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=603",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=601",
"results": [
{
"id": "jvasp-12161",
"created_at": "2022-09-04T14:38:00.885367Z",
"updated_at": "2022-09-04T14:38:00.885390Z",
"structure_string": "Hg4 P4 Se12\n1.0\n6.547098 -0.000000 0.986293\n3.273550 5.785958 0.493147\n0.027675 0.000000 13.825192\nHg P Se\n4 4 12\ndirect\n0.768136 0.813732 0.064686 Hg\n0.231864 0.186268 0.935314 Hg\n0.581869 0.186268 0.564686 Hg\n0.418132 0.813732 0.435314 Hg\n0.529971 0.532783 0.915946 P\n0.062753 0.467218 0.415946 P\n0.470030 0.467218 0.084054 P\n0.937248 0.532783 0.584054 P\n0.171750 0.393232 0.112893 Se\n0.564983 0.606768 0.612893 Se\n0.828250 0.606768 0.887107 Se\n0.035828 0.163727 0.375961 Se\n0.964173 0.836274 0.624039 Se\n0.199555 0.836274 0.875961 Se\n0.387758 0.781722 0.159963 Se\n0.830521 0.781722 0.340037 Se\n0.612243 0.218279 0.840036 Se\n0.169480 0.218279 0.659963 Se\n0.435018 0.393232 0.387107 Se\n0.800446 0.163727 0.124039 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hg",
"P",
"Se"
],
"chemical_system": "Hg-P-Se",
"density": 5.942952300842857,
"density_atomic": 0.03820020480709226,
"volume": 523.5574024013293,
"volume_molar": 15.764681866003837,
"formula_full": "Hg4 P4 Se12",
"formula_reduced": "HgPSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.15588204,
"spacegroup": 15
},
{
"id": "jvasp-57078",
"created_at": "2022-09-04T14:37:49.298353Z",
"updated_at": "2022-09-04T14:37:49.298374Z",
"structure_string": "Na6 Cr2 F12\n1.0\n0.000000 5.472096 -0.007870\n5.738098 0.000000 0.000000\n0.000000 -5.407881 -7.896032\nNa Cr F\n6 2 12\ndirect\n0.726299 0.562308 0.745516 Na\n0.273702 0.062308 0.754484 Na\n0.273702 0.437692 0.254484 Na\n0.726299 0.937693 0.245516 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n-0.000000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.893441 0.555118 0.273034 F\n0.106560 0.055118 0.226966 F\n0.341096 0.177655 0.054204 F\n0.658905 0.677655 0.445796 F\n0.658905 0.822346 0.945796 F\n0.238783 0.720502 0.071732 F\n0.761217 0.279498 0.928267 F\n0.238783 0.779499 0.571732 F\n0.893441 0.944883 0.773034 F\n0.761217 0.220502 0.428267 F\n0.341095 0.322346 0.554204 F\n0.106560 0.444883 0.726966 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Cr",
"F"
],
"chemical_system": "Cr-F-Na",
"density": 3.144178343977166,
"density_atomic": 0.08058827400477318,
"volume": 248.17506327056233,
"volume_molar": 7.472725820686161,
"formula_full": "Na6 Cr2 F12",
"formula_reduced": "Na3CrF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-57073",
"created_at": "2022-09-04T14:37:43.430817Z",
"updated_at": "2022-09-04T14:37:43.430838Z",
"structure_string": "Ca4 Si4 O12\n1.0\n5.091862 -0.000000 0.000000\n0.000000 5.110835 0.000000\n0.000000 0.000000 7.174208\nCa Si O\n4 4 12\ndirect\n0.499248 0.999140 0.250000 Ca\n0.500752 0.000861 0.750000 Ca\n0.999248 0.500862 0.250000 Ca\n0.000752 0.499139 0.750000 Ca\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.248637 0.748637 0.481177 O\n0.251362 0.248636 0.518824 O\n0.499867 0.536716 0.750000 O\n0.751362 0.251364 0.981177 O\n0.500133 0.463284 0.250000 O\n0.251362 0.248636 0.981177 O\n0.751362 0.251364 0.518824 O\n0.999866 0.963285 0.750000 O\n0.748637 0.751365 0.018823 O\n0.748637 0.751365 0.481177 O\n0.000133 0.036716 0.250000 O\n0.248637 0.748637 0.018823 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-O-Si",
"density": 4.132659260137013,
"density_atomic": 0.10712418889471798,
"volume": 186.69919657133713,
"volume_molar": 5.621644207657507,
"formula_full": "Ca4 Si4 O12",
"formula_reduced": "CaSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.506359904,
