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=volume&page=4417",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4415",
"results": [
{
"id": "jvasp-90902",
"created_at": "2022-09-04T14:36:01.578046Z",
"updated_at": "2022-09-04T14:36:01.578070Z",
"structure_string": "Ta4 Tl4 S12\n1.0\n3.521982 0.000000 0.000000\n-0.000000 9.292236 0.000000\n0.000000 0.000000 14.397911\nTa Tl S\n4 4 12\ndirect\n0.750000 0.838696 0.429087 Ta\n0.250000 0.161304 0.570913 Ta\n0.750000 0.338696 0.070913 Ta\n0.250000 0.661304 0.929087 Ta\n0.250000 0.968617 0.170378 Tl\n0.250000 0.468616 0.329622 Tl\n0.750000 0.531384 0.670378 Tl\n0.750000 0.031384 0.829622 Tl\n0.750000 0.810077 0.000125 S\n0.250000 0.189924 -0.000125 S\n0.250000 0.522698 0.099515 S\n0.750000 0.742472 0.285286 S\n0.250000 0.257529 0.714714 S\n0.750000 0.242472 0.214714 S\n0.250000 0.757529 0.785286 S\n0.750000 0.977302 0.599515 S\n0.250000 0.022698 0.400485 S\n0.750000 0.477302 0.900485 S\n0.250000 0.689924 0.500125 S\n0.750000 0.310076 0.499875 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ta",
"Tl",
"S"
],
"chemical_system": "S-Ta-Tl",
"density": 6.787692273747625,
"density_atomic": 0.042444668659758725,
"volume": 471.20169933053944,
"volume_molar": 14.18821479859853,
"formula_full": "Ta4 Tl4 S12",
"formula_reduced": "TaTlS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.32369036,
"spacegroup": 62
},
{
"id": "jvasp-13061",
"created_at": "2022-09-04T14:36:50.586321Z",
"updated_at": "2022-09-04T14:36:50.586340Z",
"structure_string": "Bi6 Se8 Br2\n1.0\n4.116838 -0.000000 -0.000000\n-2.058418 9.426982 -4.425897\n-0.000000 0.014800 12.142934\nBi Se Br\n6 8 2\ndirect\n0.089751 0.179502 0.965991 Bi\n0.910249 0.820498 0.034009 Bi\n0.673508 0.347015 0.738315 Bi\n0.326492 0.652984 0.261684 Bi\n0.148512 0.297026 0.410324 Bi\n0.851488 0.702974 0.589675 Bi\n0.417876 0.835753 0.511174 Se\n0.582124 0.164247 0.488825 Se\n0.689721 0.379442 0.023511 Se\n0.310279 0.620558 0.976489 Se\n0.074745 0.149491 0.726625 Se\n0.925255 0.850509 0.273374 Se\n0.254307 0.508614 0.643819 Se\n0.745693 0.491386 0.356180 Se\n0.455149 0.910298 0.834834 Br\n0.544851 0.089702 0.165166 Br\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Bi",
"Se",
"Br"
],
"chemical_system": "Bi-Br-Se",
"density": 7.202985345129584,
"density_atomic": 0.0339321555885059,
"volume": 471.5291357858739,
"volume_molar": 17.747592675898034,
"formula_full": "Bi6 Se8 Br2",
"formula_reduced": "Bi3Se4Br",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.1346175589583332,
"spacegroup": 12
},
{
"id": "jvasp-112540",
"created_at": "2022-09-04T14:38:42.021314Z",
"updated_at": "2022-09-04T14:38:42.021341Z",
"structure_string": "Dy6 Be2 Cr2 S14\n1.0\n9.490171 0.000000 0.000000\n-4.745085 8.218730 0.000000\n-0.000000 -0.000000 6.046699\nDy Be Cr S\n6 2 2 14\ndirect\n0.764691 0.158440 0.228279 Dy\n0.393748 0.235308 0.228279 Dy\n0.841559 0.606252 0.228279 Dy\n0.235308 0.841560 0.728279 Dy\n0.606252 0.764692 0.728279 Dy\n0.158440 0.393748 0.728279 Dy\n0.666666 0.333333 0.642373 Be\n0.333333 0.666667 0.142373 Be\n0.000000 0.000000 0.053845 Cr\n0.000000 0.000000 0.553845 Cr\n0.426435 0.524339 0.010048 S\n0.475660 0.902096 0.010048 S\n0.097903 0.573565 0.010048 S\n0.573564 0.475661 0.510048 S\n0.524339 0.097904 0.510048 S\n0.902096 0.426435 0.510048 S\n0.229554 0.132832 0.810212 S\n0.770445 0.867168 0.310212 S\n0.132831 0.903276 0.310212 S\n0.903276 0.770446 0.810212 S\n0.666666 0.333333 0.990245 S\n0.867168 0.096724 0.810212 S\n0.096724 0.229554 0.310212 S\n0.333333 0.666667 0.490245 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Dy",
