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=elements&page=4605",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4603",
"results": [
{
"id": "jvasp-24285",
"created_at": "2022-09-04T14:38:16.942440Z",
"updated_at": "2022-09-04T14:38:16.942457Z",
"structure_string": "Na8 Al6 Ge6 Cl2 O24\n1.0\n9.097475 -0.000000 0.000000\n0.000000 9.097475 0.000000\n0.000000 -0.000000 9.097475\nNa Al Ge Cl O\n8 6 6 2 24\ndirect\n0.171253 0.828746 0.828746 Na\n0.328747 0.671253 0.328747 Na\n0.671253 0.328747 0.328747 Na\n0.828746 0.171253 0.828746 Na\n0.328747 0.328747 0.671253 Na\n0.671253 0.671253 0.671253 Na\n0.171253 0.171253 0.171253 Na\n0.828746 0.828746 0.171253 Na\n0.250000 0.000000 0.500000 Al\n0.500000 0.250000 0.000000 Al\n0.750000 0.000000 0.500000 Al\n0.000000 0.500000 0.750000 Al\n0.000000 0.500000 0.250000 Al\n0.500000 0.750000 0.000000 Al\n0.000000 0.250000 0.500000 Ge\n0.000000 0.750000 0.500000 Ge\n0.250000 0.500000 0.000000 Ge\n0.750000 0.500000 0.000000 Ge\n0.500000 0.000000 0.250000 Ge\n0.500000 0.000000 0.750000 Ge\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 Cl\n0.857354 0.422817 0.857275 O\n0.142724 0.142645 0.422817 O\n0.142645 0.577182 0.857275 O\n0.922817 0.642645 0.642724 O\n0.077183 0.357355 0.642724 O\n0.357276 0.077183 0.642645 O\n0.142645 0.422817 0.142724 O\n0.857275 0.142645 0.577182 O\n0.422817 0.142724 0.142645 O\n0.922817 0.357355 0.357276 O\n0.857354 0.577182 0.142724 O\n0.642724 0.922817 0.642645 O\n0.357276 0.922817 0.357355 O\n0.642645 0.642724 0.922817 O\n0.422817 0.857275 0.857354 O\n0.857275 0.857354 0.422817 O\n0.642724 0.077183 0.357355 O\n0.642645 0.357276 0.077183 O\n0.577182 0.857275 0.142645 O\n0.142724 0.857354 0.577182 O\n0.577182 0.142724 0.857354 O\n0.077183 0.642645 0.357276 O\n0.357355 0.642724 0.077183 O\n0.357355 0.357276 0.922817 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Na",
"Al",
"Ge",
"Cl",
"O"
],
"chemical_system": "Al-Cl-Ge-Na-O",
"density": 2.7270575208847525,
"density_atomic": 0.06109352996351931,
"volume": 752.9438882884639,
"volume_molar": 9.857247999249664,
"formula_full": "Na8 Al6 Ge6 Cl2 O24",
"formula_reduced": "Na4Al3Ge3ClO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 1.7604016659782609,
"spacegroup": 218
},
{
"id": "jvasp-52936",
"created_at": "2022-09-04T14:36:58.488129Z",
"updated_at": "2022-09-04T14:36:58.488155Z",
