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=4403",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4401",
"results": [
{
"id": "jvasp-97368",
"created_at": "2022-09-04T14:35:57.703804Z",
"updated_at": "2022-09-04T14:35:57.703820Z",
"structure_string": "Pb8 I2 F14\n1.0\n6.045216 0.000000 0.000000\n0.000000 5.946629 -1.439267\n0.000000 -0.042077 12.830645\nPb I F\n8 2 14\ndirect\n0.750000 0.058763 0.117526 Pb\n0.750000 0.653683 0.307366 Pb\n0.250000 0.346317 0.692634 Pb\n0.750000 0.452365 0.904732 Pb\n0.250000 0.547634 0.095269 Pb\n0.750000 0.824578 0.649156 Pb\n0.250000 0.175422 0.350844 Pb\n0.250000 0.941237 0.882474 Pb\n0.750000 0.249784 0.499568 I\n0.250000 0.750216 0.500432 I\n0.500000 0.775000 -0.000000 F\n0.000000 0.225000 -0.000000 F\n0.520335 0.112157 0.757030 F\n0.000000 0.775000 -0.000000 F\n0.500000 0.225000 -0.000000 F\n0.020334 0.355128 0.242971 F\n0.520335 0.644872 0.757030 F\n0.979666 0.112157 0.757030 F\n0.479666 0.887843 0.242970 F\n0.979666 0.644872 0.757030 F\n0.479666 0.355128 0.242971 F\n0.020334 0.887843 0.242970 F\n0.750000 0.561765 0.123530 F\n0.250000 0.438235 0.876470 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Pb",
"I",
"F"
],
"chemical_system": "F-I-Pb",
"density": 7.84509719173405,
"density_atomic": 0.05207447854484066,
"volume": 460.87835482277393,
"volume_molar": 11.564476358249873,
"formula_full": "Pb8 I2 F14",
"formula_reduced": "Pb4IF7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-98732",
"created_at": "2022-09-04T14:37:51.714311Z",
"updated_at": "2022-09-04T14:37:51.714336Z",
"structure_string": "Na4 Te8 O18\n1.0\n6.961583 0.027061 0.016237\n2.675046 6.315444 2.648713\n0.006162 0.097505 10.540926\nNa Te O\n4 8 18\ndirect\n0.477402 0.773601 0.489360 Na\n0.522599 0.226398 0.510640 Na\n0.975995 0.818553 0.635693 Na\n0.024006 0.181445 0.364307 Na\n0.004117 0.724770 0.984374 Te\n0.460753 0.354562 0.791828 Te\n0.539247 0.645436 0.208173 Te\n0.508218 0.796356 0.802009 Te\n0.491782 0.203642 0.197992 Te\n0.028178 0.674364 0.329191 Te\n0.971823 0.325635 0.670810 Te\n0.995883 0.275229 0.015627 Te\n0.288965 0.306159 0.670010 O\n0.711035 0.693840 0.329991 O\n0.665912 0.340957 0.298685 O\n0.039860 0.142922 0.867302 O\n0.333747 0.511983 0.103878 O\n0.635164 0.854215 0.644807 O\n0.364836 0.145783 0.355194 O\n0.057467 0.503345 0.880045 O\n0.942533 0.496653 0.119956 O\n0.337689 0.669882 0.334280 O\n0.662312 0.330117 0.665721 O\n0.698238 0.872551 0.905354 O\n0.301762 0.127448 0.094647 O\n0.044261 0.119176 0.598873 O\n0.955739 0.880822 0.401127 O\n0.960141 0.857076 0.132699 O\n0.666253 0.488016 0.896122 O\n0.334089 0.659041 0.701315 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Na",
"Te",
"O"
],
"chemical_system": "Na-O-Te",
"density": 5.046860572388482,
"density_atomic": 0.06509286201517213,
"volume": 460.8800269529932,
"volume_molar": 9.25161465261173,
