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=nsites&page=4548",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4546",
"results": [
{
"id": "jvasp-88176",
"created_at": "2022-09-04T14:36:19.546620Z",
"updated_at": "2022-09-04T14:36:19.546644Z",
"structure_string": "Sr8 Li4 C4 Br12 N8\n1.0\n8.945669 0.000000 5.164784\n2.981889 8.434059 5.164784\n0.000000 0.000000 10.329570\nSr Li C Br N\n8 4 4 12 8\ndirect\n0.833695 0.222102 0.222101 Sr\n0.166306 0.777898 0.777898 Sr\n0.777898 0.166305 0.777898 Sr\n0.222102 0.222102 0.833694 Sr\n0.777898 0.777898 0.166305 Sr\n0.777898 0.777898 0.777898 Sr\n0.222102 0.833695 0.222101 Sr\n0.222102 0.222102 0.222102 Sr\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 -0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.500000 -0.000000 -0.000000 C\n0.000000 0.000000 0.000000 C\n-0.000000 -0.000000 0.500000 C\n0.000000 0.500000 -0.000000 C\n0.428794 0.821206 0.821206 Br\n0.571206 0.178794 0.178793 Br\n0.428794 0.821206 0.428793 Br\n0.178794 0.571206 0.571206 Br\n0.821206 0.428794 0.821206 Br\n0.428794 0.428794 0.821206 Br\n0.821206 0.821206 0.428793 Br\n0.571206 0.178794 0.571206 Br\n0.821206 0.428794 0.428793 Br\n0.178794 0.178794 0.571206 Br\n0.571206 0.571206 0.178793 Br\n0.178794 0.571206 0.178793 Br\n0.048618 0.048618 0.354144 N\n0.354144 0.048618 0.048618 N\n0.951382 0.951382 0.645856 N\n0.951382 0.951382 0.951381 N\n0.048619 0.354144 0.048618 N\n0.048618 0.048618 0.048618 N\n0.645857 0.951382 0.951381 N\n0.951382 0.645857 0.951381 N\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Sr",
"Li",
"C",
"Br",
"N"
],
"chemical_system": "Br-C-Li-N-Sr",
"density": 3.9367825426593583,
"density_atomic": 0.04619242881339197,
"volume": 779.3484976820051,
"volume_molar": 13.037073205932135,
"formula_full": "Sr8 Li4 C4 Br12 N8",
"formula_reduced": "Sr2LiCBr3N2",
"formula_anonymous": "ABC2D2E3",
"energy_above_hull": 1.880663492777778,
"spacegroup": 227
},
{
"id": "jvasp-101374",
"created_at": "2022-09-04T14:36:32.017805Z",
"updated_at": "2022-09-04T14:36:32.017827Z",
"structure_string": "Al4 Te4 Cl28\n1.0\n6.381655 -0.023744 -0.752371\n-1.127175 8.194025 -0.455226\n0.132808 0.069729 19.340826\nAl Te Cl\n4 4 28\ndirect\n0.307884 0.098354 0.396503 Al\n0.709723 0.334589 0.877226 Al\n0.692117 0.901647 0.603497 Al\n0.290278 0.665412 0.122774 Al\n0.714863 0.274899 0.108893 Te\n0.253060 0.281999 0.619801 Te\n0.285137 0.725102 0.891107 Te\n0.746941 0.718002 0.380199 Te\n0.613700 0.049980 0.367980 Cl\n0.134190 0.966874 0.878733 Cl\n0.381725 0.147528 0.056160 Cl\n0.661219 0.130760 0.804137 Cl\n0.117092 0.163020 0.309053 Cl\n0.624303 0.291116 0.222674 Cl\n0.865408 0.740441 0.270033 Cl\n0.093866 0.715211 0.029033 Cl\n0.829666 0.113553 0.553218 Cl\n0.860847 0.550011 0.832395 Cl\n0.405695 0.587532 0.338063 Cl\n0.112703 0.526114 0.598807 Cl\n0.627227 0.696491 0.524856 Cl\n0.170335 0.886448 0.446782 Cl\n0.139154 0.449990 0.167605 Cl\n0.411185 0.392992 0.909157 Cl\n0.386300 0.950021 0.632020 Cl\n0.882909 0.836981 0.690947 Cl\n0.906134 0.284790 0.970967 Cl\n0.375697 0.708885 0.777326 Cl\n0.588816 0.607009 0.090843 Cl\n0.865811 0.033127 0.121267 Cl\n0.134593 0.259560 0.729967 Cl\n0.338781 0.869241 0.195863 Cl\n0.618275 0.852473 0.943840 Cl\n0.594306 0.412469 0.661937 Cl\n0.887298 0.473887 0.401193 Cl\n0.372774 0.303510 0.475144 Cl\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Al",
