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=-nsites&page=714",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=712",
"results": [
{
"id": "jvasp-29538",
"created_at": "2022-09-04T14:38:00.137799Z",
"updated_at": "2022-09-04T14:38:00.137827Z",
"structure_string": "Cd6 I12\n1.0\n4.285877 -0.000000 0.000000\n-2.142938 3.711679 0.000000\n0.000000 -0.000000 41.278674\nCd I\n6 12\ndirect\n0.000000 0.000000 0.541676 Cd\n0.333333 0.666667 0.375001 Cd\n0.666667 0.333333 0.041664 Cd\n0.000000 0.000000 0.708342 Cd\n0.000000 0.000000 0.208346 Cd\n0.000000 0.000000 0.874971 Cd\n0.666667 0.333333 0.832970 I\n-0.000000 -0.000000 -0.000336 I\n0.333333 0.666667 0.917001 I\n0.666667 0.333333 0.332973 I\n0.333333 0.666667 0.750356 I\n0.666667 0.333333 0.666327 I\n0.000000 0.000000 0.417000 I\n0.666667 0.333333 0.499645 I\n0.666667 0.333333 0.166338 I\n0.333333 0.666667 0.083694 I\n0.333333 0.666667 0.583679 I\n0.333333 0.666667 0.250354 I\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.556566089522013,
"density_atomic": 0.027411743182177532,
"volume": 656.6528761185525,
"volume_molar": 21.969200280248696,
"formula_full": "Cd6 I12",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 9.9999999999989e-05,
"spacegroup": 164
},
{
"id": "jvasp-46971",
"created_at": "2022-09-04T14:38:03.775523Z",
"updated_at": "2022-09-04T14:38:03.775549Z",
"structure_string": "Mn6 O7 F5\n1.0\n4.561620 -0.006888 0.011637\n0.083946 5.515023 0.032006\n0.049813 0.417434 7.643558\nMn O F\n6 7 5\ndirect\n0.487747 0.498681 0.996852 Mn\n0.545993 0.177117 0.344782 Mn\n0.510537 0.818833 0.655405 Mn\n0.972531 0.666505 0.317747 Mn\n0.978242 0.352469 0.679568 Mn\n0.993760 0.001818 0.011162 Mn\n0.185867 0.704842 0.099659 O\n0.307950 0.537164 0.765288 O\n0.701559 0.126209 0.568137 O\n0.808528 0.290228 0.907621 O\n0.795442 0.962588 0.233188 O\n0.805673 0.629888 0.551064 O\n0.691951 0.462405 0.228005 O\n0.204758 0.371134 0.431803 F\n0.710533 0.804791 0.895244 F\n0.285765 0.875622 0.422672 F\n0.301190 0.189656 0.119278 F\n0.211975 0.030040 0.772535 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.635374157788448,
"density_atomic": 0.09363635847772082,
"volume": 192.23302029929744,
"volume_molar": 6.431412816457259,
"formula_full": "Mn6 O7 F5",
"formula_reduced": "Mn6O7F5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.789072742265325,
"spacegroup": 1
},
{
"id": "jvasp-26498",
"created_at": "2022-09-04T14:37:53.744554Z",
"updated_at": "2022-09-04T14:37:53.744574Z",
"structure_string": "Rb2 Sn2 I2 O12\n1.0\n2.686736 -4.653563 0.000000\n2.686736 4.653563 0.000000\n0.000000 -0.000000 12.460027\nRb Sn I O\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.666668 0.333334 0.250000 Sn\n0.333334 0.666668 0.750000 Sn\n0.333334 0.666668 0.250000 I\n0.666668 0.333334 0.750000 I\n0.974893 0.369797 0.660766 O\n0.605097 0.630205 0.339234 O\n0.025109 0.630204 0.160766 O\n0.394904 0.025108 0.660766 O\n0.394905 0.369797 0.839234 O\n0.630204 0.025109 0.839234 O\n0.974893 0.605097 0.839234 O\n0.630205 0.605097 0.660766 O\n0.369797 0.394905 0.160766 O\n0.025108 0.394904 0.339234 O\n0.605097 0.974893 0.160766 O\n0.369797 0.974893 0.339234 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Sn",
"I",
"O"
],
"chemical_system": "I-O-Rb-Sn",
"density": 4.552263613357291,
"density_atomic": 0.05777140553323321,
"volume": 311.57282454631354,
"volume_molar": 10.42408559115935,
"formula_full": "Rb2 Sn2 I2 O12",
