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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4512",
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"results": [
{
"id": "jvasp-96633",
"created_at": "2022-09-04T14:36:17.366808Z",
"updated_at": "2022-09-04T14:36:17.366837Z",
"structure_string": "Rb4 Sn4 Se10\n1.0\n6.963724 0.044060 1.838880\n1.787409 6.730570 1.838880\n-0.064009 -0.049552 12.244433\nRb Sn Se\n4 4 10\ndirect\n0.593565 0.935292 0.321956 Rb\n0.064708 0.406435 0.178044 Rb\n0.406434 0.064708 0.678044 Rb\n0.935292 0.593566 0.821956 Rb\n0.748495 0.442885 0.558051 Sn\n0.251504 0.557115 0.441948 Sn\n0.442885 0.748496 0.058052 Sn\n0.557115 0.251504 0.941948 Sn\n0.241248 0.138888 0.963010 Se\n0.181521 0.818479 0.250000 Se\n0.758752 0.861112 0.036990 Se\n0.649394 0.378923 0.381139 Se\n0.621077 0.350605 0.118861 Se\n0.350605 0.621078 0.618861 Se\n0.378922 0.649394 0.881139 Se\n0.818478 0.181522 0.750000 Se\n0.138888 0.241248 0.463010 Se\n0.861112 0.758752 0.536990 Se\n",
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"spacegroup": 15
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{
"id": "jvasp-96441",
"created_at": "2022-09-04T14:36:08.758921Z",
"updated_at": "2022-09-04T14:36:08.758958Z",
"structure_string": "Na4 Li2 B10 P4 O28\n1.0\n7.429393 0.000000 -3.581858\n0.000000 9.215722 0.000000\n-0.004434 0.000000 8.389570\nNa Li B P O\n4 2 10 4 28\ndirect\n0.603289 0.250000 0.537186 Na\n0.396711 0.750000 0.462814 Na\n0.837799 0.250000 0.961554 Na\n0.162201 0.750000 0.038446 Na\n0.016208 0.250000 0.716732 Li\n0.983793 0.750000 0.283268 Li\n0.391103 0.750000 0.799627 B\n0.608898 0.250000 0.200372 B\n0.584259 0.750000 0.116223 B\n0.415742 0.250000 0.883776 B\n0.053363 0.750000 0.649077 B\n0.277096 0.250000 0.095496 B\n0.722905 0.750000 0.904504 B\n0.733540 0.750000 0.454763 B\n0.266460 0.250000 0.545237 B\n0.946637 0.250000 0.350923 B\n0.151284 0.056454 0.272181 P\n0.848716 0.556454 0.727819 P\n0.151284 0.443546 0.272181 P\n0.848716 0.943546 0.727819 P\n0.846196 0.106129 0.733023 O\n0.229084 0.750000 0.655564 O\n0.770916 0.250000 0.344436 O\n0.539826 0.750000 0.768572 O\n0.460174 0.250000 0.231427 O\n0.734147 0.750000 0.084399 O\n0.265853 0.250000 0.915601 O\n0.913311 0.750000 0.471101 O\n0.086689 0.250000 0.528899 O\n0.588261 0.750000 0.279639 O\n0.411739 0.250000 0.720361 O\n0.153804 0.606128 0.266976 O\n0.846196 0.393871 0.733023 O\n0.297846 0.117828 0.450855 O\n0.181454 0.117583 0.112663 O\n0.818546 0.617583 0.887336 O\n0.818546 0.882417 0.887336 O\n0.181454 0.382417 0.112663 O\n0.034910 0.617817 0.750479 O\n0.965090 0.117817 0.249521 O\n0.965090 0.382183 0.249521 O\n0.034910 0.882183 0.750479 O\n0.588562 0.250000 0.026134 O\n0.702154 0.617828 0.549145 O\n0.702154 0.882172 0.549145 O\n0.297846 0.382172 0.450855 O\n0.153804 0.893871 0.266976 O\n0.411438 0.750000 0.973866 O\n",
"nsites": 48,
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],
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"density": 2.272299665682169,
"density_atomic": 0.08358522444264303,
"volume": 574.2641755175049,
