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=37",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=35",
"results": [
{
"id": "jvasp-97633",
"created_at": "2022-09-04T14:35:56.581163Z",
"updated_at": "2022-09-04T14:35:56.581187Z",
"structure_string": "Nd8 Ge6 S24\n1.0\n10.453003 -0.005702 -4.830749\n-7.552491 7.226699 -4.830749\n-0.002290 -0.005702 11.515269\nNd Ge S\n8 6 24\ndirect\n0.475841 0.937585 0.713763 Nd\n0.975840 0.213763 0.437585 Nd\n0.998557 0.998558 0.998557 Nd\n0.213763 0.437585 0.975841 Nd\n0.713763 0.475841 0.937585 Nd\n0.937585 0.713763 0.475841 Nd\n0.437585 0.975841 0.213763 Nd\n0.498557 0.498557 0.498557 Nd\n0.143775 0.969084 0.355542 Ge\n0.855542 0.469085 0.643775 Ge\n0.969084 0.355542 0.143775 Ge\n0.643775 0.855542 0.469084 Ge\n0.469084 0.643775 0.855542 Ge\n0.355542 0.143775 0.969085 Ge\n0.685856 0.872548 0.688857 S\n0.814722 0.282311 0.884351 S\n0.782310 0.314722 0.384350 S\n0.384350 0.782310 0.314722 S\n0.314722 0.384351 0.782310 S\n0.585209 0.609676 0.295640 S\n0.688857 0.685856 0.872548 S\n0.795639 0.109676 0.085209 S\n0.185855 0.188857 0.372548 S\n0.295640 0.585209 0.609676 S\n0.633796 0.351197 0.086645 S\n0.586645 0.851197 0.133796 S\n0.085209 0.795640 0.109676 S\n0.282311 0.884351 0.814722 S\n0.351197 0.086645 0.633796 S\n0.133796 0.586645 0.851197 S\n0.109676 0.085209 0.795640 S\n0.188856 0.372548 0.185855 S\n0.884350 0.814722 0.282310 S\n0.872548 0.688857 0.685856 S\n0.086645 0.633796 0.351197 S\n0.609676 0.295640 0.585209 S\n0.851197 0.133797 0.586645 S\n0.372548 0.185856 0.188856 S\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Nd",
"Ge",
"S"
],
"chemical_system": "Ge-Nd-S",
"density": 4.509404928992598,
"density_atomic": 0.043738505535176116,
"volume": 868.799688856287,
"volume_molar": 13.768510575096746,
"formula_full": "Nd8 Ge6 S24",
"formula_reduced": "Nd4(GeS4)3",
"formula_anonymous": "A3B4C12",
"energy_above_hull": 2.029797044736842,
"spacegroup": 161
},
{
"id": "jvasp-63490",
"created_at": "2022-09-04T14:35:44.783673Z",
"updated_at": "2022-09-04T14:35:44.783718Z",
"structure_string": "As16 Se16\n1.0\n0.000000 6.770979 -0.023812\n13.909657 0.000000 0.000000\n0.000000 -4.099925 -9.206324\nAs Se\n16 16\ndirect\n0.353663 0.978269 0.112442 As\n0.661654 0.839979 0.964820 As\n0.661654 0.660022 0.464820 As\n0.338346 0.160022 0.035180 As\n0.149302 0.367307 0.826475 As\n0.850698 0.867307 0.673524 As\n0.850698 0.632693 0.173524 As\n0.149302 0.132693 0.326475 As\n0.338346 0.339979 0.535179 As\n0.429323 0.862013 0.568466 As\n0.429322 0.637987 0.068466 As\n0.570678 0.137987 0.431533 As\n0.353663 0.521732 0.612442 As\n0.646338 0.021732 0.887557 As\n0.646337 0.478269 0.387557 As\n0.570678 0.362013 0.931533 As\n0.945287 0.720903 0.399095 Se\n0.054713 0.220903 0.100905 Se\n0.624894 0.269524 0.744299 Se\n0.375107 0.769524 0.755700 Se\n0.375107 0.730476 0.255701 Se\n0.624894 0.230476 0.244299 Se\n0.081300 0.525141 0.712054 Se\n0.081300 0.974860 0.212054 Se\n0.918700 0.474859 0.287946 Se\n0.656146 0.514731 0.849665 Se\n0.343855 0.014731 0.650334 Se\n0.343855 0.485269 0.150334 Se\n0.656146 0.985269 0.349665 Se\n0.945287 0.779098 0.899095 Se\n0.918701 0.025141 0.787946 Se\n0.054713 0.279098 0.600905 Se\n",
