260993 0.819852 0.667944 P\n0.749987 0.672439 0.993460 P\n0.422789 0.315747 0.153666 O\n0.770725 0.201653 0.332201 O\n0.295503 0.892564 0.211837 O\n0.196921 0.310179 0.304819 O\n0.681349 0.602221 0.454812 O\n0.933650 0.316106 0.613592 O\n0.622530 0.177750 0.562925 O\n0.681349 0.397779 0.954812 O\n0.422789 0.684252 0.653666 O\n0.770725 0.798346 0.832201 O\n0.295504 0.107435 0.711837 O\n0.196921 0.689820 0.804820 O\n0.622530 0.822249 0.062924 O\n0.121019 0.191493 0.997294 O\n0.121019 0.808506 0.497294 O\n0.933650 0.683894 0.113592 O\n",
"nsites": 28,
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"elements": [
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"P",
"O"
],
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"density": 3.0011133047682987,
"density_atomic": 0.08065767234501606,
"volume": 347.14614476139366,
"volume_molar": 7.46629624301589,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.550516677339901,
"spacegroup": 7
},
{
"id": "jvasp-52250",
"created_at": "2022-09-04T14:38:03.827013Z",
"updated_at": "2022-09-04T14:38:03.827032Z",
"structure_string": "Li4 Cu2 F8\n1.0\n5.291301 0.000145 0.000145\n-0.000261 5.653448 0.026101\n-0.000021 -2.717262 4.816932\nLi Cu F\n4 2 8\ndirect\n0.951451 0.441892 0.916820 Li\n0.548553 0.441888 0.416819 Li\n0.480469 0.717086 0.980375 Li\n0.019538 0.717084 0.480375 Li\n0.493308 0.008576 0.542950 Cu\n0.006689 0.008576 0.042940 Cu\n0.867726 0.368336 0.244472 F\n0.842869 0.833832 0.227994 F\n0.657121 0.833836 0.728001 F\n0.632283 0.368339 0.744478 F\n0.349048 0.650618 0.295449 F\n0.376936 0.105386 0.268636 F\n0.123058 0.105384 0.768641 F\n0.150950 0.650623 0.795450 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Cu",
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],
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"density": 3.526871630112146,
"density_atomic": 0.09690630878590333,
"volume": 144.46943832037218,
"volume_molar": 6.214394950595851,
"formula_full": "Li4 Cu2 F8",
"formula_reduced": "Li2CuF4",
"formula_anonymous": "AB2C4",
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"spacegroup": 7
},
{
"id": "jvasp-29622",
"created_at": "2022-09-04T14:38:04.011461Z",
"updated_at": "2022-09-04T14:38:04.011488Z",
"structure_string": "Sn4 P4 Se12\n1.0\n6.961438 0.000000 -0.158297\n0.000000 7.762886 0.000000\n-0.038797 0.000000 9.774765\nSn P Se\n4 4 12\ndirect\n0.981680 0.872208 0.779479 Sn\n0.531592 0.361802 0.783972 Sn\n0.481680 0.127793 0.279479 Sn\n0.031592 0.638199 0.283972 Sn\n0.561029 0.640961 0.434830 P\n0.061029 0.359040 0.934829 P\n0.939445 0.144634 0.064745 P\n0.439445 0.855366 0.564744 P\n0.829424 0.547249 0.537384 Se\n0.174607 0.950400 0.453935 Se\n0.892653 0.255111 0.270340 Se\n0.674606 0.049600 0.953934 Se\n0.832105 0.557548 0.943464 Se\n0.392652 0.744889 0.770340 Se\n0.110660 0.241215 0.731585 Se\n0.329424 0.452751 0.037384 Se\n0.332105 0.442452 0.443465 Se\n0.158105 0.938447 0.055063 Se\n0.658104 0.061553 0.555063 Se\n0.610660 0.758786 0.231585 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"P",
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],
"chemical_system": "P-Se-Sn",
"density": 4.861171390349313,
"density_atomic": 0.03786523888041679,
"volume": 528.1889297770582,