"volume_molar": 7.204791038316168,
"formula_full": "Na4 Li2 B10 P4 O28",
"formula_reduced": "Na2LiB5(PO7)2",
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"spacegroup": 11
},
{
"id": "jvasp-29585",
"created_at": "2022-09-04T14:37:00.243517Z",
"updated_at": "2022-09-04T14:37:00.243545Z",
"structure_string": "Sm2 Al4 Cl16\n1.0\n6.822673 0.000000 0.000000\n0.000000 6.459630 -0.333908\n0.000000 0.282725 13.016358\nSm Al Cl\n2 4 16\ndirect\n0.824220 0.500001 0.750000 Sm\n0.175780 0.500000 0.250000 Sm\n0.257770 0.667590 0.912403 Al\n0.742230 0.332410 0.087597 Al\n0.257770 0.332411 0.587597 Al\n0.742230 0.667590 0.412403 Al\n0.000098 0.156835 0.128974 Cl\n0.660879 0.286727 0.927599 Cl\n0.843938 0.643369 0.127276 Cl\n0.156061 0.643369 0.627276 Cl\n0.492621 0.767229 0.321726 Cl\n0.507378 0.767229 0.821726 Cl\n0.339120 0.286727 0.427599 Cl\n0.507378 0.232772 0.678274 Cl\n0.492621 0.232771 0.178274 Cl\n0.000098 0.843165 0.371026 Cl\n0.843938 0.356632 0.372724 Cl\n-0.000098 0.843166 0.871026 Cl\n0.156061 0.356632 0.872724 Cl\n0.339120 0.713273 0.072401 Cl\n0.660879 0.713274 0.572401 Cl\n-0.000098 0.156836 0.628974 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Al",
"Cl"
],
"chemical_system": "Al-Cl-Sm",
"density": 2.8217126610949164,
"density_atomic": 0.03830748618486878,
"volume": 574.3002789018785,
"volume_molar": 15.720532354792594,
"formula_full": "Sm2 Al4 Cl16",
"formula_reduced": "Sm(AlCl4)2",
"formula_anonymous": "AB2C8",
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"spacegroup": 13
},
{
"id": "jvasp-88178",
"created_at": "2022-09-04T14:35:42.449237Z",
"updated_at": "2022-09-04T14:35:42.449253Z",
"structure_string": "Sm6 Si2 Cu2 Se14\n1.0\n10.485218 0.000000 -0.000000\n-5.242609 9.080465 0.000000\n-0.000000 0.000000 6.032761\nSm Si Cu Se\n6 2 2 14\ndirect\n0.643941 0.773809 0.744643 Sm\n0.226190 0.870131 0.744643 Sm\n0.356059 0.226190 0.244643 Sm\n0.870131 0.643941 0.244643 Sm\n0.129869 0.356059 0.744643 Sm\n0.773810 0.129869 0.244643 Sm\n0.666667 0.333333 0.831897 Si\n0.000000 0.000000 0.710307 Si\n0.333333 0.666667 0.331893 Cu\n0.000000 0.000000 0.210318 Cu\n0.164234 0.904709 0.224172 Se\n0.580846 0.478633 0.983584 Se\n0.478633 0.897787 0.483585 Se\n0.095290 0.259525 0.224172 Se\n0.740475 0.835765 0.224172 Se\n0.419154 0.521366 0.483585 Se\n0.666667 0.333333 0.456088 Se\n0.333333 0.666667 0.956092 Se\n0.835766 0.095290 0.724171 Se\n0.904709 0.740475 0.724171 Se\n0.521367 0.102213 0.983584 Se\n0.897787 0.419154 0.983584 Se\n0.259525 0.164234 0.724171 Se\n0.102212 0.580845 0.483585 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Si",
"Cu",
"Se"
],
"chemical_system": "Cu-Se-Si-Sm",
"density": 6.333775196648333,
"density_atomic": 0.04178395723284676,
"volume": 574.3831266688493,
"volume_molar": 14.412566829036335,
"formula_full": "Sm6 Si2 Cu2 Se14",
"formula_reduced": "Sm3CuSiSe7",
"formula_anonymous": "ABC3D7",
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"spacegroup": 143
},
{
"id": "jvasp-12087",
"created_at": "2022-09-04T14:38:18.225876Z",
"updated_at": "2022-09-04T14:38:18.225885Z",