"nsites": 32,
"nelements": 2,
"elements": [
"As",
"Se"
],
"chemical_system": "As-Se",
"density": 4.707843217589177,
"density_atomic": 0.036848193081084335,
"volume": 868.4279288697848,
"volume_molar": 16.343110086153473,
"formula_full": "As16 Se16",
"formula_reduced": "AsSe",
"formula_anonymous": "AB",
"energy_above_hull": 1.1981425583333332,
"spacegroup": 14
},
{
"id": "jvasp-97677",
"created_at": "2022-09-04T14:35:41.785390Z",
"updated_at": "2022-09-04T14:35:41.785420Z",
"structure_string": "Rb8 Ge4 B16 O36\n1.0\n6.603533 0.000000 -0.041575\n0.000000 9.955903 0.000000\n0.004471 0.000000 13.206224\nRb Ge B O\n8 4 16 36\ndirect\n0.777785 0.376118 0.118705 Rb\n0.222214 0.876118 0.881294 Rb\n0.253198 0.655067 0.116903 Rb\n0.746801 0.155067 0.883097 Rb\n0.771156 0.154723 0.366097 Rb\n0.228844 0.654723 0.633903 Rb\n0.706816 0.430867 0.626349 Rb\n0.293183 0.930867 0.373651 Rb\n0.243916 0.158387 0.616054 Ge\n0.756084 0.658387 0.383945 Ge\n0.741412 0.647504 0.870574 Ge\n0.258587 0.147504 0.129425 Ge\n0.130123 0.349814 0.754660 B\n0.869877 0.849814 0.245339 B\n0.046340 0.462489 0.426179 B\n0.953660 0.962489 0.573821 B\n0.340290 0.342328 0.983410 B\n0.503880 0.960530 0.678078 B\n0.496119 0.460530 0.321921 B\n0.659709 0.842328 0.016589 B\n0.192482 0.322432 0.291747 B\n0.068152 0.481208 0.908715 B\n0.931847 0.981208 0.091284 B\n0.652908 0.821528 0.544652 B\n0.347092 0.321528 0.455347 B\n0.399974 0.485458 0.836751 B\n0.600025 0.985458 0.163248 B\n0.807517 0.822432 0.708252 B\n0.732022 0.740292 0.625809 O\n0.521148 0.407344 0.417449 O\n0.478852 0.907343 0.582550 O\n0.024769 0.414197 0.329623 O\n0.975230 0.914197 0.670376 O\n0.189224 0.417780 0.493931 O\n0.810775 0.917779 0.506068 O\n0.988688 0.395218 0.821881 O\n0.325458 0.394696 0.750802 O\n0.011311 0.895218 0.178118 O\n0.358034 0.414634 0.252576 O\n0.641965 0.914634 0.747424 O\n0.520115 0.894811 0.082043 O\n0.479884 0.394811 0.917957 O\n0.267977 0.240292 0.374191 O\n0.674541 0.894696 0.249198 O\n0.232499 0.565602 0.874127 O\n0.584373 0.741744 0.954615 O\n0.562194 0.565099 0.793476 O\n0.938091 0.752896 0.314273 O\n0.061909 0.252896 0.685726 O\n0.415627 0.241744 0.045384 O\n0.856854 0.885114 0.010554 O\n0.575270 0.740047 0.459422 O\n0.424729 0.240047 0.540577 O\n0.918347 0.562009 0.463958 O\n0.081653 0.062009 0.536041 O\n0.098931 0.056362 0.046375 O\n0.901069 0.556361 0.953624 O\n0.618650 0.566827 0.289618 O\n0.381349 0.066827 0.710381 O\n0.104278 0.243933 0.210066 O\n0.895722 0.743933 0.789933 O\n0.437806 0.065099 0.206523 O\n0.767501 0.065602 0.125872 O\n0.143145 0.385114 0.989445 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Rb",
"Ge",
"B",
"O"
],
"chemical_system": "B-Ge-O-Rb",
"density": 3.2958125578086563,
"density_atomic": 0.07371288002506271,
"volume": 868.2336109814148,
"volume_molar": 8.169726590458065,
"formula_full": "Rb8 Ge4 B16 O36",
"formula_reduced": "Rb2GeB4O9",
"formula_anonymous": "AB2C4D9",
"energy_above_hull": 2.8547042364583333,
"spacegroup": 4
},
{
"id": "jvasp-59047",
"created_at": "2022-09-04T14:38:36.299997Z",