"Be",
"Cr",
"S"
],
"chemical_system": "Be-Cr-Dy-S",
"density": 5.443031601294772,
"density_atomic": 0.05088785442533287,
"volume": 471.6253076697291,
"volume_molar": 11.834141619855902,
"formula_full": "Dy6 Be2 Cr2 S14",
"formula_reduced": "Dy3BeCrS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 2.306426916666666,
"spacegroup": 173
},
{
"id": "jvasp-116973",
"created_at": "2022-09-04T14:38:47.656930Z",
"updated_at": "2022-09-04T14:38:47.656959Z",
"structure_string": "Tm10 In8\n1.0\n9.134972 -0.000000 0.000000\n-4.567485 7.911119 0.000000\n-0.000000 -0.000000 6.526536\nTm In\n10 8\ndirect\n0.333333 0.666667 0.500000 Tm\n0.290661 0.290661 0.250000 Tm\n-0.000000 0.709339 0.250000 Tm\n-0.000000 0.290661 0.750000 Tm\n0.709339 0.000000 0.250000 Tm\n0.709338 0.709339 0.750000 Tm\n0.333333 0.666667 -0.000000 Tm\n0.666666 0.333333 -0.000000 Tm\n0.666666 0.333333 0.500000 Tm\n0.290661 0.000000 0.750000 Tm\n0.372436 0.372437 0.750000 In\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.627563 0.000000 0.750000 In\n0.372437 0.000000 0.250000 In\n-0.000000 0.627563 0.750000 In\n-0.000000 0.372437 0.250000 In\n0.627563 0.627563 0.250000 In\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Tm",
"In"
],
"chemical_system": "In-Tm",
"density": 9.181419722846522,
"density_atomic": 0.038163186475096936,
"volume": 471.65872828113413,
"volume_molar": 15.779973624397682,
"formula_full": "Tm10 In8",
"formula_reduced": "Tm5In4",
"formula_anonymous": "A4B5",
"energy_above_hull": 0.6530276574074074,
"spacegroup": 193
},
{
"id": "jvasp-97372",
"created_at": "2022-09-04T14:36:01.706333Z",
"updated_at": "2022-09-04T14:36:01.706362Z",
"structure_string": "Na16 Be8 O16\n1.0\n5.300912 0.000000 0.000000\n0.000000 7.772911 -1.224938\n0.000000 0.059079 11.439631\nNa Be O\n16 8 16\ndirect\n0.443226 0.661159 0.485103 Na\n0.558596 0.838861 0.014877 Na\n0.058597 0.161139 0.985123 Na\n0.948624 0.697660 0.624443 Na\n0.448624 0.302340 0.375557 Na\n0.382257 0.497023 0.918164 Na\n0.882256 0.502977 0.081835 Na\n0.119605 0.996998 0.418196 Na\n0.619605 0.003002 0.581804 Na\n0.168291 0.070497 0.715463 Na\n0.668291 0.929503 0.284537 Na\n0.333573 0.570445 0.215457 Na\n0.833572 0.429555 0.784543 Na\n0.053273 0.802323 0.875528 Na\n0.553273 0.197678 0.124471 Na\n0.943225 0.338841 0.514897 Na\n0.618424 0.134574 0.872710 Be\n0.118424 0.865426 0.127289 Be\n0.883386 0.634499 0.372718 Be\n0.383386 0.365501 0.627282 Be\n0.543384 0.879339 0.788610 Be\n0.043385 0.120661 0.211390 Be\n0.458538 0.620738 0.711368 Be\n0.958538 0.379262 0.288632 Be\n0.193427 0.693470 0.055507 O\n0.227175 0.479576 0.728178 O\n0.727174 0.520424 0.271822 O\n0.693427 0.306530 0.944493 O\n0.274650 0.979464 0.228198 O\n0.884873 0.981444 0.108583 O\n0.384873 0.018556 0.891416 O\n0.616978 0.481490 0.608575 O\n0.635337 0.696051 0.826898 O\n0.135337 0.303949 0.173101 O\n0.366565 0.804021 0.673075 O\n0.866565 0.195979 0.326925 O\n0.116978 0.518510 0.391425 O\n0.308414 0.193525 0.555520 O\n0.774650 0.020536 0.771801 O\n0.808414 0.806475 0.444480 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Na",