"Te",
"Cl"
],
"chemical_system": "Al-Cl-Te",
"density": 2.64362295923531,
"density_atomic": 0.03557579717300393,
"volume": 1011.9239162774958,
"volume_molar": 16.92763406175982,
"formula_full": "Al4 Te4 Cl28",
"formula_reduced": "AlTeCl7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.3172065599074074,
"spacegroup": 2
},
{
"id": "jvasp-96756",
"created_at": "2022-09-04T14:36:21.610263Z",
"updated_at": "2022-09-04T14:36:21.610291Z",
"structure_string": "Na2 V12 O22\n1.0\n5.754395 0.000000 0.000000\n-2.877197 4.983452 -0.000000\n-0.000000 0.000000 13.184266\nNa V O\n2 12 22\ndirect\n0.333333 0.666667 0.263403 Na\n0.666665 0.333332 0.763403 Na\n0.495709 0.991419 -0.000889 V\n0.666665 0.333332 0.239338 V\n0.333333 0.666667 0.739338 V\n0.000000 0.000000 0.352382 V\n0.000000 0.000000 0.852382 V\n0.000000 0.000000 0.148023 V\n0.504289 0.008580 0.499111 V\n0.495709 0.504290 -0.000889 V\n0.008580 0.504290 -0.000889 V\n0.991418 0.495711 0.499111 V\n0.000000 0.000000 0.648023 V\n0.504289 0.495711 0.499111 V\n0.829503 0.659010 0.921189 O\n0.152457 0.304916 0.751458 O\n0.340988 0.170495 0.921189 O\n0.829504 0.170495 0.921189 O\n0.170494 0.340989 0.421189 O\n0.661983 0.830992 0.080921 O\n0.170493 0.829504 0.421189 O\n0.666665 0.333332 0.410665 O\n0.333333 0.666667 0.910665 O\n0.666665 0.333332 0.086977 O\n0.333333 0.666667 0.586977 O\n0.847540 0.695083 0.251458 O\n0.169007 0.830992 0.080921 O\n0.152457 0.847542 0.751458 O\n0.304917 0.152459 0.251458 O\n0.847542 0.152459 0.251458 O\n0.659009 0.829504 0.421189 O\n0.169007 0.338014 0.080921 O\n0.830992 0.169007 0.580921 O\n0.338014 0.169007 0.580921 O\n0.695084 0.847542 0.751458 O\n0.830991 0.661985 0.580921 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Na",
"V",
"O"
],
"chemical_system": "Na-O-V",
"density": 4.432697752326179,
"density_atomic": 0.0952174605615027,
"volume": 378.08191677982154,
"volume_molar": 6.324618115718587,
"formula_full": "Na2 V12 O22",
"formula_reduced": "NaV6O11",
"formula_anonymous": "AB6C11",
"energy_above_hull": 3.4893184833333337,
"spacegroup": 186
},
{
"id": "jvasp-60632",
"created_at": "2022-09-04T14:36:10.157532Z",
"updated_at": "2022-09-04T14:36:10.157552Z",