"formula_full": "Na4 Te8 O18",
"formula_reduced": "Na2Te4O9",
"formula_anonymous": "A2B4C9",
"energy_above_hull": 1.8913747044444444,
"spacegroup": 2
},
{
"id": "jvasp-116620",
"created_at": "2022-09-04T14:38:44.507259Z",
"updated_at": "2022-09-04T14:38:44.507285Z",
"structure_string": "Ho3 P6 Pd20\n1.0\n7.509165 -0.000000 4.335418\n2.503055 7.079708 4.335418\n-0.000000 -0.000000 8.670836\nHo P Pd\n3 6 20\ndirect\n0.250000 0.250000 0.250000 Ho\n0.749999 0.750000 0.750001 Ho\n0.000000 0.000000 0.000000 Ho\n0.263593 0.263593 0.736408 P\n0.736406 0.263593 0.736408 P\n0.736406 0.736407 0.263594 P\n0.263592 0.736407 0.736408 P\n0.736406 0.263593 0.263594 P\n0.263592 0.736407 0.263594 P\n-0.000000 0.345345 0.654656 Pd\n0.000000 0.000000 0.654656 Pd\n0.000000 0.000000 0.345345 Pd\n0.345345 0.000000 0.654656 Pd\n-0.000000 0.654655 0.000000 Pd\n0.654655 0.000000 0.345345 Pd\n-0.000000 0.345345 0.000000 Pd\n-0.000000 0.654655 0.345345 Pd\n0.654655 0.000000 0.000000 Pd\n0.616430 0.150709 0.616431 Pd\n0.150709 0.616430 0.616431 Pd\n0.849290 0.383570 0.383571 Pd\n0.654655 0.345345 0.000000 Pd\n0.616429 0.616430 0.150710 Pd\n0.383569 0.849291 0.383571 Pd\n0.383570 0.383570 0.849292 Pd\n0.616429 0.616430 0.616431 Pd\n0.383570 0.383570 0.383571 Pd\n0.345345 0.000000 0.000000 Pd\n0.345344 0.654655 0.000000 Pd\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Ho",
"P",
"Pd"
],
"chemical_system": "Ho-P-Pd",
"density": 10.119010717809516,
"density_atomic": 0.06291149893450389,
"volume": 460.9650142049773,
"volume_molar": 9.572400693026802,
"formula_full": "Ho3 P6 Pd20",
"formula_reduced": "Ho3(P3Pd10)2",
"formula_anonymous": "A3B6C20",
"energy_above_hull": 2.428871162068966,
"spacegroup": 225
},
{
"id": "jvasp-97819",
"created_at": "2022-09-04T14:36:09.417104Z",
"updated_at": "2022-09-04T14:36:09.417139Z",
"structure_string": "K2 Sn4 Se8\n1.0\n6.135939 -0.013875 2.085714\n0.755905 7.417967 0.256946\n-0.018375 -0.006937 10.122541\nK Sn Se\n2 4 8\ndirect\n0.963724 0.032044 0.684074 K\n0.647798 0.032043 0.315925 K\n0.417736 0.629142 0.000000 Sn\n0.139254 0.443460 0.377324 Sn\n0.516577 0.443460 0.622676 Sn\n0.305478 0.135273 -0.000000 Sn\n0.892208 0.537060 0.627365 Se\n0.519574 0.537059 0.372635 Se\n0.646892 0.884070 -0.000000 Se\n0.036740 0.655322 0.194373 Se\n0.638431 0.328926 -0.000000 Se\n0.462771 0.115112 0.671935 Se\n0.134706 0.115112 0.328065 Se\n0.231113 0.655322 0.805628 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"Sn",
"Se"
],
"chemical_system": "K-Se-Sn",
"density": 4.266189486313591,
"density_atomic": 0.03036019841876733,
"volume": 461.13005609824404,
"volume_molar": 19.835643617788012,
"formula_full": "K2 Sn4 Se8",
"formula_reduced": "K(SnSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8025678380952381,
"spacegroup": 8
},
{
"id": "jvasp-112707",
"created_at": "2022-09-04T14:38:42.438900Z",