"structure_string": "Nb6 Br16\n1.0\n6.875342 -0.006956 11.823066\n3.182436 6.094462 11.823066\n-0.011493 -0.006956 13.676808\nNb Br\n6 16\ndirect\n0.550567 0.145504 0.550567 Nb\n0.145505 0.550565 0.550566 Nb\n0.854496 0.449433 0.449435 Nb\n0.449435 0.854495 0.449434 Nb\n0.449435 0.449433 0.854496 Nb\n0.550567 0.550565 0.145505 Nb\n0.627709 0.118238 0.118239 Br\n0.372293 0.881760 0.881762 Br\n0.881762 0.881760 0.372292 Br\n0.881762 0.372290 0.881762 Br\n0.706139 0.706137 0.205713 Br\n0.635564 0.635562 0.635564 Br\n0.794288 0.293861 0.293863 Br\n0.293863 0.293861 0.794288 Br\n0.293863 0.794287 0.293862 Br\n0.118239 0.627708 0.118239 Br\n0.118239 0.118238 0.627709 Br\n0.214678 0.214678 0.214678 Br\n0.785323 0.785321 0.785323 Br\n0.364437 0.364436 0.364437 Br\n0.205714 0.706137 0.706138 Br\n0.706139 0.205712 0.706139 Br\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Nb",
"Br"
],
"chemical_system": "Br-Nb",
"density": 5.306371990336568,
"density_atomic": 0.03829320476463326,
"volume": 574.5144637337512,
"volume_molar": 15.72639531482075,
"formula_full": "Nb6 Br16",
"formula_reduced": "Nb3Br8",
"formula_anonymous": "A3B8",
"energy_above_hull": 1.649996458181818,
"spacegroup": 166
},
{
"id": "jvasp-98842",
"created_at": "2022-09-04T14:36:09.463467Z",
"updated_at": "2022-09-04T14:36:09.463503Z",
"structure_string": "K4 Cu2 H16 C8 O24\n1.0\n3.667666 -0.017701 0.000000\n-0.630192 10.741530 0.000000\n0.000000 0.000000 14.587395\nK Cu H C O\n4 2 16 8 24\ndirect\n0.238013 0.490692 0.637457 K\n0.761988 0.509308 0.362544 K\n0.738014 0.990693 0.862544 K\n0.261988 0.009308 0.137457 K\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.154628 0.839418 0.711454 H\n0.345373 0.660582 0.211454 H\n0.714462 0.742138 0.627513 H\n0.392338 0.525084 0.180776 H\n0.785540 0.757862 0.127513 H\n0.654629 0.339418 0.788546 H\n0.727729 0.702386 0.732507 H\n0.285539 0.257862 0.372487 H\n0.892339 0.025084 0.319224 H\n0.607663 0.474916 0.819224 H\n0.772274 0.797614 0.232507 H\n0.227728 0.202386 0.767494 H\n0.272273 0.297614 0.267494 H\n0.107663 0.974916 0.680776 H\n0.214462 0.242138 0.872487 H\n0.845373 0.160582 0.288546 H\n0.313584 0.750802 0.475764 C\n0.610891 0.321726 0.099035 C\n0.186417 0.749198 0.975764 C\n0.889111 0.178274 0.599035 C\n0.686417 0.249198 0.524236 C\n0.813584 0.250802 0.024236 C\n0.110891 0.821726 0.400965 C\n0.389110 0.678274 0.900965 C\n0.282424 0.635422 0.479453 O\n0.991036 0.677729 0.031218 O\n0.916540 0.763312 0.343761 O\n0.154370 0.942117 0.405361 O\n0.008965 0.322271 0.968782 O\n0.774300 0.073774 0.271726 O\n0.083462 0.236688 0.656239 O\n0.345632 0.557883 0.905361 O\n0.225701 0.926226 0.728274 O\n0.346957 0.192750 0.827741 O\n0.725702 0.426226 0.771726 O\n0.508966 0.822271 0.531218 O\n0.153044 0.307250 0.327741 O\n0.653045 0.807250 0.172259 O\n0.717577 0.364578 0.520547 O\n0.274300 0.573774 0.228274 O\n0.846957 0.692750 0.672259 O\n0.782424 0.135422 0.020547 O\n0.654370 0.442117 0.094639 O\n0.416539 0.263312 0.156239 O\n0.583462 0.736688 0.843761 O\n0.491035 0.177729 0.468782 O\n0.217577 0.864578 0.979453 O\n0.845632 0.057883 0.594640 O\n",