"structure_string": "Mg6 Si4 H8 O18\n1.0\n2.677200 -4.637047 -0.000000\n2.677200 4.637047 -0.000000\n-0.000000 0.000000 14.560101\nMg Si H O\n6 4 8 18\ndirect\n0.331255 -0.000000 0.223115 Mg\n0.331255 0.331255 0.723115 Mg\n-0.000000 0.668745 0.723115 Mg\n-0.000000 0.331255 0.223115 Mg\n0.668745 -0.000000 0.723115 Mg\n0.668745 0.668745 0.223115 Mg\n0.333333 0.666667 0.030718 Si\n0.666667 0.333333 0.530718 Si\n0.333333 0.666667 0.530718 Si\n0.666667 0.333333 0.030718 Si\n0.651744 0.651744 0.856805 H\n-0.000000 0.348256 0.856805 H\n-0.000000 0.651744 0.356805 H\n0.651744 -0.000000 0.356805 H\n0.348256 -0.000000 0.856805 H\n0.000000 0.000000 0.078337 H\n0.000000 0.000000 0.578337 H\n0.348256 0.348256 0.356805 H\n-0.000000 0.665181 0.290055 O\n-0.000000 0.334819 0.790055 O\n0.665181 0.665181 0.790055 O\n0.665181 -0.000000 0.290055 O\n0.515912 -0.000000 0.488676 O\n0.515912 0.515912 0.988676 O\n-0.000000 0.484088 0.988676 O\n-0.000000 0.515912 0.488676 O\n0.484088 -0.000000 0.988676 O\n0.666667 0.333333 0.141254 O\n0.333333 0.666667 0.641254 O\n0.666667 0.333333 0.641254 O\n0.333333 0.666667 0.141254 O\n0.000000 0.000000 0.145061 O\n0.000000 0.000000 0.645061 O\n0.334819 0.334819 0.290055 O\n0.484088 0.484088 0.488676 O\n0.334819 -0.000000 0.790055 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Mg",
"Si",
"H",
"O"
],
"chemical_system": "H-Mg-O-Si",
"density": 2.545764890604976,
"density_atomic": 0.09958313708236255,
"volume": 361.50698858005813,
"volume_molar": 6.047349919313396,
"formula_full": "Mg6 Si4 H8 O18",
"formula_reduced": "Mg3Si2H4O9",
"formula_anonymous": "A2B3C4D9",
"energy_above_hull": 2.360200325,
"spacegroup": 185
},
{
"id": "jvasp-95456",
"created_at": "2022-09-04T14:36:32.049355Z",
"updated_at": "2022-09-04T14:36:32.049384Z",
"structure_string": "H24 O12\n1.0\n3.937008 -0.001740 0.000330\n0.003500 8.041685 0.000698\n-0.000713 -0.000708 8.104867\nH O\n24 12\ndirect\n0.486174 0.923573 0.649011 H\n0.513481 0.346798 0.928583 H\n0.561103 0.780689 0.775952 H\n0.736610 0.846797 0.071455 H\n0.954366 0.277612 0.718489 H\n0.986182 0.576407 0.851034 H\n0.263919 0.076396 0.149007 H\n0.644676 0.541743 0.600144 H\n0.105432 0.458238 0.100148 H\n0.892972 0.907454 0.448434 H\n0.295734 0.777613 0.281547 H\n0.795730 0.722375 0.218496 H\n0.357131 0.407462 0.551612 H\n0.454367 0.222375 0.781541 H\n0.144666 0.958246 0.899893 H\n0.188991 0.219280 0.275951 H\n0.763925 0.423565 0.351029 H\n0.392974 0.592520 0.051615 H\n0.236629 0.653191 0.428585 H\n0.061112 0.719290 0.724095 H\n0.688996 0.280680 0.224096 H\n0.013477 0.153184 0.571457 H\n0.857119 0.092523 0.948425 H\n0.605417 0.041728 0.399897 H\n0.250144 0.499623 0.007370 O\n0.383028 0.864070 0.745375 O\n0.629142 0.256460 0.864202 O\n0.867084 0.364054 0.254671 O\n0.120944 0.743515 0.364195 O\n-0.000046 0.999629 0.992671 O\n0.620962 0.756448 0.135827 O\n0.750144 0.000353 0.492675 O\n0.499993 0.500344 0.507361 O\n0.129144 0.243528 0.635830 O\n0.367078 0.135907 0.245365 O\n0.883030 0.635914 0.754673 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"H",
"O"
],
"chemical_system": "H-O",
"density": 1.3989816652511387,
"density_atomic": 0.14029531339584528,
"volume": 256.60158652930534,
"volume_molar": 4.292474648107768,
"formula_full": "H24 O12",
"formula_reduced": "H2O",
"formula_anonymous": "AB2",
"energy_above_hull": 1.904667833333333,
"spacegroup": 19
},
{
"id": "jvasp-91311",