"spacegroup": 74
},
{
"id": "jvasp-4285",
"created_at": "2022-09-04T14:38:02.159002Z",
"updated_at": "2022-09-04T14:38:02.159019Z",
"structure_string": "Sb8 S12\n1.0\n3.889911 0.000000 0.000000\n0.000000 11.199032 0.000000\n0.000000 0.000000 11.472339\nSb S\n8 12\ndirect\n0.750000 0.964672 0.349747 Sb\n0.250000 0.035328 0.650253 Sb\n0.250000 0.464672 0.150253 Sb\n0.750000 0.535328 0.849747 Sb\n0.250000 0.673232 0.474348 Sb\n0.750000 0.326768 0.525653 Sb\n0.750000 0.173232 0.025652 Sb\n0.250000 0.826768 0.974348 Sb\n0.750000 0.307923 0.207929 S\n0.250000 0.692076 0.792071 S\n0.750000 0.625150 0.049795 S\n0.250000 0.374849 0.950205 S\n0.250000 0.125150 0.450205 S\n0.250000 0.440665 0.624157 S\n0.750000 0.940664 0.875843 S\n0.250000 0.059335 0.124157 S\n0.750000 0.192077 0.707929 S\n0.750000 0.559335 0.375843 S\n0.750000 0.874849 0.549795 S\n0.250000 0.807923 0.292071 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"S"
],
"chemical_system": "S-Sb",
"density": 4.514936952093696,
"density_atomic": 0.04001822977706276,
"volume": 499.7722315908985,
"volume_molar": 15.048493632898548,
"formula_full": "Sb8 S12",
"formula_reduced": "Sb2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.83011044,
"spacegroup": 62
},
{
"id": "jvasp-46099",
"created_at": "2022-09-04T14:38:02.491789Z",
"updated_at": "2022-09-04T14:38:02.491820Z",
"structure_string": "Mg4 Sn4 O12\n1.0\n5.316359 -0.000000 0.000000\n0.000000 5.437297 0.000000\n0.000000 0.000000 7.816916\nMg Sn O\n4 4 12\ndirect\n0.998066 0.958152 0.750000 Mg\n0.501935 0.458152 0.750000 Mg\n0.498066 0.541848 0.250000 Mg\n0.001935 0.041848 0.250000 Mg\n0.000000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.830162 0.824719 0.071954 O\n0.669838 0.324719 0.428046 O\n0.669838 0.324719 0.071954 O\n0.635294 0.088538 0.750000 O\n0.364706 0.911462 0.250000 O\n0.169838 0.175281 0.571955 O\n0.330162 0.675282 0.571955 O\n0.169838 0.175281 0.928046 O\n0.830162 0.824719 0.428046 O\n0.135294 0.411462 0.250000 O\n0.330162 0.675282 0.928046 O\n0.864707 0.588538 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 5.614869513404082,
"density_atomic": 0.08851098921550271,
"volume": 225.9606425966483,
"volume_molar": 6.80383397968534,
"formula_full": "Mg4 Sn4 O12",
"formula_reduced": "MgSnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.00405625,
"spacegroup": 62
},
{
"id": "jvasp-30384",
"created_at": "2022-09-04T14:37:50.569566Z",
"updated_at": "2022-09-04T14:37:50.569590Z",
"structure_string": "V4 O4 F12\n1.0\n-4.969093 -0.005660 0.315219\n0.006007 -5.446579 0.003752\n-0.535320 0.006003 9.182925\nV O F\n4 4 12\ndirect\n0.750007 0.577437 0.749989 V\n0.500000 0.000000 0.500000 V\n0.249992 0.422563 0.250011 V\n0.000000 0.000000 0.000000 V\n0.869585 0.772107 0.871251 O\n0.630580 0.771946 0.628588 O\n0.369418 0.228054 0.371412 O\n0.130414 0.227893 0.128749 O\n0.178498 0.991123 0.606771 F\n0.321476 0.991530 0.893194 F\n0.396319 0.747769 0.388996 F\n0.451025 0.471956 0.851357 F\n0.548974 0.528044 0.148643 F\n0.896008 0.252421 0.889225 F\n0.678523 0.008471 0.106805 F\n0.821500 0.008877 0.393228 F\n0.103991 0.747580 0.110774 F\n0.951117 0.528476 0.351313 F\n0.603680 0.252232 0.611003 F\n0.048882 0.471525 0.648687 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.324552500998025,
"density_atomic": 0.08077114569981206,
"volume": 247.61317704134706,
"volume_molar": 7.455807030868961,
"formula_full": "V4 O4 F12",
"formula_reduced": "VOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8127417094999999,
"spacegroup": 13
},
{
"id": "jvasp-36701",
"created_at": "2022-09-04T14:38:02.607307Z",