"nsites": 54,
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"elements": [
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"H",
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],
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"density": 2.25349566508218,
"density_atomic": 0.0939903093877027,
"volume": 574.5273140580292,
"volume_molar": 6.407193251337368,
"formula_full": "K4 Cu2 H16 C8 O24",
"formula_reduced": "K2CuH8(CO3)4",
"formula_anonymous": "AB2C4D8E12",
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"spacegroup": 14
},
{
"id": "jvasp-96527",
"created_at": "2022-09-04T14:36:18.193306Z",
"updated_at": "2022-09-04T14:36:18.193332Z",
"structure_string": "Zn2 Te12 O26\n1.0\n8.254811 0.000021 2.669358\n1.942269 8.023060 2.669358\n0.000027 0.000021 8.675677\nZn Te O\n2 12 26\ndirect\n0.256000 0.256000 0.256000 Zn\n0.744000 0.744000 0.744001 Zn\n0.827072 0.417112 0.527471 Te\n0.417112 0.527471 0.827072 Te\n0.582888 0.472529 0.172928 Te\n0.172928 0.582888 0.472529 Te\n0.332624 0.933671 0.015549 Te\n0.472529 0.172928 0.582888 Te\n0.933671 0.015549 0.332624 Te\n0.527471 0.827072 0.417112 Te\n0.015549 0.332624 0.933671 Te\n0.667376 0.066329 0.984451 Te\n0.984451 0.667376 0.066329 Te\n0.066329 0.984451 0.667376 Te\n0.115318 0.456167 0.364228 O\n0.084174 0.084174 0.084174 O\n0.625407 0.382425 0.701348 O\n0.701348 0.625407 0.382425 O\n0.798328 0.302710 0.045461 O\n0.954539 0.201672 0.697291 O\n0.924405 0.605324 0.894821 O\n0.394676 0.105180 0.075595 O\n0.045461 0.798328 0.302710 O\n0.456167 0.364228 0.115318 O\n0.635772 0.884682 0.543834 O\n0.697290 0.954539 0.201672 O\n0.543833 0.635772 0.884683 O\n0.075595 0.394676 0.105180 O\n0.884682 0.543833 0.635773 O\n0.364228 0.115318 0.456167 O\n0.605324 0.894820 0.924406 O\n0.105180 0.075595 0.394676 O\n0.201672 0.697290 0.954539 O\n0.302710 0.045461 0.798328 O\n0.374593 0.617575 0.298652 O\n0.915826 0.915826 0.915827 O\n0.382425 0.701348 0.625407 O\n0.298652 0.374593 0.617575 O\n0.617575 0.298652 0.374593 O\n0.894820 0.924405 0.605325 O\n",
"nsites": 40,
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"elements": [
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],
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"density": 6.005450136484699,
"density_atomic": 0.06961621615368711,
"volume": 574.5787721598463,
"volume_molar": 8.650485609136407,
"formula_full": "Zn2 Te12 O26",
"formula_reduced": "ZnTe6O13",
"formula_anonymous": "AB6C13",
"energy_above_hull": 2.168522625,
"spacegroup": 148
},
{
"id": "jvasp-98470",
"created_at": "2022-09-04T14:35:42.244529Z",
"updated_at": "2022-09-04T14:35:42.244555Z",