"updated_at": "2022-09-04T14:38:36.300014Z",
"structure_string": "K8 Sn4 Te12\n1.0\n8.091680 0.000000 -3.015519\n-0.000000 8.679865 0.000000\n-0.002391 0.000000 12.357730\nK Sn Te\n8 4 12\ndirect\n0.077757 0.000000 0.155515 K\n0.422243 0.500000 0.844485 K\n0.922243 0.000000 0.844485 K\n0.577757 0.500000 0.155515 K\n0.234601 0.000000 0.469201 K\n0.734601 0.500000 0.469201 K\n0.265400 0.500000 0.530799 K\n0.765400 0.000000 0.530799 K\n0.585332 0.000000 0.170666 Sn\n0.914668 0.500000 0.829334 Sn\n0.414668 0.000000 0.829334 Sn\n0.085332 0.500000 0.170666 Sn\n0.671527 0.828220 -0.000000 Te\n0.341765 0.309915 0.302903 Te\n0.538863 0.190085 0.697097 Te\n0.158235 0.809915 0.697097 Te\n0.961137 0.690085 0.302903 Te\n0.658235 0.690085 0.697097 Te\n0.461137 0.809915 0.302903 Te\n0.841765 0.190085 0.302903 Te\n0.038863 0.309915 0.697097 Te\n0.828473 0.328220 -0.000000 Te\n0.328473 0.171781 -0.000000 Te\n0.171527 0.671781 -0.000000 Te\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Sn",
"Te"
],
"chemical_system": "K-Sn-Te",
"density": 4.436681750407352,
"density_atomic": 0.02765363239008445,
"volume": 867.8787531943,
"volume_molar": 21.777033393122395,
"formula_full": "K8 Sn4 Te12",
"formula_reduced": "K2SnTe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1159835000000001,
"spacegroup": 64
},
{
"id": "jvasp-119635",
"created_at": "2022-09-04T14:38:51.726765Z",
"updated_at": "2022-09-04T14:38:51.726785Z",
"structure_string": "Pr12 As4 Br12\n1.0\n9.804748 -0.000000 -3.466502\n-4.902374 8.491161 -3.466502\n-0.000000 -0.000000 10.399506\nPr As Br\n12 4 12\ndirect\n0.480957 0.490479 0.240479 Pr\n0.750000 0.240479 0.259521 Pr\n0.750000 0.009521 0.490479 Pr\n0.240479 0.480957 0.490479 Pr\n0.259521 0.750000 0.240479 Pr\n0.019043 0.259521 0.009521 Pr\n0.009521 0.019043 0.259521 Pr\n0.490479 0.750000 0.009521 Pr\n0.490479 0.240479 0.480957 Pr\n0.009521 0.490479 0.750000 Pr\n0.259521 0.009521 0.019043 Pr\n0.240479 0.259521 0.750000 Pr\n0.250000 0.500000 0.000000 As\n0.000000 0.250000 0.500000 As\n0.500000 0.000000 0.250000 As\n0.250000 0.250000 0.250000 As\n0.250000 0.758132 0.741869 Br\n0.516263 0.508132 0.758132 Br\n0.983738 0.741868 0.991869 Br\n0.741868 0.250000 0.758132 Br\n0.991869 0.983737 0.741869 Br\n0.250000 0.991868 0.508132 Br\n0.758132 0.516263 0.508132 Br\n0.508132 0.250000 0.991869 Br\n0.758132 0.741868 0.250000 Br\n0.741869 0.991868 0.983738 Br\n0.991869 0.508132 0.250000 Br\n0.508132 0.758132 0.516263 Br\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Pr",
"As",
"Br"
],
"chemical_system": "As-Br-Pr",
"density": 5.656794603105007,
"density_atomic": 0.03234013362118425,
"volume": 865.797288532498,
"volume_molar": 18.621261218460848,
"formula_full": "Pr12 As4 Br12",
"formula_reduced": "Pr3AsBr3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.9233776592857144,
"spacegroup": 214
},
{
"id": "jvasp-77299",
"created_at": "2022-09-04T14:37:56.424369Z",
"updated_at": "2022-09-04T14:37:56.424395Z",
"structure_string": "Cd1 Cu1 Pd2\n1.0\n-8.663674 -0.000000 -5.001974\n-9.119108 -0.002335 5.790811\n-5.926493 9.027743 0.261039\nCd Cu Pd\n1 1 2\ndirect\n0.500000 0.000000 0.000000 Cd\n0.000000 0.000000 0.000000 Cu\n0.763881 0.000000 0.000000 Pd\n0.236119 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Cu",
