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=-formula_anonymous&page=95",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=93",
"results": [
{
"id": "jvasp-52311",
"created_at": "2022-09-04T14:37:08.026935Z",
"updated_at": "2022-09-04T14:37:08.026962Z",
"structure_string": "Li2 Cu2 B2 O6\n1.0\n5.227227 -0.026754 -0.040890\n-2.589220 4.543112 0.027811\n-2.359231 -1.388093 4.772776\nLi Cu B O\n2 2 2 6\ndirect\n0.469038 0.394955 0.708686 Li\n0.530964 0.605046 0.291315 Li\n0.153884 0.774754 0.742994 Cu\n0.846118 0.225247 0.257007 Cu\n0.826121 0.083845 0.749012 B\n0.173881 0.916156 0.250989 B\n0.047991 0.315840 0.679457 O\n0.642670 0.140546 0.841094 O\n0.764727 0.795410 0.709265 O\n0.235275 0.204591 0.290736 O\n0.357332 0.859455 0.158907 O\n0.952011 0.684162 0.320544 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Cu",
"B",
"O"
],
"chemical_system": "B-Cu-Li-O",
"density": 3.812474256745739,
"density_atomic": 0.1065426050847594,
"volume": 112.63099856112457,
"volume_molar": 5.652331060620414,
"formula_full": "Li2 Cu2 B2 O6",
"formula_reduced": "LiCuBO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.904542255555556,
"spacegroup": 2
},
{
"id": "jvasp-52314",
"created_at": "2022-09-04T14:36:49.163159Z",
"updated_at": "2022-09-04T14:36:49.163194Z",
"structure_string": "Li2 Cu2 C2 O6\n1.0\n3.550881 0.020596 -0.381706\n-0.623539 -4.456754 0.310720\n0.861091 0.669024 -8.556231\nLi Cu C O\n2 2 2 6\ndirect\n0.839821 0.189104 0.634423 Li\n0.160139 0.810833 0.365465 Li\n-0.000020 0.499967 0.999938 Cu\n0.499972 -0.000022 0.999938 Cu\n0.214962 0.769630 0.716177 C\n0.784999 0.230306 0.283700 C\n0.058281 0.524655 0.779788 O\n0.149362 0.812505 0.583583 O\n0.439023 0.977855 0.790185 O\n0.941683 0.475278 0.220085 O\n0.850585 0.187433 0.416299 O\n0.560939 0.022071 0.209694 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Cu",
"C",
"O"
],
"chemical_system": "C-Cu-Li-O",
"density": 3.2522491571644174,
"density_atomic": 0.09005111525099475,
"volume": 133.2576500196919,
"volume_molar": 6.687469381378345,
"formula_full": "Li2 Cu2 C2 O6",
"formula_reduced": "LiCuCO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.260570158333333,
"spacegroup": 2
},
{
"id": "jvasp-29488",
"created_at": "2022-09-04T14:38:17.094320Z",
"updated_at": "2022-09-04T14:38:17.094331Z",
"structure_string": "Au4 Se4 Cl4 O12\n1.0\n4.189923 0.005270 0.117821\n0.390869 9.677312 1.665637\n0.092445 0.058945 10.675036\nAu Se Cl O\n4 4 4 12\ndirect\n0.006982 0.577249 0.189501 Au\n0.000000 0.000000 0.000000 Au\n0.993016 0.422751 0.810500 Au\n-0.000001 -0.000000 0.500000 Au\n0.694518 0.862237 0.275483 Se\n0.226910 0.714395 0.898792 Se\n0.773089 0.285604 0.101209 Se\n0.305481 0.137763 0.724518 Se\n0.276940 0.199312 0.433340 Cl\n0.723058 0.800687 0.566660 Cl\n0.346564 0.501422 0.649125 Cl\n0.653434 0.498577 0.350876 Cl\n0.374591 0.049679 0.878243 O\n0.625408 0.950321 0.121758 O\n0.653482 0.354610 0.948122 O\n0.035898 0.759349 0.249019 O\n0.087336 0.169872 0.070798 O\n0.070079 0.395848 0.129301 O\n0.912662 0.830127 0.929203 O\n0.346516 0.645389 0.051879 O\n0.964101 0.240650 0.750982 O\n0.918522 0.993740 0.317242 O\n0.929919 0.604152 0.870700 O\n0.081477 0.006259 0.682759 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Au",
"Se",
"Cl",
"O"
],
"chemical_system": "Au-Cl-O-Se",
"density": 5.521632907560738,
"density_atomic": 0.05551603934499917,
"volume": 432.3074967732167,
"volume_molar": 10.847569154881489,
"formula_full": "Au4 Se4 Cl4 O12",