"created_at": "2022-09-04T14:36:17.163545Z",
"updated_at": "2022-09-04T14:36:17.163573Z",
"structure_string": "Tb8 Co2 B26\n1.0\n7.331439 0.000000 -0.000000\n0.000000 7.331439 0.000000\n-0.000000 -0.000000 6.982822\nTb Co B\n8 2 26\ndirect\n0.818843 0.316247 0.500000 Tb\n0.816247 0.318843 0.000000 Tb\n0.316247 0.181157 0.500000 Tb\n0.683753 0.818843 0.500000 Tb\n0.181157 0.683753 0.500000 Tb\n0.318843 0.183753 0.000000 Tb\n0.183753 0.681157 0.000000 Tb\n0.681157 0.816247 0.000000 Tb\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.091468 0.408532 0.750000 B\n0.960596 0.830508 0.254508 B\n0.460596 0.669492 0.245492 B\n0.539404 0.330508 0.245492 B\n0.169492 0.960596 0.254508 B\n0.830508 0.039404 0.254508 B\n0.039404 0.169492 0.254508 B\n0.408532 0.908532 0.750000 B\n0.669492 0.539404 0.754508 B\n0.591468 0.091468 0.250000 B\n0.330508 0.460596 0.754508 B\n0.039404 0.169492 0.745491 B\n0.539404 0.330508 0.754508 B\n0.460596 0.669492 0.754508 B\n0.830508 0.039404 0.745491 B\n0.169492 0.960596 0.745491 B\n0.591468 0.091468 0.750000 B\n0.960596 0.830508 0.745491 B\n0.669492 0.539404 0.245492 B\n0.000000 0.000000 0.500000 B\n0.500000 0.500000 0.000000 B\n0.408532 0.908532 0.250000 B\n0.091468 0.408532 0.250000 B\n0.908532 0.591468 0.250000 B\n0.330508 0.460596 0.245492 B\n0.908532 0.591468 0.750000 B\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Tb",
"Co",
"B"
],
"chemical_system": "B-Co-Tb",
"density": 7.390069212752034,
"density_atomic": 0.09591644597851863,
"volume": 375.32666721265434,
"volume_molar": 6.278527835934114,
"formula_full": "Tb8 Co2 B26",
"formula_reduced": "Tb4CoB13",
"formula_anonymous": "AB4C13",
"energy_above_hull": 4.667020449074075,
"spacegroup": 128
},
{
"id": "jvasp-97376",
"created_at": "2022-09-04T14:36:07.697849Z",
"updated_at": "2022-09-04T14:36:07.697867Z",
"structure_string": "S4 I4 Cl28\n1.0\n8.134573 -0.073508 0.000000\n-3.348148 9.836709 0.000000\n0.000000 0.000000 12.449695\nS I Cl\n4 4 28\ndirect\n0.243114 0.138918 0.084070 S\n0.743114 0.138918 0.415930 S\n0.756885 0.861082 0.915930 S\n0.256885 0.861082 0.584070 S\n0.845389 0.271948 0.903078 I\n0.654610 0.728052 0.403078 I\n0.345390 0.271948 0.596923 I\n0.154610 0.728052 0.096923 I\n0.471079 0.098741 0.107163 Cl\n0.575119 0.894612 0.275261 Cl\n0.075119 0.894612 0.224739 Cl\n0.735835 0.577432 0.535118 Cl\n0.764164 0.422568 0.035118 Cl\n0.264164 0.422568 0.464883 Cl\n0.235835 0.577432 0.964883 Cl\n0.661720 0.573672 0.251233 Cl\n0.838279 0.426327 0.751234 Cl\n0.338279 0.426327 0.748767 Cl\n0.161720 0.573673 0.248767 Cl\n0.636685 0.892968 0.561313 Cl\n0.863314 0.107032 0.061312 Cl\n0.363314 0.107032 0.438688 Cl\n0.136686 0.892968 0.938688 Cl\n0.802053 0.256726 0.551449 Cl\n0.697946 0.743274 0.051449 Cl\n0.424881 0.105388 0.724739 Cl\n0.302053 0.256726 0.948552 Cl\n0.767777 0.284517 0.300972 Cl\n0.732222 0.715483 0.800972 Cl\n0.232222 0.715483 0.699029 Cl\n0.267777 0.284517 0.199028 Cl\n0.971079 0.098741 0.392837 Cl\n0.528920 0.901259 0.892838 Cl\n0.028920 0.901259 0.607163 Cl\n0.924880 0.105388 0.775261 Cl\n0.197946 0.743274 0.448551 Cl\n",
