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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4487",
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"results": [
{
"id": "jvasp-10215",
"created_at": "2022-09-04T14:38:16.169808Z",
"updated_at": "2022-09-04T14:38:16.169822Z",
"structure_string": "Tl4 Si2 S6\n1.0\n6.710369 0.017266 -0.006377\n-2.597756 -6.209269 0.094300\n-3.160373 1.209409 -7.728174\nTl Si S\n4 2 6\ndirect\n0.737184 0.312214 0.110258 Tl\n0.262816 0.687785 0.889742 Tl\n0.886388 0.060911 0.673044 Tl\n0.113612 0.939088 0.326956 Tl\n0.431864 0.547502 0.321438 Si\n0.568136 0.452498 0.678562 Si\n0.754390 0.696599 0.900022 S\n0.245609 0.303400 0.099978 S\n0.515503 0.870659 0.273515 S\n0.484497 0.129340 0.726485 S\n0.247554 0.477647 0.496475 S\n0.752446 0.522352 0.503525 S\n",
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],
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"volume": 321.0339544809354,
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{
"id": "jvasp-43733",
"created_at": "2022-09-04T14:38:16.100284Z",
"updated_at": "2022-09-04T14:38:16.100311Z",
"structure_string": "Li6 Fe1 O4 F2\n1.0\n5.431247 0.025880 -0.011827\n2.518467 4.835593 0.017798\n2.499111 1.714214 4.724480\nLi Fe O F\n6 1 4 2\ndirect\n0.720993 0.492789 0.071499 Li\n0.491619 0.089850 0.749600 Li\n0.915177 0.301020 0.519935 Li\n0.084825 0.698978 0.480065 Li\n0.508383 0.910149 0.250400 Li\n0.279009 0.507210 0.928500 Li\n0.000000 0.000000 0.000000 Fe\n0.348097 0.791508 0.083973 O\n0.902361 0.657109 0.204619 O\n0.097641 0.342890 0.795381 O\n0.651905 0.208491 0.916027 O\n0.771124 0.116519 0.400186 F\n0.228877 0.883479 0.599814 F\n",
"nsites": 13,
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"elements": [
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"O",
"F"
],
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"density_atomic": 0.10509312331501616,
"volume": 123.69981583887805,
"volume_molar": 5.73029002282924,
"formula_full": "Li6 Fe1 O4 F2",
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{
"id": "jvasp-25879",
"created_at": "2022-09-04T14:38:16.387967Z",
"updated_at": "2022-09-04T14:38:16.387995Z",
"structure_string": "Ag2 Bi2 P4 S12\n1.0\n6.454761 0.013207 -0.019569\n-0.696243 7.181981 0.169374\n-0.191704 -0.627203 9.647036\nAg Bi P S\n2 2 4 12\ndirect\n0.060317 0.019130 0.301262 Ag\n0.939684 0.980871 0.698738 Ag\n0.534543 0.373756 0.770333 Bi\n0.465458 0.626245 0.229666 Bi\n0.942003 0.610414 0.070540 P\n0.437633 0.880512 0.565282 P\n0.562367 0.119489 0.434718 P\n0.057998 0.389587 0.929460 P\n0.314906 0.301203 0.028205 S\n0.873715 0.489409 0.250814 S\n0.333521 0.002517 0.745461 S\n0.820539 0.178322 0.920829 S\n0.666480 0.997484 0.254539 S\n0.679079 0.722375 0.591963 S\n0.320922 0.277626 0.408037 S\n0.126286 0.510592 0.749186 S\n0.801668 0.258366 0.548736 S\n0.179462 0.821679 0.079171 S\n0.685095 0.698798 0.971795 S\n0.198332 0.741635 0.451263 S\n",
"nsites": 20,
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"elements": [
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],
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"density_atomic": 0.044647291457247926,
"volume": 447.9555051878349,
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"formula_anonymous": "ABC2D6",
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"spacegroup": 2
},
{
"id": "jvasp-43735",
"created_at": "2022-09-04T14:38:16.215622Z",
"updated_at": "2022-09-04T14:38:16.215642Z",