"structure_string": "Na2 Al2 H4 C2 O10\n1.0\n-3.372025 5.196913 2.811792\n3.372025 -5.196913 2.811792\n3.372025 5.196913 -2.811792\nNa Al H C O\n2 2 4 2 10\ndirect\n0.000033 0.990883 0.490916 Na\n-0.000033 0.490884 -0.009149 Na\n0.500000 0.491013 0.991013 Al\n-0.000000 0.991013 0.991013 Al\n0.279512 0.936344 0.715856 H\n0.720488 0.436345 0.656832 H\n0.720518 0.045706 0.266225 H\n0.279481 0.545705 0.325186 H\n0.500436 0.241004 0.241440 C\n0.499563 0.741003 0.740567 C\n0.775228 0.557735 0.832964 O\n0.622494 0.241022 0.363515 O\n0.377506 0.741021 0.618527 O\n0.764408 0.942524 0.803882 O\n0.235591 0.039474 0.178116 O\n0.638641 0.442525 0.178116 O\n0.361358 0.539474 0.803882 O\n0.224764 0.424290 0.149054 O\n0.775235 0.924290 0.199527 O\n0.224771 0.057736 0.782507 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Na",
"Al",
"H",
"C",
"O"
],
"chemical_system": "Al-C-H-Na-O",
"density": 2.4263125945235813,
"density_atomic": 0.10147301888389282,
"volume": 197.09672797735865,
"volume_molar": 5.9347211960754205,
"formula_full": "Na2 Al2 H4 C2 O10",
"formula_reduced": "NaAlH2CO5",
"formula_anonymous": "ABCD2E5",
"energy_above_hull": 2.70608893,
"spacegroup": 74
},
{
"id": "jvasp-51741",
"created_at": "2022-09-04T14:37:31.435797Z",
"updated_at": "2022-09-04T14:37:31.435812Z",
"structure_string": "Na4 Al2 H8 Cl2 O8\n1.0\n7.572714 0.000000 0.000000\n0.000000 7.572714 -0.000000\n0.000000 -0.000000 4.984620\nNa Al H Cl O\n4 2 8 2 8\ndirect\n0.250000 0.250000 0.500000 Na\n0.750000 0.750000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.750000 0.250000 0.500000 Na\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.705710 0.105510 H\n0.000000 0.294290 0.105510 H\n0.500000 0.794290 0.894490 H\n0.500000 0.205710 0.894490 H\n0.705710 0.000000 0.894490 H\n0.794290 0.500000 0.105510 H\n0.205710 0.500000 0.105510 H\n0.294290 0.000000 0.894490 H\n0.000000 0.500000 0.768779 Cl\n0.500000 0.000000 0.231221 Cl\n0.000000 0.187239 0.216831 O\n0.312760 0.500000 0.216831 O\n0.687239 0.500000 0.216831 O\n0.812760 0.000000 0.783169 O\n0.187239 0.000000 0.783169 O\n0.500000 0.687239 0.783169 O\n0.500000 0.312760 0.783169 O\n0.000000 0.812760 0.216831 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"Al",
"H",
"Cl",
"O"
],
"chemical_system": "Al-Cl-H-Na-O",
"density": 2.0499791156807414,
"density_atomic": 0.08396070486494489,
"volume": 285.8480051901093,
"volume_molar": 7.17257051341687,
"formula_full": "Na4 Al2 H8 Cl2 O8",
"formula_reduced": "Na2AlH4ClO4",
"formula_anonymous": "ABC2D4E4",
"energy_above_hull": 1.9170457389583335,
"spacegroup": 129
},
{
"id": "jvasp-45953",
"created_at": "2022-09-04T14:38:04.804191Z",
"updated_at": "2022-09-04T14:38:04.804220Z",
"structure_string": "Na4 Al2 P2 C2 O14\n1.0\n0.000000 5.136402 -0.022426\n6.361425 0.000000 0.000000\n0.000000 -0.235279 -8.831241\nNa Al P C O\n4 2 2 2 14\ndirect\n0.772547 0.508130 0.224404 Na\n0.772547 0.991871 0.224404 Na\n0.227452 0.491871 0.775596 Na\n0.227452 0.008129 0.775596 Na\n0.217786 0.250000 0.352313 Al\n0.782213 0.750001 0.647687 Al\n0.278836 0.750001 0.429780 P\n0.721164 0.250000 0.570220 P\n0.292440 0.250000 0.085435 C\n0.707559 0.750001 