"Be",
"O"
],
"chemical_system": "Be-Na-O",
"density": 2.4496915036766733,
"density_atomic": 0.08479307264657604,
"volume": 471.7366496048921,
"volume_molar": 7.102161263928646,
"formula_full": "Na16 Be8 O16",
"formula_reduced": "Na2BeO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6882402199999997,
"spacegroup": 14
},
{
"id": "jvasp-120460",
"created_at": "2022-09-04T14:38:38.605996Z",
"updated_at": "2022-09-04T14:38:38.606027Z",
"structure_string": "U6 Bi8 Rh6\n1.0\n8.008477 0.000000 -2.831424\n-4.004238 6.935544 -2.831424\n0.000000 0.000000 8.494272\nU Bi Rh\n6 8 6\ndirect\n0.625000 0.375000 0.750000 U\n0.875000 0.125000 0.250000 U\n0.375000 0.750000 0.625000 U\n0.125000 0.250000 0.875000 U\n0.750000 0.625000 0.375000 U\n0.250000 0.874999 0.125000 U\n0.500000 0.179280 0.000000 Bi\n-0.000000 0.500000 0.179280 Bi\n0.179280 -0.000000 0.500000 Bi\n-0.000000 0.500000 0.679280 Bi\n0.320720 0.320720 0.320720 Bi\n0.500000 0.679280 0.000000 Bi\n0.679280 -0.000000 0.500000 Bi\n0.820720 0.820719 0.820720 Bi\n0.125000 0.874999 0.750000 Rh\n0.375000 0.625000 0.250000 Rh\n0.875000 0.750000 0.125001 Rh\n0.625000 0.250000 0.375000 Rh\n0.750000 0.125000 0.875000 Rh\n0.250000 0.375000 0.625000 Rh\n",
"nsites": 20,
"nelements": 3,
"elements": [
"U",
"Bi",
"Rh"
],
"chemical_system": "Bi-Rh-U",
"density": 13.08391054169312,
"density_atomic": 0.042390971341655266,
"volume": 471.798578022842,
"volume_molar": 14.206187236106983,
"formula_full": "U6 Bi8 Rh6",
"formula_reduced": "U3Bi4Rh3",
"formula_anonymous": "A3B3C4",
"energy_above_hull": 3.59090142,
"spacegroup": 220
},
{
"id": "jvasp-88376",
"created_at": "2022-09-04T14:36:14.422608Z",
"updated_at": "2022-09-04T14:36:14.422632Z",
"structure_string": "Ba4 V2 P4 O22\n1.0\n5.146441 0.000000 -0.057970\n0.000000 8.739930 0.000000\n0.015851 0.000000 10.493835\nBa V P O\n4 2 4 22\ndirect\n0.972573 0.982851 0.947419 Ba\n0.027427 0.482851 0.052580 Ba\n-0.005672 0.343732 0.613745 Ba\n0.005671 0.843732 0.386254 Ba\n0.559956 0.002796 0.673037 V\n0.440043 0.502796 0.326963 V\n0.530436 0.645147 0.590596 P\n0.469564 0.145147 0.409404 P\n0.498153 0.290149 0.853143 P\n0.501847 0.790149 0.146856 P\n0.643067 0.948148 0.150839 O\n0.762926 0.131775 0.420073 O\n0.237074 0.631775 0.579927 O\n0.345612 0.068030 0.289323 O\n0.654387 0.568030 0.710677 O\n0.211039 0.794506 0.118432 O\n0.788961 0.294506 0.881568 O\n0.659833 0.704481 0.046170 O\n0.340167 0.204481 0.953829 O\n0.356933 0.448148 0.849161 O\n0.543241 0.718861 0.284131 O\n0.337304 0.056783 0.523633 O\n0.376799 0.314133 0.423625 O\n0.623200 0.814133 0.576375 O\n0.930548 0.683118 0.837315 O\n0.456759 0.218861 0.715868 O\n0.126054 0.542891 0.304622 O\n0.873946 0.042891 0.695377 O\n0.546322 0.429767 0.191857 O\n0.453678 0.929767 0.808143 O\n0.662695 0.556783 0.476367 O\n0.069452 0.183118 0.162684 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Ba",
"V",
"P",
"O"
],
"chemical_system": "Ba-O-P-V",
"density": 3.9650120527822112,
"density_atomic": 0.0677943350265578,