"structure_string": "Li12 W6 O24\n1.0\n8.478574 -0.002879 -2.720794\n-3.729773 7.614133 -2.720794\n-0.001796 -0.002879 8.904434\nLi W O\n12 6 24\ndirect\n0.066700 0.297407 0.894373 Li\n0.630411 0.224891 0.390723 Li\n0.390722 0.630410 0.224891 Li\n0.775108 0.609276 0.369590 Li\n0.609277 0.369589 0.775108 Li\n0.224891 0.390723 0.630411 Li\n0.369589 0.775108 0.609277 Li\n0.702592 0.105626 0.933298 Li\n0.933298 0.702593 0.105627 Li\n0.894373 0.066701 0.297406 Li\n0.297406 0.894373 0.066701 Li\n0.105626 0.933298 0.702594 Li\n0.730148 0.966176 0.555595 W\n0.269851 0.033823 0.444404 W\n0.555595 0.730149 0.966178 W\n0.966176 0.555594 0.730149 W\n0.033823 0.444405 0.269851 W\n0.444405 0.269851 0.033823 W\n0.218346 0.182067 0.878758 O\n0.576623 0.248487 0.918680 O\n0.918680 0.576624 0.248488 O\n0.248488 0.918680 0.576624 O\n0.423376 0.751512 0.081321 O\n0.781653 0.817932 0.121243 O\n0.751512 0.081319 0.423376 O\n0.457762 0.140160 0.153383 O\n0.153383 0.457763 0.140160 O\n0.140160 0.153382 0.457763 O\n0.542236 0.859839 0.846617 O\n0.503451 0.811952 0.470940 O\n0.811952 0.470940 0.503451 O\n0.470939 0.503450 0.811952 O\n0.496549 0.188047 0.529060 O\n0.188047 0.529059 0.496548 O\n0.529061 0.496549 0.188048 O\n0.817932 0.121242 0.781653 O\n0.121242 0.781653 0.817933 O\n0.846616 0.542236 0.859840 O\n0.081319 0.423376 0.751513 O\n0.878756 0.218346 0.182067 O\n0.859839 0.846617 0.542237 O\n0.182066 0.878758 0.218347 O\n",
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],
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"volume": 574.6149906161287,
"volume_molar": 8.239077038800966,
"formula_full": "Li12 W6 O24",
"formula_reduced": "Li2WO4",
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"spacegroup": 148
},
{
"id": "jvasp-119147",
"created_at": "2022-09-04T14:38:51.954677Z",
"updated_at": "2022-09-04T14:38:51.954703Z",
"structure_string": "Sr12 Sn4 N3\n1.0\n5.233800 -0.000000 0.000000\n0.000000 5.233800 0.000000\n-0.000000 -0.000000 20.985161\nSr Sn N\n12 4 3\ndirect\n0.500000 0.500000 0.864987 Sr\n-0.000000 0.500000 0.746090 Sr\n-0.000000 0.500000 0.500000 Sr\n-0.000000 0.500000 -0.000000 Sr\n0.500000 0.000000 0.746090 Sr\n0.500000 0.000000 0.500000 Sr\n-0.000000 0.500000 0.253910 Sr\n0.500000 0.000000 -0.000000 Sr\n0.500000 0.500000 0.622999 Sr\n0.500000 0.500000 0.377001 Sr\n0.500000 0.500000 0.135013 Sr\n0.500000 0.000000 0.253910 Sr\n0.000000 0.000000 0.882391 Sn\n0.000000 0.000000 0.117609 Sn\n0.000000 0.000000 0.375041 Sn\n0.000000 0.000000 0.624959 Sn\n0.500000 0.500000 0.500000 N\n0.500000 0.500000 0.249218 N\n0.500000 0.500000 0.750782 N\n",
"nsites": 19,
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"elements": [
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],
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"density": 4.530349592245707,
"density_atomic": 0.03305270821399992,
"volume": 574.8394315220528,
"volume_molar": 18.219810373811487,
"formula_full": "Sr12 Sn4 N3",
"formula_reduced": "Sr12Sn4N3",
"formula_anonymous": "A3B4C12",
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},
{
"id": "jvasp-55235",
"created_at": "2022-09-04T14:37:32.090797Z",
"updated_at": "2022-09-04T14:37:32.090814Z",