"formula_reduced": "AuSeClO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.607540917361111,
"spacegroup": 2
},
{
"id": "jvasp-51056",
"created_at": "2022-09-04T14:38:36.232029Z",
"updated_at": "2022-09-04T14:38:36.232061Z",
"structure_string": "Cu4 As4 Pb4 S12\n1.0\n0.000000 8.125979 -0.000018\n7.698503 0.000000 0.000000\n0.000000 -0.000019 -8.793964\nCu As Pb S\n4 4 4 12\ndirect\n0.276733 0.759958 0.569198 Cu\n0.723264 0.259959 0.069198 Cu\n0.723264 0.740041 0.069198 Cu\n0.276733 0.240041 0.569198 Cu\n0.935818 0.000000 0.424195 As\n0.503502 0.500000 0.339754 As\n0.496496 0.000000 0.839754 As\n0.064180 0.500000 0.924195 As\n0.556083 0.500000 0.808856 Pb\n0.443915 0.000000 0.308856 Pb\n0.078430 0.000000 -0.000034 Pb\n0.921568 0.500000 0.499966 Pb\n0.221677 0.500000 0.702776 S\n0.247674 0.000000 0.716780 S\n0.559459 0.274985 0.506652 S\n0.440539 0.774985 0.006652 S\n0.559459 0.725015 0.506652 S\n0.893621 0.729309 0.855428 S\n0.893621 0.270691 0.855428 S\n0.106378 0.229309 0.355428 S\n0.440539 0.225015 0.006652 S\n0.752323 0.500000 0.216780 S\n0.778321 0.000000 0.202776 S\n0.106378 0.770690 0.355428 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Cu",
"As",
"Pb",
"S"
],
"chemical_system": "As-Cu-Pb-S",
"density": 5.334941604810524,
"density_atomic": 0.04362591805912328,
"volume": 550.1316893199682,
"volume_molar": 13.804043623422656,
"formula_full": "Cu4 As4 Pb4 S12",
"formula_reduced": "CuAsPbS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.3862905033333333,
"spacegroup": 31
},
{
"id": "jvasp-57144",
"created_at": "2022-09-04T14:38:34.863846Z",
"updated_at": "2022-09-04T14:38:34.863868Z",
"structure_string": "Na3 Li3 C3 O9\n1.0\n4.136493 -7.164616 0.000000\n4.136493 7.164616 0.000000\n-0.000000 0.000000 3.303635\nNa Li C O\n3 3 3 9\ndirect\n0.964549 0.635145 0.499999 Na\n0.670596 0.035450 0.499999 Na\n0.364854 0.329403 0.499999 Na\n0.641102 0.700044 0.000000 Li\n0.299955 0.941058 0.000000 Li\n0.058942 0.358898 0.000000 Li\n0.666667 0.333333 0.000000 C\n0.333333 0.666667 0.499999 C\n0.000000 0.000000 0.000000 C\n0.842750 0.385242 0.000000 O\n0.498702 0.685633 0.499999 O\n0.542494 0.157249 0.000000 O\n0.036139 0.864415 0.000000 O\n0.314366 0.813069 0.499999 O\n0.186930 0.501297 0.499999 O\n0.135585 0.171724 0.000000 O\n0.614757 0.457506 0.000000 O\n0.828275 0.963860 0.000000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Na",
"Li",
"C",
"O"
],
"chemical_system": "C-Li-Na-O",
"density": 2.288096685132708,
"density_atomic": 0.09192322203602644,
"volume": 195.81559046032416,
"volume_molar": 6.551272493081028,
"formula_full": "Na3 Li3 C3 O9",
"formula_reduced": "NaLiCO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.12707825,
"spacegroup": 174
},
{
"id": "jvasp-28956",
"created_at": "2022-09-04T14:38:34.798590Z",
"updated_at": "2022-09-04T14:38:34.798610Z",
"structure_string": "Mo2 W2 Se6 S2\n1.0\n3.291174 0.000000 0.000000\n-1.645587 2.850241 -0.000017\n-0.000002 -0.000203 35.002443\nMo W Se S\n2 2 6 2\ndirect\n0.333341 0.666682 0.468623 Mo\n0.666664 0.333331 0.279574 Mo\n0.333323 0.666649 0.096597 W\n0.666668 0.333338 0.658127 W\n0.333330 0.666663 0.327745 Se\n0.333339 0.666680 0.706527 Se\n0.666671 0.333342 0.420447 Se\n0.666677 0.333354 0.516791 Se\n0.333333 0.666668 0.231414 Se\n0.333332 0.666665 0.609664 Se\n0.666649 0.333300 0.052560 S\n0.666664 0.333330 0.140677 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.5501287363815255,
"density_atomic": 0.03654689306828847,