"volume_molar": 15.904140414956,
"formula_full": "Sn4 P4 Se12",
"formula_reduced": "SnPSe3",
"formula_anonymous": "ABC3",
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"spacegroup": 7
},
{
"id": "jvasp-47303",
"created_at": "2022-09-04T14:38:04.714671Z",
"updated_at": "2022-09-04T14:38:04.714696Z",
"structure_string": "Li4 Mn2 F12\n1.0\n0.000000 4.976863 0.026573\n5.174089 0.000000 0.000000\n0.000000 -5.009419 -7.377722\nLi Mn F\n4 2 12\ndirect\n0.492855 0.238450 0.495693 Li\n0.740469 0.310750 0.231702 Li\n0.492855 0.761550 -0.004307 Li\n0.740469 0.689250 0.731702 Li\n0.998423 0.242584 0.001091 Mn\n0.998423 0.757416 0.501091 Mn\n0.252555 0.570920 0.453397 F\n0.751000 0.069196 0.062043 F\n0.080027 0.062920 0.428586 F\n0.367684 0.801571 0.733954 F\n0.655358 0.689880 0.268936 F\n0.751000 0.930804 0.562043 F\n0.252555 0.429081 0.953397 F\n0.892885 0.531571 0.074015 F\n0.080026 0.937080 0.928585 F\n0.367684 0.198430 0.233954 F\n0.892885 0.468430 0.574015 F\n0.655358 0.310121 0.768936 F\n",
"nsites": 18,
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"elements": [
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"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.207344484953067,
"density_atomic": 0.09509068335260402,
"volume": 189.29299238764042,
"volume_molar": 6.333050250222106,
"formula_full": "Li4 Mn2 F12",
"formula_reduced": "Li2MnF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.3148109929310344,
"spacegroup": 7
},
{
"id": "jvasp-47023",
"created_at": "2022-09-04T14:38:04.833778Z",
"updated_at": "2022-09-04T14:38:04.833806Z",
"structure_string": "Li2 V4 O2 F10\n1.0\n0.000000 4.667090 0.019733\n4.671661 0.000000 0.000000\n0.000000 -4.584676 -9.173147\nLi V O F\n2 4 2 10\ndirect\n0.000547 0.757264 0.000762 Li\n0.000547 0.242736 0.500762 Li\n0.355201 0.273832 0.834548 V\n0.671093 0.742407 0.679659 V\n0.355201 0.726168 0.334548 V\n0.671093 0.257593 0.179659 V\n0.602295 0.542804 0.812401 O\n0.602296 0.457196 0.312401 O\n0.363968 0.949266 0.168174 F\n0.039078 0.039404 0.331094 F\n0.306094 0.553192 0.502031 F\n0.694716 0.938545 0.504020 F\n0.306094 0.446808 0.002031 F\n0.967009 0.445748 0.667313 F\n0.039077 0.960596 0.831094 F\n0.967009 0.554252 0.167313 F\n0.363968 0.050734 0.668174 F\n0.694717 0.061455 0.004020 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.6578012623510308,
"density_atomic": 0.09018937358531916,
"volume": 199.58005344135137,
"volume_molar": 6.677217637289668,
"formula_full": "Li2 V4 O2 F10",
"formula_reduced": "LiV2OF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.1282048125,
"spacegroup": 7
},
{
"id": "jvasp-30120",
"created_at": "2022-09-04T14:38:04.842868Z",
"updated_at": "2022-09-04T14:38:04.842888Z",
"structure_string": "Mo4 O12\n1.0\n4.954937 0.000000 0.000000\n0.000000 5.281679 1.001726\n0.000000 1.630384 8.314230\nMo O\n4 12\ndirect\n0.019072 0.959351 0.968358 Mo\n0.480928 0.459351 0.968358 Mo\n0.519132 0.704586 0.470924 Mo\n0.980869 0.204586 0.470923 Mo\n0.284373 0.028982 0.448069 O\n0.215628 0.528982 0.448070 O\n0.366705 0.582586 0.764237 O\n0.133295 0.082586 0.764237 O\n0.724455 0.408187 0.573699 O\n0.775545 0.908187 0.573699 O\n0.660477 0.821995 0.273955 O\n0.839524 0.321995 0.273954 O\n0.247411 0.680061 0.067830 O\n0.252589 0.180061 0.067830 O\n0.731904 0.763048 0.953733 O\n0.768097 0.263048 0.953733 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mo-O",