"Pd"
],
"chemical_system": "Cd-Cu-Pd",
"density": 0.746561994187918,
"density_atomic": 0.0046254486702517065,
"volume": 864.7809726493688,
"volume_molar": 130.19581859660522,
"formula_full": "Cd1 Cu1 Pd2",
"formula_reduced": "CdCuPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7405379000000001,
"spacegroup": 71
},
{
"id": "jvasp-5833",
"created_at": "2022-09-04T14:36:02.002449Z",
"updated_at": "2022-09-04T14:36:02.002472Z",
"structure_string": "As16 S18\n1.0\n0.000000 9.177984 0.095146\n9.707466 0.000000 0.000000\n0.000000 -2.076701 -9.716529\nAs S\n16 18\ndirect\n0.177542 0.024178 0.372378 As\n0.448320 0.774751 0.021406 As\n0.051680 0.774751 0.978594 As\n0.551679 0.225249 0.978593 As\n0.948320 0.225249 0.021406 As\n0.141472 0.579549 0.828983 As\n0.641472 0.420451 0.828982 As\n0.858528 0.420451 0.171017 As\n0.358528 0.579549 0.171017 As\n0.561413 0.676827 0.562839 As\n0.061413 0.323173 0.562840 As\n0.438587 0.323173 0.437160 As\n0.677541 0.975823 0.372378 As\n0.822458 0.975823 0.627621 As\n0.322458 0.024178 0.627622 As\n0.938586 0.676827 0.437160 As\n0.822445 0.832253 0.275961 S\n0.250000 0.431378 -0.000000 S\n0.750000 0.568622 -0.000000 S\n0.136600 0.675032 0.187956 S\n0.363400 0.675032 0.812044 S\n0.863400 0.324969 0.812044 S\n0.636599 0.324969 0.187956 S\n0.677555 0.832253 0.724038 S\n0.981765 0.166307 0.389234 S\n0.322445 0.167748 0.275961 S\n0.750000 0.554312 0.500000 S\n0.250000 0.445689 0.500000 S\n0.481765 0.833693 0.389235 S\n0.018235 0.833693 0.610765 S\n0.518235 0.166307 0.610765 S\n0.250000 0.920920 -0.000000 S\n0.177555 0.167748 0.724038 S\n0.750000 0.079081 -0.000000 S\n",
"nsites": 34,
"nelements": 2,
"elements": [
"As",
"S"
],
"chemical_system": "As-S",
"density": 3.4140542440134722,
"density_atomic": 0.03936206865417512,
"volume": 863.7757405159557,
"volume_molar": 15.299350277824471,
"formula_full": "As16 S18",
"formula_reduced": "As8S9",
"formula_anonymous": "A8B9",
"energy_above_hull": 2.6139672941176477,
"spacegroup": 13
},
{
"id": "jvasp-81908",
"created_at": "2022-09-04T14:37:15.283624Z",
"updated_at": "2022-09-04T14:37:15.283655Z",
"structure_string": "Cd1 Cu1 Pd2\n1.0\n-8.648752 -0.000000 -4.993359\n-9.112500 -0.002439 5.796594\n-5.919267 9.029384 0.265754\nCd Cu Pd\n1 1 2\ndirect\n0.500000 -0.000000 -0.000000 Cd\n0.000000 0.000000 0.000000 Cu\n0.763842 -0.000000 -0.000000 Pd\n0.236158 -0.000000 -0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Cu",
"Pd"
],
"chemical_system": "Cd-Cu-Pd",
"density": 0.7475782140385036,
"density_atomic": 0.00463174482890051,
"volume": 863.6054333220956,
"volume_molar": 130.01883701416136,
"formula_full": "Cd1 Cu1 Pd2",
"formula_reduced": "CdCuPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7406204000000001,
"spacegroup": 71
},
{
"id": "jvasp-21007",
"created_at": "2022-09-04T14:38:17.662505Z",
"updated_at": "2022-09-04T14:38:17.662530Z",