"structure_string": "Si6 Ag6 Sn4 P12\n1.0\n8.553997 0.000000 -3.024295\n-4.276998 7.407978 -3.024295\n-0.000000 -0.000000 9.072883\nSi Ag Sn P\n6 6 4 12\ndirect\n0.250000 0.750000 0.500000 Si\n0.500000 0.750000 0.250001 Si\n0.750000 0.250000 0.500000 Si\n0.250000 0.500000 0.750000 Si\n0.750000 0.500000 0.250001 Si\n0.500000 0.250000 0.750000 Si\n0.803195 0.803195 0.000001 Ag\n-0.000000 0.803195 0.803195 Ag\n0.196805 0.196805 0.000000 Ag\n0.196805 0.000000 0.196805 Ag\n0.803195 0.000000 0.803195 Ag\n-0.000000 0.196805 0.196805 Ag\n0.408250 -0.000000 0.000000 Sn\n0.591750 0.591750 0.591750 Sn\n0.000000 0.000000 0.408250 Sn\n-0.000000 0.408250 0.000000 Sn\n0.497555 0.250990 0.497555 P\n0.497555 0.497555 0.250990 P\n0.502445 0.753435 0.000001 P\n-0.000000 0.502445 0.753435 P\n0.502445 0.000000 0.753435 P\n0.753435 0.000000 0.502445 P\n0.753435 0.502445 0.000001 P\n-0.000000 0.753435 0.502445 P\n0.749010 0.246565 0.246565 P\n0.246565 0.749010 0.246565 P\n0.246565 0.246565 0.749010 P\n0.250990 0.497555 0.497555 P\n",
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],
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"formula_full": "Si6 Ag6 Sn4 P12",
"formula_reduced": "Si3Ag3(SnP3)2",
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},
{
"id": "jvasp-120448",
"created_at": "2022-09-04T14:38:37.961454Z",
"updated_at": "2022-09-04T14:38:37.961479Z",
"structure_string": "Cu8 Sn4 Se12\n1.0\n7.022913 0.000799 0.596154\n-3.582293 6.040570 0.596154\n-0.025135 -0.044135 13.546161\nCu Sn Se\n8 4 12\ndirect\n0.085559 0.918899 0.742383 Cu\n0.918898 0.085559 0.242383 Cu\n0.232150 0.739928 0.241350 Cu\n0.739927 0.232151 0.741350 Cu\n0.152786 0.315137 0.492013 Cu\n0.315136 0.152787 0.992013 Cu\n0.838142 0.659359 0.490858 Cu\n0.659359 0.838143 0.990858 Cu\n0.427520 0.573763 0.748958 Sn\n0.573762 0.427520 0.248958 Sn\n0.493106 0.004433 0.500098 Sn\n0.004432 0.493107 0.000098 Sn\n0.751693 0.911500 0.810624 Se\n0.114517 0.968707 0.561674 Se\n0.968706 0.114517 0.061674 Se\n0.477369 0.617630 0.548078 Se\n0.617630 0.477370 0.048078 Se\n0.557312 0.040909 0.298799 Se\n0.040908 0.557313 0.798799 Se\n0.832151 0.329153 0.560919 Se\n0.329153 0.832152 0.060919 Se\n0.394389 0.197493 0.811541 Se\n0.197492 0.394389 0.311541 Se\n0.911500 0.751693 0.310624 Se\n",
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"formula_full": "Cu8 Sn4 Se12",
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{
"id": "jvasp-119016",
"created_at": "2022-09-04T14:38:52.716793Z",
"updated_at": "2022-09-04T14:38:52.716819Z",
"structure_string": "La10 Cr2 Pb6\n1.0\n9.849726 -0.000000 0.000000\n-4.924862 8.530114 0.000000\n-0.000000 0.000000 6.847553\nLa Cr Pb\n10 2 6\ndirect\n0.730872 0.730871 0.750000 La\n0.666667 0.333333 0.500000 La\n0.333333 0.666666 -0.000000 La\n0.666667 0.333333 -0.000000 La\n0.000000 0.730871 0.250000 La\n0.333333 0.666666 0.500000 La\n0.269129 0.269129 0.250000 La\n0.000000 0.269129 0.750000 La\n0.269129 0.000000 0.750000 La\n0.730872 0.000000 0.250000 La\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.378824 0.000000 0.250000 Pb\n0.378824 0.378823 0.750000 Pb\n0.621177 0.000000 0.750000 Pb\n0.000000 0.621176 0.750000 Pb\n0.621177 0.621176 0.250000 Pb\n0.000000 0.378823 0.250000 Pb\n",
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"formula_full": "La10 Cr2 Pb6",
"formula_reduced": "La5CrPb3",
"formula_anonymous": "AB3C5",
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}