"structure_string": "Li8 Fe2 O6 F2\n1.0\n5.105455 0.054702 0.038524\n1.823655 4.881993 -0.029359\n1.067228 2.320975 7.461546\nLi Fe O F\n8 2 6 2\ndirect\n0.214105 0.829355 0.273504 Li\n0.751956 0.958056 0.052840 Li\n0.747829 0.485397 0.922035 Li\n0.764622 0.744558 0.492506 Li\n0.235381 0.255440 0.507494 Li\n0.252174 0.514601 0.077964 Li\n0.248047 0.041942 0.947159 Li\n0.785898 0.170643 0.726496 Li\n0.780486 0.404548 0.262586 Fe\n0.219517 0.595450 0.737414 Fe\n0.976504 0.443111 0.685242 O\n0.485104 0.301833 0.889864 O\n0.033350 0.831490 0.876716 O\n0.966653 0.168508 0.123284 O\n0.514899 0.698165 0.110136 O\n0.023499 0.556887 0.314757 O\n0.346866 0.836288 0.497428 F\n0.653137 0.163710 0.502572 F\n",
"nsites": 18,
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"elements": [
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"Fe",
"O",
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],
"chemical_system": "F-Fe-Li-O",
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"density_atomic": 0.09701324066386979,
"volume": 185.54168355602266,
"volume_molar": 6.207545195676365,
"formula_full": "Li8 Fe2 O6 F2",
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"formula_anonymous": "ABC3D4",
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"spacegroup": 2
},
{
"id": "jvasp-58860",
"created_at": "2022-09-04T14:38:17.185772Z",
"updated_at": "2022-09-04T14:38:17.185806Z",
"structure_string": "Na8 Ge4 Se10\n1.0\n7.060328 -0.017380 -0.005340\n1.146508 8.036325 0.009765\n3.497068 2.556721 9.804158\nNa Ge Se\n8 4 10\ndirect\n0.204154 -0.000171 0.592397 Na\n0.795847 0.000171 0.407603 Na\n0.912021 0.520036 0.685347 Na\n0.087979 0.479963 0.314653 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.272643 0.490626 0.896321 Na\n0.727357 0.509373 0.103679 Na\n0.617829 0.840974 0.832690 Ge\n0.382172 0.159025 0.167311 Ge\n0.425721 0.842801 0.230517 Ge\n0.574279 0.157198 0.769484 Ge\n0.253750 0.246395 0.744213 Se\n0.054751 0.245781 0.154230 Se\n0.945250 0.754218 0.845771 Se\n0.647572 0.259119 0.947416 Se\n0.352429 0.740880 0.052584 Se\n0.839314 0.252010 0.568402 Se\n0.160687 0.747989 0.431599 Se\n0.537523 0.744881 0.668941 Se\n0.462477 0.255118 0.331059 Se\n0.746251 0.753604 0.255787 Se\n",
"nsites": 22,
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"elements": [
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"Ge",
"Se"
],
"chemical_system": "Ge-Na-Se",
"density": 3.7723413588724326,
"density_atomic": 0.039537630879080396,
"volume": 556.4319234828088,
"volume_molar": 15.231415302595561,
"formula_full": "Na8 Ge4 Se10",
"formula_reduced": "Na4Ge2Se5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 0.5526558848484849,
"spacegroup": 2
},
{
"id": "jvasp-33313",
"created_at": "2022-09-04T14:38:17.223584Z",
"updated_at": "2022-09-04T14:38:17.223604Z",
"structure_string": "B2 H6 O2 F8\n1.0\n4.448566 0.098045 0.806299\n0.103369 5.855496 1.069299\n-0.069071 0.075274 6.275668\nB H O F\n2 6 2 8\ndirect\n0.568237 0.792662 0.797085 B\n0.431764 0.207338 0.202916 B\n0.861349 0.689592 0.158907 H\n0.138653 0.310407 0.841094 H\n0.757650 0.677774 0.430178 H\n0.242352 0.322225 0.569823 H\n0.049223 0.831941 0.295084 H\n0.950778 0.168058 0.704916 H\n0.069738 0.307375 0.696434 O\n0.930264 0.692624 0.303566 O\n0.740754 0.659225 0.948041 F\n0.259247 0.340774 0.051959 F\n0.739547 0.979137 0.669623 F\n0.260455 0.020863 0.330377 F\n0.515750 0.653189 0.645261 F\n0.484251 0.346810 0.354740 F\n0.299475 0.872502 0.903666 F\n0.700527 0.127497 0.096335 F\n",
"nsites": 18,
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"elements": [
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"H",
"O",
"F"
],
"chemical_system": "B-F-H-O",
"density": 2.151254759049661,
"density_atomic": 0.11017558205807436,
"volume": 163.37558344381668,
"volume_molar": 5.465948668032165,
"formula_full": "B2 H6 O2 F8",
"formula_reduced": "BH3OF4",
"formula_anonymous": "ABC3D4",
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"spacegroup": 2
},
{