"updated_at": "2022-09-04T14:38:02.607317Z",
"structure_string": "Ba4 Re4 N12\n1.0\n-3.212899 5.194850 -0.964306\n-6.054291 -5.186659 -0.097502\n-0.027330 0.038923 7.972648\nBa Re N\n4 4 12\ndirect\n0.750000 0.328142 0.671858 Ba\n0.250000 0.098923 0.901077 Ba\n0.250000 0.671858 0.328142 Ba\n0.750000 0.901077 0.098923 Ba\n0.238639 0.203667 0.370217 Re\n0.261360 0.629783 0.796333 Re\n0.738640 0.370217 0.203666 Re\n0.761360 0.796333 0.629783 Re\n0.016273 0.682154 0.640219 N\n0.820544 0.578711 0.144099 N\n0.179455 0.421289 0.855901 N\n0.320544 0.144099 0.578711 N\n0.679388 0.235057 0.018326 N\n0.516273 0.640219 0.682154 N\n0.820611 0.981674 0.764943 N\n0.483727 0.359781 0.317846 N\n0.983727 0.317847 0.359781 N\n0.320611 0.764944 0.981674 N\n0.679455 0.855901 0.421289 N\n0.179388 0.018326 0.235056 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Re",
"N"
],
"chemical_system": "Ba-N-Re",
"density": 6.323548629267384,
"density_atomic": 0.052087091844016144,
"volume": 383.9722912519954,
"volume_molar": 11.561675929296163,
"formula_full": "Ba4 Re4 N12",
"formula_reduced": "BaReN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.596794744,
"spacegroup": 15
},
{
"id": "jvasp-4714",
"created_at": "2022-09-04T14:37:55.297458Z",
"updated_at": "2022-09-04T14:37:55.297485Z",
"structure_string": "Na2 Yb2 P4 S12\n1.0\n7.185695 -0.050108 -0.089868\n0.204145 7.222423 -0.036813\n2.343764 0.312327 9.139042\nYb Na P S\n2 2 4 12\ndirect\n0.956200 0.118553 0.725824 Yb\n0.043801 0.881447 0.274175 Yb\n0.517013 0.382111 0.313468 Na\n0.482988 0.617889 0.686532 Na\n0.719908 0.021371 0.072139 P\n0.280093 0.978629 0.927861 P\n0.055742 0.608079 0.562350 P\n0.944259 0.391921 0.437650 P\n0.697622 0.297266 0.574775 S\n0.302378 0.702733 0.425225 S\n0.856490 0.817285 0.957271 S\n0.153366 0.189648 0.420838 S\n0.092438 0.486199 0.750471 S\n0.656021 0.248150 0.971938 S\n0.344305 0.995702 0.713495 S\n0.907563 0.513800 0.249529 S\n0.143511 0.182715 0.042729 S\n0.655696 0.004298 0.286505 S\n0.846635 0.810352 0.579162 S\n0.343980 0.751850 0.028062 S\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Yb",
"Na",
"P",
"S"
],
"chemical_system": "Na-P-S-Yb",
"density": 3.1422694669891045,
"density_atomic": 0.0420172364311393,
"volume": 475.9951319686948,
"volume_molar": 14.33254842895128,
"formula_full": "Na2 Yb2 P4 S12",
"formula_reduced": "NaYb(PS3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.80921907,
"spacegroup": 2
},
{
"id": "jvasp-40215",
"created_at": "2022-09-04T14:38:01.306876Z",
"updated_at": "2022-09-04T14:38:01.306910Z",
"structure_string": "Ca4 Sn4 S12\n1.0\n0.000000 7.288451 0.110962\n9.942473 0.000000 0.000000\n0.000000 -1.334902 -7.171942\nCa Sn S\n4 4 12\ndirect\n0.763990 0.391626 0.103984 Ca\n0.736010 0.891626 0.896017 Ca\n0.236010 0.608374 0.896017 Ca\n0.263990 0.108374 0.103983 Ca\n0.011102 0.807795 0.359955 Sn\n0.488898 0.307795 0.640045 Sn\n0.988898 0.192204 0.640045 Sn\n0.511102 0.692204 0.359955 Sn\n0.564749 0.158832 0.908413 S\n0.935251 0.658832 0.091588 S\n0.434586 0.479537 0.221298 S\n0.065414 0.979537 0.778702 S\n0.565414 0.520463 0.778702 S\n0.318698 0.786440 0.571647 S\n0.681302 0.213559 0.428353 S\n0.818698 0.713559 0.571647 S\n0.064749 0.341168 0.908413 S\n0.181302 0.286441 0.428353 S\n0.934586 0.020463 0.221298 S\n0.435251 0.841168 0.091587 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.2680319128341706,
"density_atomic": 0.03859188297663099,
"volume": 518.2436942014682,
"volume_molar": 15.604682372318189,
"formula_full": "Ca4 Sn4 S12",
"formula_reduced": "CaSnS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.984126424,
"spacegroup": 14
},
{