"nsites": 36,
"nelements": 3,
"elements": [
"S",
"I",
"Cl"
],
"chemical_system": "Cl-I-S",
"density": 2.723001726738146,
"density_atomic": 0.03624908554147507,
"volume": 993.128501374467,
"volume_molar": 16.613221189013593,
"formula_full": "S4 I4 Cl28",
"formula_reduced": "SICl7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.2751038608333335,
"spacegroup": 14
},
{
"id": "jvasp-88055",
"created_at": "2022-09-04T14:36:09.968243Z",
"updated_at": "2022-09-04T14:36:09.968253Z",
"structure_string": "Ca4 Ta8 O24\n1.0\n7.829740 -0.000000 -0.000000\n0.000000 7.829740 0.000000\n0.000000 0.000000 7.829740\nCa Ta O\n4 8 24\ndirect\n0.500000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.249228 0.750772 0.249228 Ta\n0.750772 0.249228 0.249228 Ta\n0.249228 0.249228 0.750772 Ta\n0.249228 0.750772 0.750772 Ta\n0.750772 0.750772 0.750772 Ta\n0.249228 0.249228 0.249228 Ta\n0.750772 0.249228 0.750772 Ta\n0.750772 0.750772 0.249228 Ta\n0.208965 0.000000 0.283853 O\n0.000000 0.716147 0.208965 O\n0.279505 0.500000 0.776424 O\n0.776424 0.720495 0.500000 O\n0.000000 0.283853 0.208965 O\n0.500000 0.776424 0.279505 O\n0.000000 0.716147 0.791035 O\n0.720495 0.500000 0.223576 O\n0.500000 0.223576 0.279505 O\n0.223576 0.720495 0.500000 O\n0.791035 0.000000 0.716147 O\n0.791035 0.000000 0.283853 O\n0.283853 0.208965 0.000000 O\n0.279505 0.500000 0.223576 O\n0.500000 0.776424 0.720495 O\n0.500000 0.223576 0.720495 O\n0.208965 0.000000 0.716147 O\n0.223576 0.279505 0.500000 O\n0.716147 0.791035 0.000000 O\n0.000000 0.283853 0.791035 O\n0.776424 0.279505 0.500000 O\n0.283853 0.791035 0.000000 O\n0.716147 0.208965 0.000000 O\n0.720495 0.500000 0.776424 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ca",
"Ta",
"O"
],
"chemical_system": "Ca-O-Ta",
"density": 6.890811749874173,
"density_atomic": 0.07499986443057217,
"volume": 480.00086764590645,
"volume_molar": 8.029535527460496,
"formula_full": "Ca4 Ta8 O24",
"formula_reduced": "CaTa2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.258211091111111,
"spacegroup": 200
},
{
"id": "jvasp-98199",
"created_at": "2022-09-04T14:36:20.105325Z",
"updated_at": "2022-09-04T14:36:20.105360Z",
"structure_string": "Sr12 Ga8 N16\n1.0\n5.977340 -0.000000 0.000000\n0.000000 9.528925 0.000000\n0.000000 0.000000 10.318592\nSr Ga N\n12 8 16\ndirect\n0.890417 0.087153 0.654749 Sr\n0.250000 0.596635 0.500000 Sr\n0.250000 0.903364 0.000000 Sr\n0.750000 0.096635 0.000000 Sr\n0.390417 0.587153 0.845251 Sr\n0.750000 0.403365 0.500000 Sr\n0.109583 0.587153 0.154749 Sr\n0.109583 0.912846 0.345251 Sr\n0.609583 0.412847 0.154749 Sr\n0.609583 0.087153 0.345251 Sr\n0.390417 0.912846 0.654749 Sr\n0.890417 0.412847 0.845251 Sr\n0.158575 0.250000 0.250000 Ga\n0.250000 0.270615 0.500000 Ga\n0.750000 0.770615 0.000000 Ga\n0.750000 0.729384 0.500000 Ga\n0.250000 0.229384 0.000000 Ga\n0.341425 0.250000 0.750000 Ga\n0.658575 0.750000 0.250000 