"id": "jvasp-35167",
"created_at": "2022-09-04T14:38:16.347765Z",
"updated_at": "2022-09-04T14:38:16.347801Z",
"structure_string": "Li6 B2 P4 O16\n1.0\n5.165571 -0.009315 0.018572\n-0.022772 7.436162 0.001462\n-2.059691 -1.500513 7.317206\nLi B P O\n6 2 4 16\ndirect\n0.223922 0.865171 0.694319 Li\n0.776079 0.134829 0.305681 Li\n0.324564 0.514478 0.853247 Li\n0.675436 0.485523 0.146753 Li\n0.857290 0.472096 0.607167 Li\n0.142710 0.527905 0.392833 Li\n0.741456 0.040261 0.769775 B\n0.258545 0.959740 0.230225 B\n0.119622 0.252787 0.056009 P\n0.880378 0.747214 0.943991 P\n0.368395 0.214727 0.547117 P\n0.631605 0.785274 0.452883 P\n0.177561 0.063327 0.391747 O\n0.822440 0.936673 0.608253 O\n0.312232 0.407195 0.059080 O\n0.687769 0.592806 0.940920 O\n0.283630 0.081609 0.105923 O\n0.716371 0.918391 0.894077 O\n0.199356 0.371239 0.600519 O\n0.055829 0.810256 0.146224 O\n0.943103 0.307958 0.186600 O\n0.056897 0.692043 0.813400 O\n0.468422 0.111254 0.711990 O\n0.531578 0.888747 0.288009 O\n0.398416 0.725584 0.517788 O\n0.944171 0.189744 0.853776 O\n0.800645 0.628762 0.399481 O\n0.601584 0.274416 0.482212 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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],
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"density": 2.615383330789248,
"density_atomic": 0.09951536782689684,
"volume": 281.3635784244392,
"volume_molar": 6.051468121461685,
"formula_full": "Li6 B2 P4 O16",
"formula_reduced": "Li3B(PO4)2",
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"spacegroup": 2
},
{
"id": "jvasp-21034",
"created_at": "2022-09-04T14:38:16.408593Z",
"updated_at": "2022-09-04T14:38:16.408620Z",
"structure_string": "Li8 Te2 O10\n1.0\n4.914742 -0.012840 1.468554\n-1.475244 4.795680 1.317016\n0.204201 -0.175062 7.876881\nLi Te O\n8 2 10\ndirect\n0.107094 0.486674 0.318835 Li\n0.892906 0.513326 0.681164 Li\n0.500000 0.500000 0.500000 Li\n0.500000 -0.000000 -0.000000 Li\n0.342675 0.506038 0.886850 Li\n0.657325 0.493962 0.113150 Li\n0.691960 0.009917 0.603814 Li\n0.308039 -0.009916 0.396186 Li\n0.896444 -0.000305 0.212822 Te\n0.103556 0.000305 0.787177 Te\n0.908835 0.754557 0.429497 O\n0.726378 0.760540 0.847003 O\n0.273623 0.239461 0.152996 O\n0.718158 0.233614 0.332293 O\n0.281842 0.766386 0.667707 O\n0.090005 0.784579 0.044530 O\n0.909995 0.215421 -0.044530 O\n0.471013 0.240607 0.750159 O\n0.528988 0.759393 0.249841 O\n0.091166 0.245443 0.570503 O\n",
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"elements": [
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],
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"density_atomic": 0.10777255528076372,
"volume": 185.57600260935627,
"volume_molar": 5.587824046958354,
"formula_full": "Li8 Te2 O10",
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"formula_anonymous": "AB4C5",
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"spacegroup": 2
},
{
"id": "jvasp-57291",
"created_at": "2022-09-04T14:38:16.625661Z",
"updated_at": "2022-09-04T14:38:16.625693Z",
"structure_string": "Cu1 Bi1 W2 O8\n1.0\n5.053391 0.013210 0.004340\n-2.377349 5.624807 -0.019624\n-0.183303 -2.295863 5.733900\nCu Bi W O\n1 1 2 8\ndirect\n0.861416 0.901204 0.788505 Cu\n0.361596 0.901334 0.288697 Bi\n0.116874 0.422727 0.620718 W\n0.606265 0.379918 0.956659 W\n0.329965 0.211272 0.626126 O\n0.823804 0.198566 0.810970 O\n0.361592 0.648510 0.512046 O\n0.857370 0.628451 0.217808 O\n0.865850 0.174241 0.359523 O\n0.393131 0.591351 0.951285 O\n0.899282 0.604041 0.766346 O\n0.361659 0.154192 0.065423 O\n",
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"elements": [
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"density_atomic": 0.0736363551647444,
"volume": 162.96298171131312,