"formula_reduced": "RbSnIO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 1.666620997222222,
"spacegroup": 182
},
{
"id": "jvasp-48387",
"created_at": "2022-09-04T14:37:52.110026Z",
"updated_at": "2022-09-04T14:37:52.110051Z",
"structure_string": "V6 O10 F2\n1.0\n-4.682216 4.682216 2.903463\n-0.083668 4.607325 -2.918049\n-4.607325 0.083668 -2.918049\nV O F\n6 10 2\ndirect\n0.818995 0.660535 0.660535 V\n0.666667 0.333334 0.333334 V\n0.348276 0.643842 0.643842 V\n0.166667 0.333333 0.333333 V\n0.514338 0.006133 0.006133 V\n0.985059 0.022827 0.022827 V\n0.002438 0.702486 0.297851 O\n0.330897 0.964181 0.368817 O\n0.666667 0.634766 0.031901 O\n0.002438 0.297851 0.702486 O\n0.367289 0.429301 0.429301 O\n0.966045 0.237367 0.237367 O\n0.633471 0.565577 0.565577 O\n0.330897 0.368817 0.964181 O\n0.666667 0.031901 0.634766 O\n0.699864 0.101090 0.101090 O\n0.298736 0.897887 0.897887 F\n0.034599 0.768781 0.768781 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.515106908098538,
"density_atomic": 0.09717876986608598,
"volume": 185.2256416170354,
"volume_molar": 6.196971589883896,
"formula_full": "V6 O10 F2",
"formula_reduced": "V3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.9898933758333333,
"spacegroup": 12
},
{
"id": "jvasp-40666",
"created_at": "2022-09-04T14:38:02.283193Z",
"updated_at": "2022-09-04T14:38:02.283223Z",
"structure_string": "Li4 V2 F12\n1.0\n5.287685 -0.022254 -0.005062\n2.515056 4.651300 0.005062\n0.008118 -0.013685 8.312963\nLi V F\n4 2 12\ndirect\n0.044925 0.044937 0.977411 Li\n0.273769 0.273781 0.429144 Li\n0.726219 0.726232 0.929144 Li\n0.955063 0.955076 0.477411 Li\n0.379381 0.379408 0.764686 V\n0.620593 0.620620 0.264686 V\n0.874905 0.353316 0.414206 F\n0.402763 0.865408 0.097292 F\n0.646685 0.125095 0.914206 F\n0.418686 0.418722 0.264565 F\n0.581279 0.581315 0.764565 F\n0.125114 0.646678 0.914252 F\n0.597187 0.134676 0.597247 F\n0.865324 0.402813 0.097247 F\n0.134593 0.597238 0.597291 F\n0.176830 0.176845 0.791197 F\n0.353323 0.874887 0.414252 F\n0.823156 0.823171 0.291197 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.897983371412119,
"density_atomic": 0.08783912057967343,
"volume": 204.9200843680273,
"volume_molar": 6.855875514529644,
"formula_full": "Li4 V2 F12",
"formula_reduced": "Li2VF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.300661766111111,
"spacegroup": 36
},
{
"id": "jvasp-59665",
"created_at": "2022-09-04T14:37:43.036324Z",
"updated_at": "2022-09-04T14:37:43.036347Z",
"structure_string": "U6 Mn2 Sb10\n1.0\n4.501685 -7.797147 0.000000\n4.501685 7.797147 0.000000\n0.000000 -0.000000 6.123263\nU Mn Sb\n6 2 10\ndirect\n-0.000000 0.610018 0.250000 U\n0.610018 0.610018 0.750000 U\n0.389982 -0.000000 0.750000 U\n0.610018 -0.000000 0.250000 U\n0.389981 0.389981 0.250000 U\n-0.000000 0.389982 0.750000 U\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.752968 0.752968 0.250000 Sb\n-0.000001 0.752969 0.750000 Sb\n0.666667 0.333332 0.000000 Sb\n0.333332 0.666667 0.500000 Sb\n0.666667 0.333332 0.500000 Sb\n-0.000000 0.247031 0.250000 Sb\n0.333332 0.666667 0.000000 Sb\n0.247031 -0.000000 0.250000 Sb\n0.247031 0.247031 0.750000 Sb\n0.752969 -0.000001 0.750000 Sb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"U",
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb-U",
"density": 10.645090288309008,
"density_atomic": 0.04187441681554436,
"volume": 429.85673279438134,
"volume_molar": 14.38143195289707,
"formula_full": "U6 Mn2 Sb10",