"volume": 328.3452844425873,
"volume_molar": 16.477846006629157,
"formula_full": "Mo2 W2 Se6 S2",
"formula_reduced": "MoWSe3S",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.591847666666666,
"spacegroup": 156
},
{
"id": "jvasp-107013",
"created_at": "2022-09-04T14:36:53.538064Z",
"updated_at": "2022-09-04T14:36:53.538085Z",
"structure_string": "Zr1 Sc1 Mn1 Ni3\n1.0\n4.283119 -0.000000 -2.479719\n-1.423741 4.039563 2.479719\n-0.023775 0.016829 4.897824\nZr Sc Mn Ni\n1 1 1 3\ndirect\n0.997323 0.002676 0.991971 Zr\n0.251248 0.748751 0.753745 Sc\n0.625198 0.374801 0.875595 Mn\n0.625020 0.374979 0.376228 Ni\n0.625020 0.873812 0.376228 Ni\n0.126187 0.374979 0.376228 Ni\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Zr",
"Sc",
"Mn",
"Ni"
],
"chemical_system": "Mn-Ni-Sc-Zr",
"density": 7.225831217859582,
"density_atomic": 0.07110325346811118,
"volume": 84.38432430790128,
"volume_molar": 8.469571315327851,
"formula_full": "Zr1 Sc1 Mn1 Ni3",
"formula_reduced": "ZrScMnNi3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.567460698563218,
"spacegroup": 160
},
{
"id": "jvasp-57632",
"created_at": "2022-09-04T14:37:28.291767Z",
"updated_at": "2022-09-04T14:37:28.291794Z",
"structure_string": "K2 Pr2 Pd2 O6\n1.0\n3.974641 0.000000 0.000000\n-1.987320 6.472343 -1.747191\n0.000000 -0.004180 7.426466\nK Pr Pd O\n2 2 2 6\ndirect\n0.643722 0.287444 0.565306 K\n0.356278 0.712556 0.434694 K\n0.350397 0.700793 0.919142 Pr\n0.649603 0.299206 0.080858 Pr\n0.993717 0.987433 0.231580 Pd\n0.006283 0.012566 0.768421 Pd\n0.167466 0.334932 0.863077 O\n0.152138 0.304277 0.285849 O\n0.506449 0.012898 0.804061 O\n0.847861 0.695723 0.714151 O\n0.832534 0.665068 0.136923 O\n0.493550 0.987102 0.195940 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Pr",
"Pd",
"O"
],
"chemical_system": "K-O-Pd-Pr",
"density": 5.814348877245955,
"density_atomic": 0.06282111033899343,
"volume": 191.0185912863678,
"volume_molar": 9.586173704195136,
"formula_full": "K2 Pr2 Pd2 O6",
"formula_reduced": "KPrPdO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.4302656749999998,
"spacegroup": 12
},
{
"id": "jvasp-26822",
"created_at": "2022-09-04T14:38:29.398283Z",
"updated_at": "2022-09-04T14:38:29.398294Z",
"structure_string": "Rb2 Na2 Ti2 O6\n1.0\n5.572901 0.044293 0.142124\n0.259858 5.191380 2.793718\n0.026897 -0.010361 6.249093\nRb Na Ti O\n2 2 2 6\ndirect\n0.250000 0.266694 0.466610 Rb\n0.750000 0.733305 0.533390 Rb\n0.250001 0.575718 0.848563 Na\n0.750000 0.424282 0.151436 Na\n0.750000 0.051855 0.896290 Ti\n0.250000 0.948145 0.103710 Ti\n0.002165 0.227106 0.976056 O\n0.497836 0.796838 0.976056 O\n0.750000 0.212975 0.574049 O\n0.997835 0.772894 0.023944 O\n0.502165 0.203161 0.023944 O\n0.250000 0.787024 0.425951 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Ti",
"O"
],
"chemical_system": "Na-O-Rb-Ti",
"density": 3.7518082642704713,
"density_atomic": 0.06634772294657117,
"volume": 180.8652877155019,
"volume_molar": 9.07663517683876,
"formula_full": "Rb2 Na2 Ti2 O6",
"formula_reduced": "RbNaTiO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.298897972222222,
"spacegroup": 15
},
{
"id": "jvasp-24933",
"created_at": "2022-09-04T14:38:28.580364Z",
"updated_at": "2022-09-04T14:38:28.580410Z",