"updated_at": "2022-09-04T14:38:42.438931Z",
"structure_string": "Ba6 Bi2 Ru2 Ir2 O18\n1.0\n5.971137 0.003761 0.120662\n-2.966902 5.181890 0.120662\n-0.034362 -0.059312 14.895155\nBa Bi Ru Ir O\n6 2 2 2 18\ndirect\n0.340109 0.673799 0.405803 Ba\n0.325729 0.656831 0.096403 Ba\n0.656832 0.325728 0.596403 Ba\n0.673799 0.340108 0.905803 Ba\n0.994255 0.006292 0.249945 Ba\n0.006293 0.994255 0.749945 Ba\n0.998617 0.999405 0.500661 Bi\n0.999406 0.998615 0.000661 Bi\n0.681453 0.350966 0.335153 Ru\n0.350967 0.681453 0.835153 Ru\n0.649405 0.319218 0.166281 Ir\n0.319218 0.649404 0.666281 Ir\n0.504165 0.026740 0.262792 O\n0.974912 0.497501 0.239977 O\n0.494756 0.508687 0.751445 O\n0.508687 0.494755 0.251445 O\n0.213083 0.866212 0.902987 O\n0.132192 0.787653 0.593966 O\n0.787653 0.132191 0.093966 O\n0.866212 0.213082 0.402987 O\n0.597949 0.786585 0.570430 O\n0.134564 0.318836 0.601044 O\n0.318836 0.134563 0.101044 O\n0.861937 0.677305 0.397033 O\n0.216890 0.403964 0.926075 O\n0.026741 0.504165 0.762792 O\n0.786586 0.597948 0.070430 O\n0.403964 0.216890 0.426075 O\n0.677306 0.861937 0.897033 O\n0.497502 0.974911 0.739977 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Ba",
"Bi",
"Ru",
"Ir",
"O"
],
"chemical_system": "Ba-Bi-Ir-O-Ru",
"density": 7.621442598836162,
"density_atomic": 0.06505698616524666,
"volume": 461.1341804829249,
"volume_molar": 9.256716480384728,
"formula_full": "Ba6 Bi2 Ru2 Ir2 O18",
"formula_reduced": "Ba3BiIrRuO9",
"formula_anonymous": "ABCD3E9",
"energy_above_hull": 2.4344376873333333,
"spacegroup": 9
},
{
"id": "jvasp-20832",
"created_at": "2022-09-04T14:38:30.389087Z",
"updated_at": "2022-09-04T14:38:30.389116Z",
"structure_string": "Rb8 Be4 F16\n1.0\n5.862494 0.000000 0.000000\n0.000000 7.692749 0.000000\n0.000000 0.000000 10.226558\nRb Be F\n8 4 16\ndirect\n0.247528 0.484306 0.810161 Rb\n0.747528 0.515694 0.189839 Rb\n0.747528 0.015694 0.310161 Rb\n0.247528 0.984306 0.689839 Rb\n0.247518 0.161649 0.094552 Rb\n0.747518 0.838351 0.905448 Rb\n0.747518 0.338351 0.594552 Rb\n0.247518 0.661649 0.405448 Rb\n0.247551 0.238945 0.418485 Be\n0.747550 0.261055 0.918486 Be\n0.247551 0.738945 0.081515 Be\n0.747550 0.761055 0.581515 Be\n0.747495 0.693037 0.435903 F\n0.247495 0.306963 0.564097 F\n0.247596 0.535481 0.089388 F\n0.747596 0.464519 0.910613 F\n0.747596 0.964519 0.589388 F\n0.247596 0.035481 0.410613 F\n0.966185 0.187233 0.849166 F\n0.528925 0.187277 0.849117 F\n0.466185 0.812767 0.150834 F\n0.466185 0.312767 0.349166 F\n0.028926 0.312723 0.349117 F\n0.528925 0.687277 0.650883 F\n0.747495 0.193037 0.064097 F\n0.028926 0.812723 0.150883 F\n0.966185 0.687233 0.650834 F\n0.247495 0.806963 0.935903 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Be",
"F"
],
"chemical_system": "Be-F-Rb",
"density": 3.6860070512922256,
"density_atomic": 0.06071060654793989,