0.914565 C\n0.526884 0.750001 0.804950 O\n0.790917 0.052687 0.663083 O\n0.790917 0.447314 0.663083 O\n0.123681 0.750001 0.578378 O\n0.422415 0.250000 0.530389 O\n0.577585 0.750001 0.469612 O\n0.058547 0.250000 0.141242 O\n0.209082 0.552687 0.336917 O\n0.209082 0.947314 0.336917 O\n0.473115 0.250000 0.195051 O\n0.941453 0.750001 0.858758 O\n0.656158 0.750001 0.052464 O\n0.876319 0.250000 0.421623 O\n0.343841 0.250000 0.947536 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"Al",
"P",
"C",
"O"
],
"chemical_system": "Al-C-Na-O-P",
"density": 2.623110102631917,
"density_atomic": 0.08316212406595462,
"volume": 288.59291738347093,
"volume_molar": 7.241446545092971,
"formula_full": "Na4 Al2 P2 C2 O14",
"formula_reduced": "Na2AlPCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.464562566666666,
"spacegroup": 11
},
{
"id": "jvasp-97011",
"created_at": "2022-09-04T14:36:21.237413Z",
"updated_at": "2022-09-04T14:36:21.237439Z",
"structure_string": "Na12 Al4 P12 N4 O36\n1.0\n9.311966 -0.000000 0.000000\n-0.000000 9.311966 0.000000\n0.000000 0.000000 9.311966\nNa Al P N O\n12 4 12 4 36\ndirect\n0.762894 0.737107 0.262894 Na\n0.737107 0.262894 0.762894 Na\n0.262894 0.762894 0.737107 Na\n0.237106 0.237106 0.237106 Na\n0.141956 0.358044 0.641956 Na\n0.358044 0.641956 0.141956 Na\n0.641956 0.141956 0.358044 Na\n0.451902 0.451902 0.451902 Na\n0.858044 0.858044 0.858044 Na\n0.048098 0.548098 0.951902 Na\n0.951902 0.048098 0.548098 Na\n0.548098 0.951902 0.048098 Na\n0.168833 0.831167 0.331167 Al\n0.668834 0.668834 0.668834 Al\n0.831167 0.331167 0.168833 Al\n0.331167 0.168833 0.831167 Al\n0.328375 0.079994 0.508821 P\n0.008821 0.171625 0.920007 P\n0.920007 0.008821 0.171625 P\n0.991179 0.671625 0.579994 P\n0.491179 0.828375 0.420007 P\n0.579994 0.991179 0.671625 P\n0.828375 0.420007 0.491179 P\n0.671625 0.579994 0.991179 P\n0.420007 0.491179 0.828375 P\n0.079994 0.508821 0.328375 P\n0.171625 0.920007 0.008821 P\n0.508821 0.328375 0.079994 P\n0.942548 0.557453 0.442548 N\n0.557453 0.442548 0.942548 N\n0.442548 0.942548 0.557453 N\n0.057452 0.057452 0.057452 N\n0.983798 0.902755 0.281686 O\n0.148564 0.249203 0.878827 O\n0.378826 0.351437 0.750798 O\n0.121174 0.648564 0.250798 O\n0.648564 0.250798 0.121174 O\n0.250798 0.121174 0.648564 O\n0.940234 0.086570 0.800176 O\n0.059767 0.586570 0.699825 O\n0.300175 0.559767 0.913430 O\n0.559767 0.913430 0.300175 O\n0.699825 0.059767 0.586570 O\n0.913430 0.300175 0.559767 O\n0.586570 0.699825 0.059767 O\n0.351437 0.750798 0.378826 O\n0.800176 0.940234 0.086570 O\n0.902755 0.281686 0.983798 O\n0.851437 0.749203 0.621174 O\n0.621174 0.851437 0.749203 O\n0.097245 0.781686 0.516203 O\n0.597245 0.718314 0.483798 O\n0.516203 0.097245 0.781686 O\n0.483798 0.597245 0.718314 O\n0.781686 