"density": 4.563658192921727,
"density_atomic": 0.0763744218777209,
"volume": 209.49422079576283,
"volume_molar": 7.885023037741268,
"formula_full": "Mo4 O12",
"formula_reduced": "MoO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.7905366,
"spacegroup": 7
},
{
"id": "jvasp-46281",
"created_at": "2022-09-04T14:38:04.969203Z",
"updated_at": "2022-09-04T14:38:04.969220Z",
"structure_string": "Li4 Al2 Co2 O8\n1.0\n0.000000 4.975939 0.012863\n5.403730 0.000000 0.000000\n0.000000 -4.945267 -6.317939\nLi Al Co O\n4 2 2 8\ndirect\n0.255065 0.331849 0.752707 Li\n0.506291 0.832369 0.004156 Li\n0.255066 0.668151 0.252707 Li\n0.506291 0.167631 0.504156 Li\n0.750964 0.669538 0.753668 Al\n0.750964 0.330462 0.253668 Al\n0.999384 0.166634 -0.000095 Co\n0.999384 0.833366 0.499905 Co\n0.381398 0.678908 0.743378 O\n0.641530 0.181101 0.020790 O\n0.087688 0.166784 0.485580 O\n0.866283 0.645119 0.262720 O\n0.381399 0.321092 0.243378 O\n0.641530 0.818899 0.520790 O\n0.087687 0.833216 0.985580 O\n0.866283 0.354881 0.762720 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.208584568978774,
"density_atomic": 0.09437468316147693,
"volume": 169.53699301563415,
"volume_molar": 6.381097724795537,
"formula_full": "Li4 Al2 Co2 O8",
"formula_reduced": "Li2AlCoO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.0587109625,
"spacegroup": 7
},
{
"id": "jvasp-5656",
"created_at": "2022-09-04T14:38:05.058526Z",
"updated_at": "2022-09-04T14:38:05.058543Z",
"structure_string": "Al2 Se2 Br14\n1.0\n0.000000 7.137400 -0.291843\n6.668313 0.000000 0.000000\n0.000000 -3.368523 -12.581101\nAl Se Br\n2 2 14\ndirect\n0.678844 0.000029 0.341354 Al\n0.678844 -0.000029 0.841354 Al\n0.007258 0.597871 0.491164 Se\n0.007258 0.402129 0.991164 Se\n0.451670 0.832305 0.215817 Br\n0.451670 0.167695 0.715817 Br\n0.638736 0.344185 0.327845 Br\n0.638736 0.655815 0.827845 Br\n0.663516 0.874517 0.506249 Br\n0.663516 0.125482 0.006249 Br\n-0.014501 0.072791 0.814777 Br\n0.950548 0.624427 0.123257 Br\n0.206427 0.836244 0.601056 Br\n0.206427 0.163756 0.101056 Br\n0.252801 0.425774 0.428582 Br\n0.950549 0.375573 0.623257 Br\n0.252801 0.574226 0.928582 Br\n-0.014501 0.927208 0.314777 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Se",
"Br"
],
"chemical_system": "Al-Br-Se",
"density": 3.649835597811827,
"density_atomic": 0.029735077600664992,
"volume": 605.3456541037394,
"volume_molar": 20.252648541483282,
"formula_full": "Al2 Se2 Br14",
"formula_reduced": "AlSeBr7",
"formula_anonymous": "ABC7",
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"spacegroup": 7
},
{
"id": "jvasp-46748",
"created_at": "2022-09-04T14:38:05.197083Z",
"updated_at": "2022-09-04T14:38:05.197115Z",
"structure_string": "Li2 Fe2 Si2 O8\n1.0\n4.993035 -0.002558 -0.000209\n0.004260 5.530386 -0.001235\n0.070570 0.002301 6.082391\nLi Fe Si O\n2 2 2 8\ndirect\n0.010637 0.333685 0.749588 Li\n0.510856 0.666105 0.249626 Li\n0.009985 0.832431 0.998848 Fe\n0.509843 0.167335 0.498768 Fe\n0.005870 0.830767 0.501381 Si\n0.505804 0.169017 0.001301 Si\n0.139578 0.104229 0.521619 O\n0.121720 0.703446 0.273419 O\n0.075869 0.673132 0.724030 O\n0.177853 0.137544 0.981338 O\n0.639679 0.895557 0.021613 O\n0.575774 0.326618 0.223914 O\n0.621537 0.296337 0.773288 O\n0.677902 0.862223 0.481354 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Fe",