"volume": 461.20441866924705,
"volume_molar": 9.91942117271492,
"formula_full": "Rb8 Be4 F16",
"formula_reduced": "Rb2BeF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-51596",
"created_at": "2022-09-04T14:37:40.449079Z",
"updated_at": "2022-09-04T14:37:40.449105Z",
"structure_string": "Tm10 Ni2 Pb6\n1.0\n4.494847 -7.785303 -0.000000\n4.494847 7.785303 0.000000\n-0.000000 0.000000 6.589840\nTm Ni Pb\n10 2 6\ndirect\n0.237748 0.237748 0.750000 Tm\n0.666667 0.333333 0.000000 Tm\n0.000000 0.237748 0.250000 Tm\n0.666667 0.333333 0.500000 Tm\n0.762252 0.000000 0.750000 Tm\n0.333333 0.666667 0.000000 Tm\n0.000000 0.762252 0.750000 Tm\n0.333333 0.666667 0.500000 Tm\n0.237748 0.000000 0.250000 Tm\n0.762253 0.762253 0.250000 Tm\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.600335 0.000000 0.250000 Pb\n0.000000 0.600335 0.250000 Pb\n0.000000 0.399665 0.750000 Pb\n0.600335 0.600335 0.750000 Pb\n0.399665 0.000000 0.750000 Pb\n0.399665 0.399665 0.250000 Pb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tm",
"Ni",
"Pb"
],
"chemical_system": "Ni-Pb-Tm",
"density": 10.981041016120455,
"density_atomic": 0.03902808176409446,
"volume": 461.2063720887216,
"volume_molar": 15.430276067373425,
"formula_full": "Tm10 Ni2 Pb6",
"formula_reduced": "Tm5NiPb3",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.061464012222222,
"spacegroup": 193
},
{
"id": "jvasp-116709",
"created_at": "2022-09-04T14:38:44.037269Z",
"updated_at": "2022-09-04T14:38:44.037292Z",
"structure_string": "Cr8 Fe3 Cu1 S16\n1.0\n6.886443 -0.000000 0.000000\n0.000000 9.725987 0.000000\n0.000000 -0.000000 6.886443\nCr Fe Cu S\n8 3 1 16\ndirect\n0.250000 0.748468 0.250074 Cr\n0.750000 0.251463 0.749505 Cr\n0.750000 0.251463 0.250494 Cr\n0.250000 0.748468 0.749926 Cr\n0.500074 0.501532 -0.000000 Cr\n0.999505 -0.001463 0.500000 Cr\n-0.000074 0.501532 -0.000000 Cr\n0.500494 -0.001463 0.500000 Cr\n0.250000 0.374165 0.500000 Fe\n0.750000 0.875835 -0.000000 Fe\n0.750000 0.625000 0.500000 Fe\n0.250000 0.125000 -0.000000 Cu\n0.492779 0.750659 0.500000 S\n0.983326 0.260045 -0.000000 S\n0.250000 0.989955 0.266674 S\n0.750000 0.499342 0.757221 S\n0.250000 0.989955 0.733326 S\n0.750000 0.499342 0.242779 S\n0.994115 0.245429 0.500000 S\n0.750000 0.004571 0.255884 S\n0.505884 0.245429 0.500000 S\n0.007493 0.748331 -0.000000 S\n0.750000 0.004571 0.744115 S\n0.250000 0.501670 0.242507 S\n0.516673 0.260045 -0.000000 S\n0.250000 0.501670 0.757493 S\n0.492506 0.748331 -0.000000 S\n0.007221 0.750659 0.500000 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cr",
"Fe",
"Cu",
"S"
],
"chemical_system": "Cr-Cu-Fe-S",
"density": 4.176544439615086,
"density_atomic": 0.06070639345372918,
"volume": 461.23642679155023,
"volume_molar": 9.920109592064822,
"formula_full": "Cr8 Fe3 Cu1 S16",
"formula_reduced": "Cr8Fe3CuS16",
"formula_anonymous": "AB3C8D16",