0.516203 0.097245 O\n0.281686 0.983798 0.902755 O\n0.413430 0.199825 0.440234 O\n0.086570 0.800176 0.940234 O\n0.440234 0.413430 0.199825 O\n0.878827 0.148564 0.249203 O\n0.016203 0.402755 0.218314 O\n0.402755 0.218314 0.016203 O\n0.218314 0.016203 0.402755 O\n0.249203 0.878827 0.148564 O\n0.749203 0.621174 0.851437 O\n0.750798 0.378826 0.351437 O\n0.199825 0.440234 0.413430 O\n0.718314 0.483798 0.597245 O\n",
"nsites": 68,
"nelements": 5,
"elements": [
"Na",
"Al",
"P",
"N",
"O"
],
"chemical_system": "Al-N-Na-O-P",
"density": 2.853356143718147,
"density_atomic": 0.08421409150770363,
"volume": 807.465814599206,
"volume_molar": 7.150989403536003,
"formula_full": "Na12 Al4 P12 N4 O36",
"formula_reduced": "Na3AlP3NO9",
"formula_anonymous": "ABC3D3E9",
"energy_above_hull": 2.4651188852941166,
"spacegroup": 198
},
{
"id": "jvasp-98145",
"created_at": "2022-09-04T14:36:03.765122Z",
"updated_at": "2022-09-04T14:36:03.765146Z",
"structure_string": "Na12 Al4 P12 N4 O36\n1.0\n9.295084 -0.000000 -0.000000\n0.000000 9.295084 -0.000000\n0.000000 0.000000 9.295084\nNa Al P N O\n12 4 12 4 36\ndirect\n0.763286 0.736713 0.263287 Na\n0.736713 0.263287 0.763286 Na\n0.263287 0.763286 0.736713 Na\n0.236713 0.236713 0.236713 Na\n0.141812 0.358188 0.641812 Na\n0.358188 0.641812 0.141812 Na\n0.641812 0.141812 0.358188 Na\n0.452149 0.452149 0.452149 Na\n0.858187 0.858187 0.858187 Na\n0.047851 0.547851 0.952149 Na\n0.952149 0.047851 0.547851 Na\n0.547851 0.952149 0.047851 Na\n0.168946 0.831054 0.331054 Al\n0.668946 0.668946 0.668946 Al\n0.831054 0.331054 0.168946 Al\n0.331054 0.168946 0.831054 Al\n0.328209 0.080075 0.508780 P\n0.008780 0.171791 0.919925 P\n0.919925 0.008780 0.171791 P\n0.991219 0.671790 0.580074 P\n0.491219 0.828209 0.419925 P\n0.580074 0.991219 0.671790 P\n0.828209 0.419925 0.491219 P\n0.671790 0.580074 0.991219 P\n0.419925 0.491219 0.828209 P\n0.080075 0.508780 0.328209 P\n0.171791 0.919925 0.008780 P\n0.508780 0.328209 0.080075 P\n0.941912 0.558088 0.441912 N\n0.558088 0.441912 0.941912 N\n0.441912 0.941912 0.558088 N\n0.058088 0.058088 0.058088 N\n0.983547 0.902322 0.282109 O\n0.148629 0.249943 0.878739 O\n0.378739 0.351370 0.750057 O\n0.121260 0.648629 0.250057 O\n0.648629 0.250057 0.121260 O\n0.250057 0.121260 0.648629 O\n0.940196 0.086383 0.799965 O\n0.059803 0.586382 0.700035 O\n0.299965 0.559803 0.913617 O\n0.559803 0.913617 0.299965 O\n0.700035 0.059803 0.586382 O\n0.913617 0.299965 0.559803 O\n0.586382 0.700035 0.059803 O\n0.351370 0.750057 0.378739 O\n0.799965 0.940196 0.086383 O\n0.902322 0.282109 0.983547 O\n0.851370 0.749943 0.621260 O\n0.621260 0.851370 0.749943 O\n0.097677 0.782109 0.516452 O\n0.597677 0.717891 0.483547 O\n0.516452 0.097677 0.782109 O\n0.483547 0.597677 0.717891 O\n0.782109 0.516452 0.097677 O\n0.282109 0.983547 0.902322 O\n0.413617 0.200035 0.440196 O\n0.086383 0.799965 0.940196 O\n0.440196 0.413617 0.200035 O\n0.878739 0.148629 0.249943 O\n0.016453 0.402323 0.217891 O\n0.402323 0.217891 0.016453 O\n0.217891 0.016453 0.402323 O\n0.249943 0.878739 0.148629 O\n0.749943 0.621260 0.851370 O\n0.750057 0.378739 0.351370 O\n0.200035 0.440196 0.413617 O\n0.717891 0.483547 0.597677 O\n",