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"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.0623093359731,
"density_atomic": 0.08335530144351345,
"volume": 167.9557239618075,
"volume_molar": 7.224664365326498,
"formula_full": "Li2 Fe2 Si2 O8",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.441719728571429,
"spacegroup": 7
},
{
"id": "jvasp-48226",
"created_at": "2022-09-04T14:38:06.290528Z",
"updated_at": "2022-09-04T14:38:06.290546Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n0.000000 8.106321 0.085059\n5.283099 0.000000 0.000000\n0.000000 -2.207529 -7.977440\nLi Co Si O\n4 4 4 16\ndirect\n0.029714 0.841532 0.922148 Li\n0.496735 0.332599 0.718193 Li\n0.029714 0.158469 0.422148 Li\n0.496735 0.667401 0.218192 Li\n0.133839 0.332750 0.798310 Co\n0.626344 0.832609 0.607527 Co\n0.133839 0.667250 0.298310 Co\n0.626344 0.167391 0.107527 Co\n0.261700 0.168957 0.177431 Si\n0.752217 0.336984 0.486466 Si\n0.261700 0.831044 0.677431 Si\n0.752217 0.663016 0.986466 Si\n0.434634 0.313048 0.157382 O\n0.786023 0.214207 0.315046 O\n0.302064 0.870801 0.235557 O\n0.186222 0.320263 0.316367 O\n0.673127 0.624828 0.444580 O\n0.947879 0.316050 0.611834 O\n0.615549 0.176989 0.563022 O\n0.673127 0.375172 0.944580 O\n0.434634 0.686953 0.657382 O\n0.786023 0.785793 0.815046 O\n0.302064 0.129199 0.735557 O\n0.186222 0.679738 0.816367 O\n0.615549 0.823011 0.063022 O\n0.115152 0.174014 0.992340 O\n0.115152 0.825987 0.492340 O\n0.947879 0.683951 0.111834 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Co",
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"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.0798923931497173,
"density_atomic": 0.08219488607048725,
"volume": 340.6537965876399,
"volume_molar": 7.326661119568483,
"formula_full": "Li4 Co4 Si4 O16",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.441819071428572,
"spacegroup": 7
},
{
"id": "jvasp-44373",
"created_at": "2022-09-04T14:38:08.672899Z",
"updated_at": "2022-09-04T14:38:08.672915Z",
"structure_string": "Li4 Al2 Fe2 O8\n1.0\n4.996034 0.000808 0.000290\n-0.001063 5.413930 0.000275\n-0.004447 -0.000244 6.333841\nLi Al Fe O\n4 2 2 8\ndirect\n0.501132 0.668706 0.749779 Li\n0.001188 0.833014 0.502021 Li\n0.001153 0.330733 0.249786 Li\n0.501208 0.166421 0.002009 Li\n0.996080 0.832642 0.000313 Al\n0.496083 0.166793 0.500306 Al\n0.997844 0.333384 0.752614 Fe\n0.497836 0.666050 0.252612 Fe\n0.102662 0.146404 0.992684 O\n0.103685 0.668468 0.770807 O\n0.618920 0.317479 0.731891 O\n0.138410 0.178764 0.509341 O\n0.602653 0.853035 0.492678 O\n0.603689 0.330974 0.270796 O\n0.118913 0.681960 0.231901 O\n0.638405 0.820675 0.009337 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-Li-O",
"density": 3.1153464354206064,
"density_atomic": 0.09339309584656058,
"volume": 171.3188737879197,
"volume_molar": 6.448164829972042,
"formula_full": "Li4 Al2 Fe2 O8",
"formula_reduced": "Li2AlFeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.0591165375,
"spacegroup": 7
}
]
}