"energy_above_hull": 3.575503433928572,
"spacegroup": 115
},
{
"id": "jvasp-33984",
"created_at": "2022-09-04T14:38:36.026711Z",
"updated_at": "2022-09-04T14:38:36.026738Z",
"structure_string": "Te11 Mo6 S1\n1.0\n-0.361757 -6.113159 -0.000948\n0.001454 -0.002317 14.202459\n-5.113262 3.369928 0.001160\nTe Mo S\n11 6 1\ndirect\n0.333325 0.379464 0.001632 Te\n0.667807 0.122595 0.667794 Te\n0.666678 0.618565 0.000026 Te\n0.000002 0.871135 0.666685 Te\n0.001653 0.379465 0.333305 Te\n0.998846 0.122595 0.333314 Te\n0.000004 0.618565 0.666692 Te\n0.333343 0.881755 0.333359 Te\n0.666679 0.871135 0.000019 Te\n0.333326 0.122595 0.998832 Te\n0.664998 0.379465 0.664977 Te\n0.650704 0.745580 0.650722 Mo\n0.666658 0.251369 -0.000027 Mo\n0.015983 0.745580 0.333361 Mo\n-0.000010 0.251369 0.666639 Mo\n0.333344 0.745580 0.016003 Mo\n0.333324 0.250097 0.333307 Mo\n0.333346 0.643088 0.333369 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 7.2407547534672805,
"density_atomic": 0.03902377800898339,
"volume": 461.25723644328707,
"volume_molar": 15.431977802389314,
"formula_full": "Te11 Mo6 S1",
"formula_reduced": "Te11Mo6S",
"formula_anonymous": "AB6C11",
"energy_above_hull": 3.3262817129629627,
"spacegroup": 157
},
{
"id": "jvasp-116612",
"created_at": "2022-09-04T14:38:43.507727Z",
"updated_at": "2022-09-04T14:38:43.507747Z",
"structure_string": "Lu4 Al18 Ir6\n1.0\n7.503671 0.001573 0.000000\n-3.706027 6.524603 0.000000\n0.000000 -0.000000 9.420392\nLu Al Ir\n4 18 6\ndirect\n0.995775 0.672120 0.250000 Lu\n0.004224 0.327879 0.750000 Lu\n0.672120 0.995775 0.250000 Lu\n0.327879 0.004224 0.750000 Lu\n0.450389 0.660658 0.750000 Al\n0.549610 0.339341 0.250000 Al\n0.660658 0.450389 0.750000 Al\n0.339341 0.549610 0.250000 Al\n0.332814 0.332814 0.942969 Al\n0.667185 0.667185 0.057031 Al\n0.667185 0.667185 0.442969 Al\n0.332814 0.332814 0.557030 Al\n0.335369 0.000474 0.075787 Al\n0.664630 0.999525 0.575787 Al\n0.000474 0.335369 0.424213 Al\n0.335369 0.000474 0.424213 Al\n0.999525 0.664630 0.575787 Al\n0.999525 0.664630 0.924213 Al\n0.000474 0.335369 0.075787 Al\n0.871364 0.871364 0.750000 Al\n0.128635 0.128635 0.250000 Al\n0.664630 0.999525 0.924213 Al\n0.000000 0.000000 0.000000 Ir\n0.672275 0.327724 -0.000000 Ir\n0.327724 0.672275 -0.000000 Ir\n0.327724 0.672275 0.500000 Ir\n0.672275 0.327724 0.500000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Lu",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-Lu",
"density": 8.419777643981874,
"density_atomic": 0.06070290450534741,
"volume": 461.2629367270793,
"volume_molar": 9.920679758362306,
"formula_full": "Lu4 Al18 Ir6",
"formula_reduced": "Lu2(Al3Ir)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.740880714285714,
"spacegroup": 63
},
{
"id": "jvasp-98614",
"created_at": "2022-09-04T14:36:15.941607Z",
"updated_at": "2022-09-04T14:36:15.941623Z",