"nsites": 68,
"nelements": 5,
"elements": [
"Na",
"Al",
"P",
"N",
"O"
],
"chemical_system": "Al-N-Na-O-P",
"density": 2.8689314412993223,
"density_atomic": 0.08467378159533905,
"volume": 803.082119622057,
"volume_molar": 7.112167009122332,
"formula_full": "Na12 Al4 P12 N4 O36",
"formula_reduced": "Na3AlP3NO9",
"formula_anonymous": "ABC3D3E9",
"energy_above_hull": 2.4643777088235286,
"spacegroup": 198
},
{
"id": "jvasp-58408",
"created_at": "2022-09-04T14:37:37.888399Z",
"updated_at": "2022-09-04T14:37:37.888423Z",
"structure_string": "Na2 Al2 P2 O8 F2\n1.0\n5.067300 -0.013886 -1.388030\n-1.711965 4.769371 -1.388030\n0.001402 0.001986 6.934571\nNa Al P O F\n2 2 2 8 2\ndirect\n0.332050 0.667952 0.750000 Na\n0.667951 0.332049 0.250000 Na\n-0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.682807 0.317193 0.750000 P\n0.317194 0.682807 0.250000 P\n0.304828 0.885769 0.122304 O\n0.114231 0.695173 0.377696 O\n0.238581 0.378923 0.096933 O\n0.621077 0.761419 0.403067 O\n0.761419 0.621077 0.903067 O\n0.378923 0.238581 0.596933 O\n0.695173 0.114231 0.877696 O\n0.885769 0.304827 0.622304 O\n0.929458 0.070541 0.250000 F\n0.070542 0.929459 0.750000 F\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Na",
"Al",
"P",
"O",
"F"
],
"chemical_system": "Al-F-Na-O-P",
"density": 3.2513545350538253,
"density_atomic": 0.09554708559444527,
"volume": 167.45670368129132,
"volume_molar": 6.302799004839666,
"formula_full": "Na2 Al2 P2 O8 F2",
"formula_reduced": "NaAlPO4F",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 1.5991476978125,
"spacegroup": 15
},
{
"id": "jvasp-23880",
"created_at": "2022-09-04T14:37:38.537549Z",
"updated_at": "2022-09-04T14:37:38.537575Z",
"structure_string": "Na8 Al6 Si6 Br2 O24\n1.0\n8.980926 -0.000000 0.000000\n0.000000 8.980926 0.000000\n-0.000000 -0.000000 8.980926\nNa Al Si Br O\n8 6 6 2 24\ndirect\n0.183609 0.183609 0.183609 Na\n0.683609 0.683609 0.683609 Na\n0.316392 0.683609 0.316392 Na\n0.316392 0.316392 0.683609 Na\n0.683609 0.316392 0.316392 Na\n0.816392 0.816392 0.183609 Na\n0.816392 0.183609 0.816392 Na\n0.183609 0.816392 0.816392 Na\n0.000000 0.750000 0.500000 Al\n0.250000 0.500000 0.000000 Al\n0.500000 0.000000 0.750000 Al\n0.750000 0.500000 0.000000 Al\n0.000000 0.250000 0.500000 Al\n0.500000 0.000000 0.250000 Al\n0.500000 0.250000 0.000000 Si\n0.500000 0.750000 0.000000 