Ga\n0.841425 0.750000 0.750000 Ga\n0.875001 0.622639 0.352639 N\n0.495121 0.331948 0.905481 N\n0.004879 0.168052 0.405482 N\n0.004879 0.331948 0.094518 N\n0.504879 0.831948 0.405482 N\n0.504879 0.668051 0.094518 N\n0.995121 0.831948 0.594518 N\n0.995121 0.668051 0.905481 N\n0.124999 0.122639 0.852639 N\n0.375001 0.377361 0.352639 N\n0.375001 0.122639 0.147361 N\n0.875001 0.877360 0.147361 N\n0.624999 0.622639 0.647361 N\n0.624999 0.877360 0.852639 N\n0.124999 0.377361 0.647361 N\n0.495121 0.168052 0.594518 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"N"
],
"chemical_system": "Ga-N-Sr",
"density": 5.179856370958122,
"density_atomic": 0.06125339878347186,
"volume": 587.7224891186603,
"volume_molar": 9.831520992472614,
"formula_full": "Sr12 Ga8 N16",
"formula_reduced": "Sr3(GaN2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.2835862866666665,
"spacegroup": 52
},
{
"id": "jvasp-96942",
"created_at": "2022-09-04T14:36:17.738547Z",
"updated_at": "2022-09-04T14:36:17.738568Z",
"structure_string": "Si12 O24\n1.0\n8.302035 -0.000000 -2.935213\n-4.151018 7.189773 -2.935213\n-0.000000 -0.000000 8.805639\nSi O\n12 24\ndirect\n0.885292 0.537627 0.616276 Si\n0.652336 0.614708 0.230984 Si\n0.230983 0.652335 0.614708 Si\n0.614708 0.230984 0.652336 Si\n0.962372 0.847664 0.078649 Si\n0.269016 0.883724 0.421352 Si\n0.421352 0.269016 0.883725 Si\n0.078648 0.962372 0.847665 Si\n0.616276 0.885292 0.537628 Si\n0.847665 0.078648 0.962373 Si\n0.537628 0.616276 0.885293 Si\n0.883724 0.421352 0.269017 Si\n0.117281 0.905714 0.012116 O\n0.487884 0.393598 0.105166 O\n0.594286 0.711567 0.106402 O\n0.581681 0.250000 0.831681 O\n0.106401 0.594285 0.711567 O\n0.711567 0.106402 0.594286 O\n0.668319 0.918319 0.750000 O\n0.105165 0.487884 0.393599 O\n0.012116 0.117281 0.905715 O\n0.394835 0.788433 0.382719 O\n0.918319 0.750000 0.668320 O\n0.788433 0.382718 0.394835 O\n0.250000 0.831681 0.581681 O\n0.393599 0.105165 0.487884 O\n0.073013 0.823013 0.250000 O\n0.750000 0.426987 0.676988 O\n0.382719 0.394835 0.788433 O\n0.823013 0.250000 0.073013 O\n0.831681 0.581681 0.250000 O\n0.905715 0.012116 0.117282 O\n0.250000 0.073013 0.823013 O\n0.426987 0.676987 0.750000 O\n0.750000 0.668319 0.918320 O\n0.676987 0.750000 0.426988 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.2778794347241322,
"density_atomic": 0.06849232126341742,
"volume": 525.6063648587135,
"volume_molar": 8.792431982030807,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4719252000000005,
"spacegroup": 199
},
{
"id": "jvasp-89402",
"created_at": "2022-09-04T14:36:17.378446Z",
"updated_at": "2022-09-04T14:36:17.378458Z",