"structure_string": "Li4 Al4 Si4 H8 O20\n1.0\n4.950955 0.000000 0.000000\n0.000000 8.199109 0.000000\n0.000000 0.000000 11.364242\nLi Al Si H O\n4 4 4 8 20\ndirect\n-0.083921 0.019121 0.593901 Li\n-0.083921 0.480880 0.093901 Li\n0.416079 -0.019121 0.406099 Li\n0.416079 0.519121 0.906099 Li\n0.450138 0.658605 0.288726 Al\n-0.049862 0.158604 0.211274 Al\n0.450138 0.841396 0.788726 Al\n-0.049862 0.341396 0.711274 Al\n0.858754 0.693681 0.721751 Si\n0.358755 0.306319 0.278249 Si\n0.358755 0.193681 0.778249 Si\n0.858754 0.806319 0.221751 Si\n-0.018340 0.692981 0.953564 H\n0.481659 0.307019 0.046436 H\n0.702678 0.226993 0.445954 H\n0.202678 0.726993 0.054046 H\n-0.018340 0.807019 0.453564 H\n0.481659 0.192981 0.546435 H\n0.202678 0.773007 0.554046 H\n0.702678 0.273007 -0.054046 H\n0.141510 0.852729 0.495159 O\n0.182771 0.188518 0.650522 O\n0.674789 0.266204 0.262845 O\n0.682770 0.811482 0.349478 O\n0.641509 0.147271 0.504841 O\n-0.157289 -0.023274 0.149217 O\n0.174789 0.766204 0.237155 O\n0.342710 0.023274 0.850783 O\n0.188809 0.350915 0.833254 O\n0.188809 0.149085 0.333254 O\n0.174789 0.733796 0.737155 O\n0.674789 0.233796 0.762845 O\n0.141510 0.647271 0.995159 O\n0.688808 0.850915 0.666745 O\n0.682770 0.688518 0.849478 O\n0.182771 0.311482 0.150522 O\n0.688808 0.649085 0.166745 O\n0.641509 0.352729 0.004841 O\n0.342710 0.476726 0.350783 O\n-0.157289 0.523275 0.649217 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"Al",
"Si",
"H",
"O"
],
"chemical_system": "Al-H-Li-O-Si",
"density": 2.073664787356227,
"density_atomic": 0.08670894036937643,
"volume": 461.3134450680828,
"volume_molar": 6.9452362517013055,
"formula_full": "Li4 Al4 Si4 H8 O20",
"formula_reduced": "LiAlSiH2O5",
"formula_anonymous": "ABCD2E5",
"energy_above_hull": 2.4937628899999997,
"spacegroup": 33
},
{
"id": "jvasp-20805",
"created_at": "2022-09-04T14:37:55.463123Z",
"updated_at": "2022-09-04T14:37:55.463147Z",
"structure_string": "Ca10 Zn6\n1.0\n7.076486 -0.000000 -3.249124\n-1.491815 6.917453 -3.249124\n0.028042 0.034735 9.391816\nCa Zn\n10 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.500000 0.000001 Ca\n0.318146 0.818145 0.295338 Ca\n0.477193 0.318145 0.295338 Ca\n0.818146 0.977192 0.295339 Ca\n0.522808 0.681854 0.704663 Ca\n0.181855 0.022807 0.704662 Ca\n0.022807 0.522807 0.704663 Ca\n0.681855 0.181854 0.704663 Ca\n0.977193 0.477192 0.295339 Ca\n0.250000 0.250000 0.500000 Zn\n0.750001 0.749999 0.500001 Zn\n0.381455 0.881454 0.000001 Zn\n0.118546 0.381454 0.000000 Zn\n0.881455 0.618546 0.000001 Zn\n0.618546 0.118546 0.000000 Zn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 2.8551618454444343,
"density_atomic": 0.034681693486239236,
"volume": 461.3384870132818,
"volume_molar": 17.364033167496345,
"formula_full": "Ca10 Zn6",
"formula_reduced": "Ca5Zn3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.0,
"spacegroup": 140
}
]
}