"structure_string": "In4 Te4 Cl4 O12\n1.0\n0.000000 7.181971 0.009680\n6.931881 0.000000 0.000000\n0.000000 -1.916795 -8.126761\nIn Te Cl O\n4 4 4 12\ndirect\n0.798126 0.750151 0.678388 In\n0.201875 0.249849 0.321612 In\n0.701875 0.250151 0.321612 In\n0.298126 0.749849 0.678388 In\n0.943464 0.731797 0.291668 Te\n0.556536 0.231797 0.708332 Te\n0.443465 0.768203 0.291667 Te\n0.056536 0.268203 0.708332 Te\n0.111472 0.793053 0.910249 Cl\n0.888528 0.206947 0.089751 Cl\n0.611472 0.706947 0.910249 Cl\n0.388529 0.293053 0.089751 Cl\n0.492395 0.283623 0.472236 O\n0.007605 0.783623 0.527763 O\n0.256611 0.444783 0.685227 O\n0.756611 0.055217 0.685227 O\n0.154855 0.554765 0.310159 O\n0.654855 0.945235 0.310159 O\n0.345146 0.054765 0.689841 O\n0.845146 0.445235 0.689841 O\n0.743390 0.555217 0.314772 O\n0.507605 0.716377 0.527764 O\n0.992395 0.216377 0.472236 O\n0.243390 0.944783 0.314772 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"In",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-In-O-Te",
"density": 5.351533565354257,
"density_atomic": 0.05933857220669862,
"volume": 404.45867009403173,
"volume_molar": 10.148779345452757,
"formula_full": "In4 Te4 Cl4 O12",
"formula_reduced": "InTeClO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.2119853840277777,
"spacegroup": 14
},
{
"id": "jvasp-24307",
"created_at": "2022-09-04T14:38:06.237428Z",
"updated_at": "2022-09-04T14:38:06.237455Z",
"structure_string": "Sb4 Te4 Cl4 O12\n1.0\n5.456733 -0.000000 0.000000\n0.000000 7.135830 0.000000\n0.000000 0.000000 11.307374\nSb Te Cl O\n4 4 4 12\ndirect\n0.250000 0.920119 0.752803 Sb\n0.750000 0.079881 0.247197 Sb\n0.750000 0.420119 0.747197 Sb\n0.250000 0.579881 0.252803 Sb\n0.750000 0.826595 0.933329 Te\n0.750000 0.673405 0.433330 Te\n0.250000 0.173405 0.066670 Te\n0.250000 0.326595 0.566670 Te\n0.250000 0.600363 0.926080 Cl\n0.750000 0.399637 0.073920 Cl\n0.750000 0.100363 0.573919 Cl\n0.250000 0.899637 0.426080 Cl\n0.002342 0.499541 0.623365 O\n0.997657 0.999541 0.876635 O\n0.002342 0.000459 0.123365 O\n0.750000 0.797379 0.281809 O\n0.497658 0.499541 0.623365 O\n0.997657 0.500459 0.376635 O\n0.502342 0.500459 0.376635 O\n0.750000 0.702621 0.781808 O\n0.497658 0.000459 0.123365 O\n0.502342 0.999541 0.876635 O\n0.250000 0.202621 0.718191 O\n0.250000 0.297379 0.218191 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sb",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-O-Sb-Te",
"density": 5.02074385746874,
"density_atomic": 0.054509510929976364,
"volume": 440.29013635493294,
"volume_molar": 11.047871568204165,
"formula_full": "Sb4 Te4 Cl4 O12",
"formula_reduced": "SbTeClO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.6218114056944448,
"spacegroup": 62
},
{
"id": "jvasp-9993",
"created_at": "2022-09-04T14:37:08.823989Z",
"updated_at": "2022-09-04T14:37:08.824018Z",
"structure_string": "Ba2 Y2 Ag2 Se6\n1.0\n4.271190 -0.000000 -0.000000\n-2.135595 7.099444 0.000000\n0.000000 0.000000 10.725658\nBa Y Ag Se\n2 2 2 6\ndirect\n0.751107 0.502213 0.250000 Ba\n0.248893 0.497787 0.750000 Ba\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.467940 0.935879 0.250000 Ag\n0.532061 0.064120 0.750000 Ag\n0.636992 0.273983 0.548484 Se\n0.363009 0.726017 0.451516 Se\n0.363009 0.726017 0.048484 Se\n0.920814 0.841625 0.750000 Se\n0.079187 0.158374 0.250000 Se\n0.636992 0.273983 0.951516 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Ag",
"Se"
],
"chemical_system": "Ag-Ba-Se-Y",
"density": 5.830470660358734,
"density_atomic": 0.036896406659237865,
"volume": 325.23492357474663,
"volume_molar": 16.32175408195805,
"formula_full": "Ba2 Y2 Ag2 Se6",
"formula_reduced": "BaYAgSe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.94173313,
"spacegroup": 63
}
]
}