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"formula_full": "Cu1 Bi1 W2 O8",
"formula_reduced": "CuBi(WO4)2",
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"spacegroup": 2
},
{
"id": "jvasp-5806",
"created_at": "2022-09-04T14:38:16.945968Z",
"updated_at": "2022-09-04T14:38:16.945990Z",
"structure_string": "P2 Au2 S8\n1.0\n5.774880 -0.120224 -0.384190\n1.188038 6.814704 0.170512\n0.261972 1.129267 7.828285\nP Au S\n2 2 8\ndirect\n0.708988 0.235091 0.241837 P\n0.291012 0.764910 0.758163 P\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.318539 0.735095 0.022213 S\n0.681461 0.264905 -0.022213 S\n0.397074 0.244312 0.358261 S\n0.602926 0.755689 0.641739 S\n0.068884 0.034611 0.703005 S\n0.931116 0.965389 0.296995 S\n0.169719 0.531425 0.669721 S\n0.830281 0.468575 0.330279 S\n",
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"elements": [
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],
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"density": 3.837739736465216,
"density_atomic": 0.038929905825200894,
"volume": 308.2463146425573,
"volume_molar": 15.469189129406075,
"formula_full": "P2 Au2 S8",
"formula_reduced": "PAuS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.0067088450000004,
"spacegroup": 2
},
{
"id": "jvasp-29949",
"created_at": "2022-09-04T14:38:16.961723Z",
"updated_at": "2022-09-04T14:38:16.961742Z",
"structure_string": "Sn3 P4 O14\n1.0\n5.528216 0.024170 0.439559\n2.929194 6.522867 -0.179817\n0.313431 0.910077 9.006561\nSn P O\n3 4 14\ndirect\n0.762267 0.396010 0.327977 Sn\n0.237733 0.603991 0.672023 Sn\n0.000000 0.000000 0.000000 Sn\n0.654555 0.692104 0.958133 P\n0.884080 0.347121 0.715441 P\n0.115920 0.652880 0.284558 P\n0.345444 0.307896 0.041867 P\n0.863700 0.652861 0.370239 O\n0.348635 0.410320 0.891407 O\n0.651365 0.589681 0.108592 O\n0.136299 0.347140 0.629761 O\n0.658774 0.408897 0.613018 O\n0.829140 0.814254 0.934753 O\n0.797265 0.521108 0.834911 O\n0.074644 0.858002 0.202995 O\n0.202734 0.478893 0.165089 O\n0.170859 0.185747 0.065247 O\n0.624788 0.183693 0.095710 O\n0.925356 0.141999 0.797005 O\n0.341226 0.591104 0.386981 O\n0.375212 0.816307 0.904290 O\n",
"nsites": 21,
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"elements": [
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],
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"density": 3.5935992771856293,
"density_atomic": 0.06455307211488294,
"volume": 325.3137195798676,
"volume_molar": 9.328976240329196,
"formula_full": "Sn3 P4 O14",
"formula_reduced": "Sn3(P2O7)2",
"formula_anonymous": "A3B4C14",
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},
{
"id": "jvasp-57343",
"created_at": "2022-09-04T14:38:17.012576Z",
"updated_at": "2022-09-04T14:38:17.012611Z",
"structure_string": "K1 Mn1 Se2 O8\n1.0\n4.855671 -0.050757 0.034287\n1.860950 4.653844 0.024769\n0.654799 0.783744 7.807023\nK Mn Se O\n1 1 2 8\ndirect\n0.000000 -0.000000 0.500000 K\n0.000000 0.000000 0.000000 Mn\n0.612103 0.624365 0.207199 Se\n0.387898 0.375633 0.792801 Se\n0.236587 0.768110 0.188592 O\n0.239459 0.234460 0.969099 O\n0.680823 0.692108 0.393886 O\n0.718830 0.272124 0.192248 O\n0.760542 0.765537 0.030901 O\n0.319178 0.307890 0.606114 O\n0.281171 0.727873 0.807752 O\n0.763414 0.231888 0.811408 O\n",
"nsites": 12,
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"elements": [
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],
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"density_atomic": 0.06779379881653036,
"volume": 177.00734004411632,
"volume_molar": 8.883025977490442,
"formula_full": "K1 Mn1 Se2 O8",
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"formula_anonymous": "ABC2D8",
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"spacegroup": 2
}
]
}