"structure_string": "Li56 V8 N32\n1.0\n9.520072 -0.000000 -0.000000\n0.000000 9.520072 -0.000000\n0.000000 -0.000000 9.520072\nLi V N\n56 8 32\ndirect\n0.864928 0.379957 0.395663 Li\n0.383830 0.369507 0.630548 Li\n0.369507 0.630548 0.383830 Li\n0.883830 0.130493 0.369452 Li\n0.616169 0.869507 0.869452 Li\n0.869507 0.869452 0.616169 Li\n0.869452 0.616169 0.869507 Li\n0.369452 0.616169 0.630493 Li\n0.869452 0.883830 0.369507 Li\n0.630548 0.116170 0.869507 Li\n0.883830 0.369507 0.869452 Li\n0.132703 0.132703 0.132703 Li\n0.367297 0.867297 0.632703 Li\n0.632703 0.367297 0.867297 Li\n0.867297 0.632703 0.367297 Li\n0.867297 0.867297 0.867297 Li\n0.632703 0.132703 0.367297 Li\n0.367297 0.632703 0.132703 Li\n0.130548 0.383830 0.130493 Li\n0.130493 0.130548 0.383830 Li\n0.383830 0.130493 0.130548 Li\n0.116170 0.869507 0.630548 Li\n0.630493 0.369452 0.616169 Li\n0.616169 0.630493 0.369452 Li\n0.369507 0.869452 0.883830 Li\n0.630548 0.383830 0.369507 Li\n0.630493 0.130548 0.116170 Li\n0.130493 0.369452 0.883830 Li\n0.132703 0.367297 0.632703 Li\n0.369452 0.883830 0.130493 Li\n0.116170 0.630493 0.130548 Li\n0.364928 0.120042 0.604337 Li\n0.135072 0.879957 0.104337 Li\n0.120042 0.604337 0.364928 Li\n0.104337 0.135072 0.879957 Li\n0.604337 0.364928 0.120042 Li\n0.379957 0.395663 0.864928 Li\n0.395663 0.864928 0.379957 Li\n0.879957 0.104337 0.135072 Li\n0.620042 0.895663 0.635072 Li\n0.895663 0.635072 0.620042 Li\n0.635072 0.620042 0.895663 Li\n0.135072 0.620042 0.604337 Li\n0.864928 0.120042 0.895663 Li\n0.879957 0.395663 0.635072 Li\n0.895663 0.864928 0.120042 Li\n0.395663 0.635072 0.879957 Li\n0.620042 0.604337 0.135072 Li\n0.604337 0.135072 0.620042 Li\n0.120042 0.895663 0.864928 Li\n0.379957 0.104337 0.364928 Li\n0.104337 0.364928 0.379957 Li\n0.869507 0.630548 0.116170 Li\n0.364928 0.379957 0.104337 Li\n0.130548 0.116170 0.630493 Li\n0.635072 0.879957 0.395663 Li\n0.870559 0.129440 0.629440 V\n0.370560 0.370560 0.370560 V\n0.629440 0.870559 0.129440 V\n0.129440 0.629440 0.870559 V\n0.870559 0.370560 0.129440 V\n0.129440 0.870559 0.370560 V\n0.370560 0.129440 0.870559 V\n0.629440 0.629440 0.629440 V\n0.520448 0.986230 0.241051 N\n0.020448 0.513769 0.758949 N\n0.741051 0.979551 0.013769 N\n0.979551 0.013769 0.741051 N\n0.241051 0.520448 0.986230 N\n0.258949 0.479551 0.486230 N\n0.486230 0.258949 0.479551 N\n0.259827 0.240173 0.759827 N\n0.240173 0.759827 0.259827 N\n0.759827 0.259827 0.240173 N\n0.740173 0.740173 0.740173 N\n0.740173 0.759827 0.240173 N\n0.759827 0.240173 0.740173 N\n0.479551 0.486230 0.258949 N\n0.758949 0.020448 0.513769 N\n0.513769 0.758949 0.020448 N\n0.013769 0.741051 0.979551 N\n0.513769 0.741051 0.520448 N\n0.520448 0.513769 0.741051 N\n0.741051 0.520448 0.513769 N\n0.758949 0.479551 0.013769 N\n0.020448 0.986230 0.258949 N\n0.258949 0.020448 0.986230 N\n0.979551 0.486230 0.241051 N\n0.479551 0.013769 0.758949 N\n0.241051 0.979551 0.486230 N\n0.013769 0.758949 0.479551 N\n0.486230 0.241051 0.979551 N\n0.986230 0.258949 0.020448 N\n0.240173 0.740173 0.759827 N\n0.986230 0.241051 0.520448 N\n0.259827 0.259827 0.259827 N\n",
"nsites": 96,
"nelements": 3,
"elements": [
"Li",
"V",
"N"
],
"chemical_system": "Li-N-V",
"density": 2.394987209282275,
"density_atomic": 0.11126294068551855,