"id": "jvasp-46695",
"created_at": "2022-09-04T14:38:01.163131Z",
"updated_at": "2022-09-04T14:38:01.163159Z",
"structure_string": "V4 O4 F12\n1.0\n5.237929 -0.000000 0.000000\n0.000000 5.237929 0.000000\n0.000000 -0.000000 9.022202\nV O F\n4 4 12\ndirect\n0.105183 0.440049 0.503895 V\n0.440049 0.894817 0.253895 V\n0.559951 0.105183 0.753895 V\n0.894817 0.559951 0.003895 V\n0.059022 0.701504 0.587492 O\n0.298496 0.059022 0.837492 O\n0.701504 0.940978 0.337492 O\n0.940978 0.298496 0.087492 O\n0.780214 0.942181 0.876138 F\n0.665649 0.427313 0.851080 F\n0.560685 0.858262 0.622669 F\n0.572687 0.665649 0.101080 F\n0.427313 0.334351 0.601080 F\n0.141738 0.560685 0.872668 F\n0.334351 0.572687 0.351080 F\n0.219786 0.057819 0.376139 F\n0.858262 0.439315 0.372669 F\n0.057819 0.780214 0.126139 F\n0.439315 0.141738 0.122669 F\n0.942181 0.219786 0.626139 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.3256396331995535,
"density_atomic": 0.08079755795030841,
"volume": 247.53223373781015,
"volume_molar": 7.453369771031569,
"formula_full": "V4 O4 F12",
"formula_reduced": "VOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8026577094999999,
"spacegroup": 76
},
{
"id": "jvasp-32273",
"created_at": "2022-09-04T14:38:01.641195Z",
"updated_at": "2022-09-04T14:38:01.641210Z",
"structure_string": "Bi2 Cl2 F16\n1.0\n5.085801 -0.084131 -0.421873\n-0.316959 5.709180 -0.104930\n-0.123874 0.034153 10.508914\nBi Cl F\n2 2 16\ndirect\n0.000000 0.000000 0.000000 Bi\n0.000000 -0.000000 0.500000 Bi\n0.570834 0.603236 0.248426 Cl\n0.429166 0.396764 0.751574 Cl\n0.188225 0.325905 0.570256 F\n0.811775 0.674095 0.429743 F\n0.118130 0.218813 0.851085 F\n0.881870 0.781187 0.148915 F\n0.642191 0.951568 0.894986 F\n0.357809 0.048432 0.105014 F\n0.818687 0.170812 0.351535 F\n0.644648 0.531961 0.669013 F\n0.355353 0.468039 0.330987 F\n0.601019 0.448166 0.888579 F\n0.398981 0.551834 0.111420 F\n0.300563 0.947727 0.390457 F\n0.699437 0.052273 0.609542 F\n0.181313 0.829187 0.648464 F\n0.888281 0.288174 0.090872 F\n0.111719 0.711826 0.909128 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Bi",
"Cl",
"F"
],
"chemical_system": "Bi-Cl-F",
"density": 4.322527229214237,
"density_atomic": 0.0656647655072381,
"volume": 304.57734594050197,
"volume_molar": 9.171038247804587,
"formula_full": "Bi2 Cl2 F16",
"formula_reduced": "BiClF8",
"formula_anonymous": "ABC8",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-32241",
"created_at": "2022-09-04T14:37:56.624755Z",
"updated_at": "2022-09-04T14:37:56.624773Z",
"structure_string": "Sb2 Cl2 F16\n1.0\n5.084033 0.220909 -0.315084\n0.065553 5.599531 -0.009087\n-0.252552 0.249718 10.296942\nSb Cl F\n2 2 16\ndirect\n0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.574860 0.394005 0.748997 Cl\n0.425139 0.605996 0.251002 Cl\n0.885356 0.728460 0.589060 F\n0.114643 0.271540 0.410939 F\n0.820755 0.836460 0.862209 F\n0.179244 0.163540 0.137791 F\n0.879368 0.211772 0.635942 F\n0.120631 0.788228 0.364058 F\n0.280973 0.045116 0.893127 F\n0.397634 0.455134 0.613986 F\n0.602366 0.544866 0.386013 F\n0.373801 0.527168 0.840439 F\n0.626198 0.472833 0.159561 F\n0.668280 0.041339 0.399549 F\n0.331720 0.958661 0.600451 F\n0.719026 0.954884 0.106873 F\n0.170620 0.691655 0.067414 F\n0.829379 0.308345 0.932586 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sb",
"Cl",
"F"
],
"chemical_system": "Cl-F-Sb",
"density": 3.5101231877576082,
"density_atomic": 0.06836494342105429,
"volume": 292.5475982159684,
"volume_molar": 8.808814077282435,
"formula_full": "Sb2 Cl2 F16",
"formula_reduced": "SbClF8",
"formula_anonymous": "ABC8",
"energy_above_hull": 0.0,
"spacegroup": 2
}
]
}