"volume": 472.01584007667157,
"volume_molar": 8.882955718410516,
"formula_full": "Ba4 V2 P4 O22",
"formula_reduced": "Ba2VP2O11",
"formula_anonymous": "AB2C2D11",
"energy_above_hull": 2.6894847275000004,
"spacegroup": 4
},
{
"id": "jvasp-61912",
"created_at": "2022-09-04T14:35:43.795255Z",
"updated_at": "2022-09-04T14:35:43.795281Z",
"structure_string": "Zr6 Al16 Rh7\n1.0\n0.000000 6.179839 6.179839\n6.179839 0.000000 6.179839\n6.179839 6.179839 0.000000\nZr Al Rh\n6 16 7\ndirect\n0.688372 0.311628 0.688372 Zr\n0.688372 0.311628 0.311628 Zr\n0.311628 0.688372 0.688372 Zr\n0.311628 0.311628 0.688372 Zr\n0.688372 0.688372 0.311628 Zr\n0.311628 0.688372 0.311628 Zr\n0.012765 0.662412 0.662412 Al\n0.662412 0.012765 0.662412 Al\n0.662412 0.662412 0.662412 Al\n0.987235 0.337588 0.337588 Al\n0.119651 0.641049 0.119651 Al\n0.337588 0.337588 0.337588 Al\n0.119651 0.119651 0.119651 Al\n0.119651 0.119651 0.641049 Al\n0.641049 0.119651 0.119651 Al\n0.880349 0.880349 0.880349 Al\n0.337588 0.337588 0.987235 Al\n0.662412 0.662412 0.012765 Al\n0.880349 0.358951 0.880349 Al\n0.880349 0.880349 0.358951 Al\n0.358951 0.880349 0.880349 Al\n0.337588 0.987235 0.337588 Al\n0.000000 0.000000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.000000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Rh"
],
"chemical_system": "Al-Rh-Zr",
"density": 5.978330784314207,
"density_atomic": 0.061437922227619145,
"volume": 472.02117110274247,
"volume_molar": 9.801992876140549,
"formula_full": "Zr6 Al16 Rh7",
"formula_reduced": "Zr6Al16Rh7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 3.213375268965517,
"spacegroup": 225
},
{
"id": "jvasp-11195",
"created_at": "2022-09-04T14:37:14.448916Z",
"updated_at": "2022-09-04T14:37:14.448941Z",
"structure_string": "Hf2 P4 S12\n1.0\n6.767944 -0.069067 -1.223836\n-2.870420 6.129480 -1.223836\n-0.064959 -0.101007 11.476161\nHf P S\n2 4 12\ndirect\n0.599463 0.099463 0.198926 Hf\n0.849463 0.849463 0.698925 Hf\n0.636900 0.513016 0.376772 P\n0.739871 0.863755 0.376771 P\n0.613755 0.989871 0.876771 P\n0.263016 0.886901 0.876772 P\n0.662465 0.712444 0.860643 S\n0.198179 0.148198 0.860643 S\n0.987653 0.034605 0.537981 S\n0.550327 0.503375 0.537981 S\n0.784605 0.237653 0.037981 S\n0.376188 0.318444 0.227040 S\n0.850851 0.908595 0.227040 S\n0.658594 0.100851 0.727040 S\n0.068444 0.626188 0.727040 S\n0.462444 0.912465 0.360643 S\n0.898198 0.448178 0.360643 S\n0.253375 0.800327 0.037981 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Hf",
"P",
"S"
],
"chemical_system": "Hf-P-S",
"density": 3.044696112302958,
"density_atomic": 0.038126109811456005,
"volume": 472.1174042936691,
"volume_molar": 15.795319243901686,
"formula_full": "Hf2 P4 S12",
"formula_reduced": "Hf(PS3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.919861555555556,
"spacegroup": 43
},
{
"id": "jvasp-59218",
"created_at": "2022-09-04T14:38:10.996107Z",
"updated_at": "2022-09-04T14:38:10.996138Z",