"volume": 862.8209843144556,
"volume_molar": 5.412530643982712,
"formula_full": "Li56 V8 N32",
"formula_reduced": "Li7VN4",
"formula_anonymous": "AB4C7",
"energy_above_hull": 2.9547381,
"spacegroup": 205
},
{
"id": "jvasp-77284",
"created_at": "2022-09-04T14:37:52.385210Z",
"updated_at": "2022-09-04T14:37:52.385218Z",
"structure_string": "Al1 Tc2 Sb1\n1.0\n-8.749214 0.000000 -5.051361\n-9.128484 -0.015101 5.708277\n-5.952113 8.969029 0.206642\nAl Tc Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.752156 -0.000000 -0.000000 Tc\n0.247844 -0.000000 -0.000000 Tc\n0.500000 -0.000000 -0.000000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Tc",
"Sb"
],
"chemical_system": "Al-Sb-Tc",
"density": 0.6641074116291538,
"density_atomic": 0.004640402001120632,
"volume": 861.994283907735,
"volume_molar": 129.7762728001946,
"formula_full": "Al1 Tc2 Sb1",
"formula_reduced": "AlTc2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.327025475,
"spacegroup": 71
},
{
"id": "jvasp-62163",
"created_at": "2022-09-04T14:36:05.475487Z",
"updated_at": "2022-09-04T14:36:05.475506Z",
"structure_string": "Rb14 Nb2 As8\n1.0\n8.550154 0.000000 0.000000\n0.000000 9.541474 0.000000\n0.000000 0.000000 10.565688\nRb Nb As\n14 2 8\ndirect\n0.131343 0.036474 0.000000 Rb\n0.296711 0.832238 0.287686 Rb\n0.796711 0.167761 0.212314 Rb\n0.296711 0.832238 0.712314 Rb\n0.121780 0.465165 0.291509 Rb\n0.621779 0.534835 0.208491 Rb\n0.621779 0.534835 0.791509 Rb\n0.796711 0.167761 0.787686 Rb\n0.840072 0.657700 0.500000 Rb\n0.340072 0.342300 0.000000 Rb\n0.101799 0.090036 0.500000 Rb\n0.601799 0.909964 0.000000 Rb\n0.631343 0.963525 0.500000 Rb\n0.121780 0.465165 0.708491 Rb\n-0.000572 0.677793 0.000000 Nb\n0.499428 0.322206 0.500000 Nb\n0.406401 0.192843 0.300304 As\n0.293116 0.685018 0.000000 As\n0.793115 0.314981 0.500000 As\n0.923357 0.421137 0.000000 As\n0.423358 0.578862 0.500000 As\n0.906400 0.807157 0.800304 As\n0.406401 0.192843 0.699696 As\n0.906400 0.807157 0.199696 As\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Nb",
"As"
],
"chemical_system": "As-Nb-Rb",
"density": 3.817749546669875,
"density_atomic": 0.02784351443409194,
"volume": 861.9601543767085,
"volume_molar": 21.628522413199452,
"formula_full": "Rb14 Nb2 As8",
"formula_reduced": "Rb7NbAs4",
"formula_anonymous": "AB4C7",
"energy_above_hull": 0.792940533333333,
"spacegroup": 31
},
{
"id": "jvasp-77078",
"created_at": "2022-09-04T14:37:13.429493Z",
"updated_at": "2022-09-04T14:37:13.429512Z",
"structure_string": "Li1 Si1 Ag2\n1.0\n-8.818770 -0.000000 -5.091519\n-9.145901 -0.004202 5.658127\n-5.986243 8.932661 0.185438\nLi Si Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000000 -0.000000 Si\n0.736360 -0.000000 -0.000000 Ag\n0.263640 -0.000000 -0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Si",
"Ag"
],
"chemical_system": "Ag-Li-Si",
"density": 0.48316685203359316,
"density_atomic": 0.004641354513794377,
"volume": 861.817382859199,
"volume_molar": 129.7496397248227,
"formula_full": "Li1 Si1 Ag2",
"formula_reduced": "LiSiAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2293407799999998,
"spacegroup": 71
}
]
}