Si\n0.000000 0.500000 0.250000 Si\n0.000000 0.500000 0.750000 Si\n0.250000 0.000000 0.500000 Si\n0.750000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 Br\n0.360571 0.649496 0.061930 O\n0.139429 0.438070 0.149496 O\n0.938070 0.360571 0.350504 O\n0.061930 0.639429 0.350504 O\n0.149496 0.139429 0.438070 O\n0.438070 0.149496 0.139429 O\n0.561931 0.850505 0.139429 O\n0.149496 0.860571 0.561931 O\n0.561931 0.149496 0.860571 O\n0.850505 0.860571 0.438070 O\n0.850505 0.139429 0.561931 O\n0.350504 0.061930 0.639429 O\n0.139429 0.561931 0.850505 O\n0.860571 0.438070 0.850505 O\n0.860571 0.561931 0.149496 O\n0.061930 0.360571 0.649496 O\n0.938070 0.639429 0.649496 O\n0.350504 0.938070 0.360571 O\n0.649496 0.938070 0.639429 O\n0.639429 0.350504 0.061930 O\n0.639429 0.649496 0.938070 O\n0.360571 0.350504 0.938070 O\n0.438070 0.850505 0.860571 O\n0.649496 0.061930 0.360571 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Na",
"Al",
"Si",
"Br",
"O"
],
"chemical_system": "Al-Br-Na-O-Si",
"density": 2.425594495573015,
"density_atomic": 0.06350303438563736,
"volume": 724.3748341323976,
"volume_molar": 9.483233074232503,
"formula_full": "Na8 Al6 Si6 Br2 O24",
"formula_reduced": "Na4Al3Si3BrO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 2.116978969782609,
"spacegroup": 218
},
{
"id": "jvasp-23878",
"created_at": "2022-09-04T14:37:38.402027Z",
"updated_at": "2022-09-04T14:37:38.402054Z",
"structure_string": "Na8 Al6 Si6 Cl2 O24\n1.0\n8.925604 -0.000000 0.000000\n0.000000 8.925604 -0.000000\n-0.000000 -0.000000 8.925604\nNa Al Si Cl O\n8 6 6 2 24\ndirect\n0.324315 0.324315 0.675685 Na\n0.675685 0.324315 0.324315 Na\n0.675685 0.675685 0.675685 Na\n0.175685 0.175685 0.175685 Na\n0.175685 0.824315 0.824315 Na\n0.824315 0.824315 0.175685 Na\n0.324315 0.675685 0.324315 Na\n0.824315 0.175685 0.824315 Na\n0.750000 0.000000 0.500000 Al\n0.000000 0.500000 0.750000 Al\n0.500000 0.250000 0.000000 Al\n0.500000 0.750000 0.000000 Al\n0.250000 0.000000 0.500000 Al\n0.000000 0.500000 0.250000 Al\n0.500000 0.000000 0.750000 Si\n0.750000 0.500000 0.000000 Si\n0.000000 0.750000 0.500000 Si\n0.250000 0.500000 0.000000 Si\n0.000000 0.250000 0.500000 Si\n0.500000 0.000000 0.250000 Si\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.351486 0.361710 0.933764 O\n0.851485 0.566235 0.138290 O\n0.933764 0.351486 0.361710 O\n0.851485 0.433764 0.861710 O\n0.861710 0.148514 0.566235 O\n0.933764 0.648514 0.638289 O\n0.566235 0.138290 0.851485 O\n0.066235 0.648514 0.361710 O\n0.148514 0.433764 0.138290 O\n0.351486 0.638289 0.066235 O\n0.148514 0.566235 0.861710 O\n0.361710 0.066235 0.648514 O\n0.648514 0.638289 0.933764 O\n0.566235 0.861710 0.148514 O\n0.138290 0.148514 0.433764 O\n0.638289 0.933764 0.648514 O\n0.066235 0.351486 0.638289 O\n0.138290 0.851485 0.566235 O\n0.433764 0.138290 0.148514 O\n0.648514 0.361710 0.066235 O\n0.861710 0.851485 0.433764 O\n0.638289 0.066235 0.351486 O\n0.361710 0.933764 0.351486 O\n0.433764 0.861710 0.851485 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Na",