"formula_reduced": "U3MnSb5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 3.952753971264368,
"spacegroup": 193
},
{
"id": "jvasp-14410",
"created_at": "2022-09-04T14:38:04.033785Z",
"updated_at": "2022-09-04T14:38:04.033802Z",
"structure_string": "K4 Hf2 F12\n1.0\n6.037393 -0.000000 0.000000\n0.000000 6.037393 -0.000000\n-0.000000 -0.000000 8.901464\nK Hf F\n4 2 12\ndirect\n0.000000 0.500000 0.250000 K\n0.500000 0.000000 0.250000 K\n0.500000 0.000000 0.750000 K\n0.000000 0.500000 0.750000 K\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Hf\n0.500000 0.500000 0.725665 F\n0.000000 0.000000 0.774335 F\n0.500000 0.500000 0.274335 F\n0.000000 0.000000 0.225665 F\n0.155368 0.707280 0.000000 F\n0.707280 0.844632 0.000000 F\n0.207281 0.655368 0.500000 F\n0.292719 0.155368 0.000000 F\n0.655368 0.792719 0.500000 F\n0.344632 0.207281 0.500000 F\n0.792719 0.344632 0.500000 F\n0.844632 0.292719 0.000000 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Hf",
"F"
],
"chemical_system": "F-Hf-K",
"density": 3.7941493452608146,
"density_atomic": 0.05547689827372687,
"volume": 324.45937967163826,
"volume_molar": 10.855222529360491,
"formula_full": "K4 Hf2 F12",
"formula_reduced": "K2HfF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0077833333333333,
"spacegroup": 128
},
{
"id": "jvasp-46991",
"created_at": "2022-09-04T14:38:04.082456Z",
"updated_at": "2022-09-04T14:38:04.082485Z",
"structure_string": "Mn6 O2 F10\n1.0\n4.816929 0.108846 -0.000000\n0.108846 4.816929 0.000000\n0.000000 -0.000000 9.686408\nMn O F\n6 2 10\ndirect\n0.015724 0.984277 0.011490 Mn\n0.016253 0.983749 0.333333 Mn\n0.015724 0.984277 0.655177 Mn\n0.514295 0.485706 0.833333 Mn\n0.478961 0.521040 0.169746 Mn\n0.478961 0.521040 0.496921 Mn\n0.189040 0.810961 0.175618 O\n0.189040 0.810961 0.491049 O\n0.791359 0.208642 0.178477 F\n0.698649 0.694112 0.665050 F\n0.687143 0.705162 0.333333 F\n0.698649 0.694112 0.001617 F\n0.204130 0.795871 0.833333 F\n0.294839 0.312858 0.333333 F\n0.305889 0.301352 0.001617 F\n0.791359 0.208642 0.488191 F\n0.305889 0.301352 0.665050 F\n0.824107 0.175894 0.833333 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.077562787745647,
"density_atomic": 0.08012924789401855,
"volume": 224.63707663657797,
"volume_molar": 7.515533863446555,
"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.63543629295977,
"spacegroup": 38
},
{
"id": "jvasp-48066",
"created_at": "2022-09-04T14:38:01.672980Z",
"updated_at": "2022-09-04T14:38:01.673007Z",
"structure_string": "Mn6 O8 F4\n1.0\n4.588954 0.011399 -0.007690\n0.189737 5.451014 0.060524\n0.225130 0.560639 7.449975\nMn O F\n6 8 4\ndirect\n0.505260 0.496805 0.985988 Mn\n0.491736 0.829318 0.670409 Mn\n0.531697 0.169217 0.344221 Mn\n0.009777 0.331539 0.670180 Mn\n0.955754 0.663983 0.324728 Mn\n0.003820 0.005435 0.004234 Mn\n0.187219 0.288527 0.898143 O\n0.300223 0.789671 0.898243 O\n0.314626 0.131377 0.567656 O\n0.700177 0.869103 0.439501 O\n0.692903 0.208859 0.102805 O\n0.802840 0.709332 0.104055 O\n0.812986 0.373857 0.434701 O\n0.691000 0.531505 0.764472 O\n0.196669 0.642365 0.549209 F\n0.795812 0.021551 0.765300 F\n0.300603 0.471870 0.230254 F\n0.206900 0.965682 0.245901 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.758972037911586,
"density_atomic": 0.09667336514137725,
"volume": 186.19399431970123,
"volume_molar": 6.229369124777119,
"formula_full": "Mn6 O8 F4",
"formula_reduced": "Mn3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.678479587681992,
"spacegroup": 1
},
{
"id": "jvasp-29536",