"structure_string": "Na10 P6 O20\n1.0\n5.353757 0.000000 0.000000\n-2.676878 4.812385 -0.591259\n0.000000 -0.029111 18.579581\nNa P O\n10 6 20\ndirect\n0.346837 0.652353 0.067013 Na\n0.889667 0.928296 0.824542 Na\n0.461372 0.071706 0.675458 Na\n0.194485 0.347648 0.432987 Na\n0.653164 0.347648 0.932987 Na\n0.538629 0.928295 0.324542 Na\n0.000000 0.000000 0.000000 Na\n0.110334 0.071706 0.175458 Na\n0.805516 0.652353 0.567013 Na\n0.500000 0.000000 0.500000 Na\n0.144688 0.336153 0.598714 P\n0.691465 0.336153 0.098714 P\n0.101108 0.500001 0.750000 P\n0.898893 0.500001 0.250000 P\n0.308535 0.663848 0.901285 P\n0.855313 0.663848 0.401286 P\n0.830845 0.248810 0.766643 O\n0.738697 0.584168 0.313811 O\n0.756948 0.594482 0.062883 O\n0.662466 0.405519 0.437117 O\n0.917966 0.248810 0.266644 O\n0.935224 0.267871 0.097115 O\n0.167352 0.732130 0.402885 O\n0.337535 0.594482 0.562883 O\n0.601859 0.909812 0.924894 O\n0.261304 0.415833 0.686189 O\n0.398142 0.090189 0.075106 O\n0.807955 0.909812 0.424894 O\n0.082035 0.751191 0.733356 O\n0.192046 0.090189 0.575106 O\n0.243053 0.405519 0.937117 O\n0.169155 0.751191 0.233356 O\n0.654530 0.415833 0.186189 O\n0.832649 0.267871 0.597115 O\n0.064777 0.732130 0.902884 O\n0.345471 0.584168 0.813811 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Na",
"P",
"O"
],
"chemical_system": "Na-O-P",
"density": 2.552673172545533,
"density_atomic": 0.07521962719185532,
"volume": 478.59849010123827,
"volume_molar": 8.006076319203121,
"formula_full": "Na10 P6 O20",
"formula_reduced": "Na5P3O10",
"formula_anonymous": "A3B5C10",
"energy_above_hull": 1.929690916666667,
"spacegroup": 15
},
{
"id": "jvasp-96528",
"created_at": "2022-09-04T14:36:20.071089Z",
"updated_at": "2022-09-04T14:36:20.071127Z",
"structure_string": "Mg8 B8 O20\n1.0\n3.122685 0.000000 0.000000\n0.000000 8.941855 -2.376924\n0.000000 0.011838 12.457528\nMg B O\n8 8 20\ndirect\n0.231391 0.147988 0.645130 Mg\n0.768607 0.852012 0.354870 Mg\n0.268608 0.147988 0.145130 Mg\n0.755250 0.397418 0.562664 Mg\n0.244748 0.602582 0.437336 Mg\n0.744748 0.397417 0.062664 Mg\n0.731391 0.852012 0.854870 Mg\n0.255251 0.602582 0.937336 Mg\n0.689183 0.857300 0.591347 B\n0.336513 0.667609 0.690294 B\n0.663485 0.332391 0.309707 B\n0.836512 0.332391 0.809707 B\n0.810815 0.857300 0.091347 B\n0.310816 0.142699 0.408653 B\n0.189184 0.142699 0.908654 B\n0.163486 0.667609 0.190294 B\n0.571879 0.796979 0.681460 O\n0.231455 0.677260 0.797844 O\n0.752577 0.445282 0.902136 O\n0.753238 0.759268 0.988983 O\n0.247422 0.554718 0.097864 O\n0.928119 0.796979 0.181460 O\n0.747421 0.445282 0.402136 O\n0.246761 0.240732 0.011017 O\n0.768218 0.006822 0.113020 O\n0.428120 0.203020 0.318541 O\n0.253238 0.240732 0.511017 O\n0.231781 0.993178 0.886981 O\n0.252577 0.554718 0.597864 O\n0.731780 0.006822 0.613020 O\n0.071879 0.203020 0.818541 O\n0.768543 0.322740 0.202156 O\n0.268219 0.993178 0.386981 O\n0.731454 0.322740 0.702156 O\n0.268544 0.677260 0.297844 O\n0.746760 0.759267 0.488983 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Mg",
"B",
"O"
],
"chemical_system": "B-Mg-O",
"density": 2.8679099044544967,
"density_atomic": 0.10346778201167846,
"volume": 347.9343936834044,
"volume_molar": 5.820305261129767,
"formula_full": "Mg8 B8 O20",
"formula_reduced": "Mg2B2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.2204234185185188,
"spacegroup": 14
}
]
}