"Al",
"Si",
"Cl",
"O"
],
"chemical_system": "Al-Cl-Na-O-Si",
"density": 2.2633672607937587,
"density_atomic": 0.06469116728191819,
"volume": 711.0707988856688,
"volume_molar": 9.309061828728584,
"formula_full": "Na8 Al6 Si6 Cl2 O24",
"formula_reduced": "Na4Al3Si3ClO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 2.1263498377173917,
"spacegroup": 218
},
{
"id": "jvasp-113077",
"created_at": "2022-09-04T14:38:42.151358Z",
"updated_at": "2022-09-04T14:38:42.151375Z",
"structure_string": "Na4 Al3 Si3 Cl1 O12\n1.0\n6.300551 -0.019019 4.411558\n0.002271 6.300580 4.411558\n-0.013340 -0.013295 8.834682\nNa Al Si Cl O\n4 3 3 1 12\ndirect\n0.644945 -0.001002 0.347825 Na\n0.348140 -0.003875 0.003985 Na\n0.003875 0.651860 -0.003984 Na\n0.001002 0.355055 0.652175 Na\n0.748674 0.251326 0.500000 Al\n0.249000 0.252149 0.258594 Al\n0.747851 0.751000 0.741406 Al\n0.491086 0.488272 0.758695 Si\n0.253626 0.746374 0.500000 Si\n0.511728 0.508914 0.241305 Si\n0.999646 0.000353 0.000000 Cl\n0.997689 0.290755 0.435137 O\n0.710271 0.448358 0.280211 O\n0.289403 0.423055 0.997061 O\n0.012004 0.698174 0.698380 O\n0.551642 0.289729 0.719789 O\n0.709245 0.002311 0.564863 O\n0.301826 0.987996 0.301621 O\n0.414976 0.696342 0.588044 O\n0.436058 0.303296 0.284260 O\n0.696704 0.563942 0.715740 O\n0.576945 0.710597 0.002939 O\n0.303658 0.585024 0.411957 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Na",
"Al",
"Si",
"Cl",
"O"
],
"chemical_system": "Al-Cl-Na-O-Si",
"density": 2.289656876110772,
"density_atomic": 0.06544257246998021,
"volume": 351.4531769140119,
"volume_molar": 9.202176095327662,
"formula_full": "Na4 Al3 Si3 Cl1 O12",
"formula_reduced": "Na4Al3Si3ClO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 2.126910707282609,
"spacegroup": 5
},
{
"id": "jvasp-23952",
"created_at": "2022-09-04T14:37:41.363224Z",
"updated_at": "2022-09-04T14:37:41.363234Z",
"structure_string": "Na8 Al6 Si6 I2 O24\n1.0\n9.060153 -0.000000 0.000000\n0.000000 9.060153 -0.000000\n-0.000000 -0.000000 9.060153\nNa Al Si I O\n8 6 6 2 24\ndirect\n0.696186 0.303814 0.303814 Na\n0.303814 0.303814 0.696186 Na\n0.196186 0.803814 0.803814 Na\n0.803814 0.196186 0.803814 Na\n0.696186 0.696186 0.696186 Na\n0.303814 0.696186 0.303814 Na\n0.196186 0.196186 0.196186 Na\n0.803814 0.803814 0.196186 Na\n0.750000 0.500000 0.000000 Al\n0.000000 0.750000 0.500000 Al\n0.000000 0.250000 0.500000 Al\n0.500000 0.000000 0.250000 Al\n0.250000 0.500000 0.000000 Al\n0.500000 0.000000 0.750000 Al\n0.500000 