"created_at": "2022-09-04T14:37:54.115296Z",
"updated_at": "2022-09-04T14:37:54.115312Z",
"structure_string": "Cd6 I12\n1.0\n4.285873 0.000000 0.000000\n-2.142937 3.711676 -0.000000\n0.000000 -0.000000 41.277729\nCd I\n6 12\ndirect\n0.666666 0.333333 0.041665 Cd\n0.333333 0.666668 0.208351 Cd\n0.333333 0.666668 0.541686 Cd\n0.333333 0.666668 0.708356 Cd\n-0.000000 0.000000 0.374972 Cd\n0.333333 0.666668 0.874970 Cd\n-0.000000 0.000000 0.666342 I\n0.666666 0.333333 0.250368 I\n0.666666 0.333333 0.916979 I\n0.000000 -0.000000 -0.000365 I\n0.666666 0.333333 0.417001 I\n0.333333 0.666668 0.332974 I\n-0.000000 0.000000 0.832958 I\n-0.000000 0.000000 0.499675 I\n0.333333 0.666668 0.083667 I\n-0.000000 0.000000 0.166334 I\n0.666666 0.333333 0.583701 I\n0.666666 0.333333 0.750368 I\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.556702977199854,
"density_atomic": 0.02741241847872028,
"volume": 656.6366996758438,
"volume_molar": 21.968659075720986,
"formula_full": "Cd6 I12",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001066666666666,
"spacegroup": 164
},
{
"id": "jvasp-30230",
"created_at": "2022-09-04T14:38:00.845520Z",
"updated_at": "2022-09-04T14:38:00.845543Z",
"structure_string": "Co5 Sb1 O12\n1.0\n2.492246 4.329140 0.479935\n-2.520454 4.332954 0.239969\n0.414704 0.720360 8.743458\nCo Sb O\n5 1 12\ndirect\n0.166646 0.666708 0.500000 Co\n0.666669 0.666660 0.000000 Co\n0.333332 0.333338 0.000000 Co\n0.833354 0.333291 0.500001 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Sb\n0.037642 0.352736 0.886450 O\n0.315103 -0.000000 0.113544 O\n0.609621 0.352735 0.113551 O\n0.799303 0.666935 0.602623 O\n0.131425 0.000000 0.605412 O\n0.200697 0.333064 0.397378 O\n0.533762 0.666935 0.397378 O\n0.684896 0.000000 0.886457 O\n0.390379 0.647264 0.886450 O\n0.962358 0.647263 0.113551 O\n0.466238 0.333064 0.602623 O\n0.868575 -0.000000 0.394589 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"Sb",
"O"
],
"chemical_system": "Co-O-Sb",
"density": 5.371429581125775,
"density_atomic": 0.09569972434868165,
"volume": 188.0883160584356,
"volume_molar": 6.292746192307042,
"formula_full": "Co5 Sb1 O12",
"formula_reduced": "Co5SbO12",
"formula_anonymous": "AB5C12",
"energy_above_hull": 3.220488477777778,
"spacegroup": 12
},
{
"id": "jvasp-56461",
"created_at": "2022-09-04T14:37:42.907466Z",
"updated_at": "2022-09-04T14:37:42.907487Z",
"structure_string": "Ca6 Al4 N8\n1.0\n5.513739 -0.003589 0.154864\n0.141342 6.513723 1.639334\n-0.005555 -0.006147 6.718326\nCa Al N\n6 4 8\ndirect\n0.454930 0.252443 0.977541 Ca\n0.545071 0.747556 0.022458 Ca\n0.250000 0.601676 0.398323 Ca\n0.750000 0.398323 0.601677 Ca\n0.954929 0.977540 0.252443 Ca\n0.045072 0.022459 0.747557 Ca\n0.589371 0.823136 0.585649 Al\n0.410630 0.176863 0.414350 Al\n0.089371 0.585649 0.823137 Al\n0.910629 0.414350 0.176863 Al\n0.019542 0.697873 0.058381 N\n0.980459 0.302126 0.941618 N\n0.920362 0.736946 0.588108 N\n0.519543 0.058381 0.697873 N\n0.420362 0.588108 0.736946 N\n0.480458 0.941618 0.302126 N\n0.579638 0.411891 0.263053 N\n0.079639 0.263053 0.411892 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ca",
"Al",
"N"
],
"chemical_system": "Al-Ca-N",
"density": 3.1679394041102116,
"density_atomic": 0.07457957673369241,
"volume": 241.35293854340472,
"volume_molar": 8.074785381933403,
"formula_full": "Ca6 Al4 N8",
"formula_reduced": "Ca3(AlN2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.830446651111111,
"spacegroup": 15
}
]
}