"structure_string": "Ta4 V4 O20\n1.0\n5.597933 -0.000000 0.000000\n-0.000000 7.025854 0.000000\n0.000000 0.000000 12.006382\nTa V O\n4 4 20\ndirect\n0.250000 0.157649 0.558274 Ta\n0.750000 0.842350 0.441726 Ta\n0.750000 0.657649 0.941726 Ta\n0.250000 0.342351 0.058274 Ta\n0.250000 0.970334 0.845012 V\n0.750000 0.029666 0.154987 V\n0.750000 0.470334 0.654987 V\n0.250000 0.529665 0.345013 V\n0.500000 0.000000 0.500000 O\n0.000844 0.158023 0.123290 O\n0.500844 0.841976 0.876710 O\n0.499156 0.158023 0.123290 O\n0.499156 0.341976 0.623290 O\n-0.000844 0.841976 0.876710 O\n0.000000 0.000000 0.500000 O\n0.500844 0.658023 0.376710 O\n0.500000 0.500000 0.000000 O\n0.750000 0.974461 0.296495 O\n0.250000 0.474462 0.203505 O\n0.750000 0.525538 0.796495 O\n0.000844 0.341976 0.623290 O\n0.250000 0.025538 0.703505 O\n0.250000 0.320853 0.421764 O\n0.750000 0.679146 0.578236 O\n0.750000 0.820853 0.078236 O\n0.250000 0.179147 0.921764 O\n0.000000 0.500000 0.000000 O\n-0.000844 0.658023 0.376710 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ta",
"V",
"O"
],
"chemical_system": "O-Ta-V",
"density": 4.386988788792625,
"density_atomic": 0.05929513435452576,
"volume": 472.21412523644733,
"volume_molar": 10.156214039407695,
"formula_full": "Ta4 V4 O20",
"formula_reduced": "TaVO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 3.3755544142857143,
"spacegroup": 62
},
{
"id": "jvasp-110711",
"created_at": "2022-09-04T14:38:48.450036Z",
"updated_at": "2022-09-04T14:38:48.450063Z",
"structure_string": "Rb2 Tl2 I6\n1.0\n7.570462 -0.000000 4.370808\n2.523487 7.137500 4.370808\n-0.000000 -0.000000 8.741617\nRb Tl I\n2 2 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.750012 0.249988 0.249988 I\n0.249988 0.249988 0.750013 I\n0.249988 0.750012 0.750013 I\n0.249988 0.750012 0.249988 I\n0.750012 0.249988 0.750013 I\n0.750012 0.750012 0.249988 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Tl",
"I"
],
"chemical_system": "I-Rb-Tl",
"density": 4.714757692802167,
"density_atomic": 0.02117091947287777,
"volume": 472.34604112547294,
"volume_molar": 28.445343470863467,
"formula_full": "Rb2 Tl2 I6",
"formula_reduced": "RbTlI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-116549",
"created_at": "2022-09-04T14:38:43.874083Z",
"updated_at": "2022-09-04T14:38:43.874111Z",
"structure_string": "Pt2 N8 Cl8 O4\n1.0\n7.915230 -0.000000 0.000000\n0.000000 7.617795 0.013488\n-0.000000 -0.657092 7.833582\nPt N Cl O\n2 8 8 4\ndirect\n0.500000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.488175 0.183392 0.346476 N\n-0.011825 0.816608 0.153524 N\n0.511825 0.816608 0.653524 N\n0.011825 0.183392 0.846476 N\n0.483724 0.285880 0.253279 N\n0.983724 0.714120 0.246721 N\n0.516276 0.714120 0.746721 N\n0.016276 0.285880 0.753279 N\n0.710939 0.481031 0.009898 Cl\n0.210939 0.518968 0.490102 Cl\n0.289061 0.518968 -0.009898 Cl\n0.789061 0.481032 0.509898 Cl\n0.792146 0.022414 0.500048 Cl\n0.207855 -0.022414 0.499952 Cl\n0.292145 -0.022414 -0.000048 Cl\n0.707855 0.022414 0.000048 Cl\n0.677944 0.582598 0.382144 O\n0.322056 0.417401 0.617856 O\n0.822056 0.582598 0.882144 O\n0.177944 0.417401 0.117856 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Pt",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-N-O-Pt",
"density": 2.9872405124036496,
"density_atomic": 0.04656986404427247,
"volume": 472.40850819502737,
"volume_molar": 12.931411511691218,
"formula_full": "Pt2 N8 Cl8 O4",
"formula_reduced": "PtN4(Cl2O)2",
"formula_anonymous": "AB2C4D4",
"energy_above_hull": 3.1402261518181818,
"spacegroup": 14
}
]
}