0.750000 0.000000 Si\n0.250000 0.000000 0.500000 Si\n0.750000 0.000000 0.500000 Si\n0.500000 0.250000 0.000000 Si\n0.000000 0.500000 0.250000 Si\n0.000000 0.500000 0.750000 Si\n0.500000 0.500000 0.500000 I\n0.000000 0.000000 0.000000 I\n0.555143 0.849075 0.141083 O\n0.641083 0.349076 0.055143 O\n0.650924 0.944857 0.641083 O\n0.358917 0.650924 0.055143 O\n0.444857 0.150924 0.141083 O\n0.849075 0.141083 0.555143 O\n0.055143 0.358917 0.650924 O\n0.555143 0.150924 0.858917 O\n0.349076 0.944857 0.358917 O\n0.944857 0.641083 0.650924 O\n0.858917 0.555143 0.150924 O\n0.141083 0.555143 0.849075 O\n0.849075 0.858917 0.444857 O\n0.944857 0.358917 0.349076 O\n0.055143 0.641083 0.349076 O\n0.858917 0.444857 0.849075 O\n0.150924 0.141083 0.444857 O\n0.150924 0.858917 0.555143 O\n0.141083 0.444857 0.150924 O\n0.641083 0.650924 0.944857 O\n0.349076 0.055143 0.641083 O\n0.358917 0.349076 0.944857 O\n0.650924 0.055143 0.358917 O\n0.444857 0.849075 0.858917 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Na",
"Al",
"Si",
"I",
"O"
],
"chemical_system": "Al-I-Na-O-Si",
"density": 2.572398841377291,
"density_atomic": 0.061851642426549974,
"volume": 743.7150930086601,
"volume_molar": 9.736428207466615,
"formula_full": "Na8 Al6 Si6 I2 O24",
"formula_reduced": "Na4Al3Si3IO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 2.104959933695652,
"spacegroup": 218
},
{
"id": "jvasp-52774",
"created_at": "2022-09-04T14:37:37.155113Z",
"updated_at": "2022-09-04T14:37:37.155127Z",
"structure_string": "Na4 B2 H8 Cl2 O8\n1.0\n7.246402 0.000000 0.000000\n0.000000 7.246402 0.000000\n0.000000 0.000000 4.800888\nNa B H Cl O\n4 2 8 2 8\ndirect\n0.750000 0.250000 0.500000 Na\n0.750000 0.750000 0.500000 Na\n0.250000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 B\n0.000000 0.000000 0.000000 B\n0.272060 0.000000 0.064147 H\n0.727940 0.000000 0.064147 H\n0.500000 0.227940 0.064147 H\n0.500000 0.772060 0.064147 H\n0.772060 0.500000 0.935854 H\n0.000000 0.727940 0.935854 H\n0.000000 0.272060 0.935854 H\n0.227940 0.500000 0.935854 H\n0.000000 0.500000 0.257738 Cl\n0.500000 0.000000 0.742262 Cl\n0.836128 0.000000 0.187543 O\n0.000000 0.163871 0.812457 O\n0.000000 0.836128 0.812457 O\n0.663871 0.500000 0.812457 O\n0.336128 0.500000 0.812457 O\n0.500000 0.336128 0.187543 O\n0.500000 0.663871 0.187543 O\n0.163871 0.000000 0.187543 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"B",
"H",
"Cl",
"O"
],
"chemical_system": "B-Cl-H-Na-O",
"density": 2.1114109211091723,
"density_atomic": 0.09520172571475427,
"volume": 252.09627052254686,
"volume_molar": 6.325663442324233,
"formula_full": "Na4 B2 H8 Cl2 O8",
"formula_reduced": "Na2BH4ClO4",
"formula_anonymous": "ABC2D4E4",
"energy_above_hull": 2.2104323875694445,
"spacegroup": 129
}
]
}