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=id&page=4527",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=4525",
"results": [
{
"id": "jvasp-9763",
"created_at": "2022-09-04T14:38:09.343200Z",
"updated_at": "2022-09-04T14:38:09.343226Z",
"structure_string": "Na2 Nd2 Ti3 O10\n1.0\n3.807181 -0.000000 -0.509190\n-0.068101 3.806572 -0.509190\n0.011023 0.011222 14.570047\nNa Nd Ti O\n2 2 3 10\ndirect\n0.288434 0.288434 0.576869 Na\n0.711565 0.711565 0.423131 Na\n0.424946 0.424946 0.849893 Nd\n0.575053 0.575053 0.150107 Nd\n0.000000 0.000000 0.000000 Ti\n0.147108 0.147108 0.294217 Ti\n0.852891 0.852891 0.705783 Ti\n0.500000 0.000000 -0.000000 O\n0.868017 0.368017 0.736034 O\n0.000000 0.500000 -0.000000 O\n0.208636 0.208636 0.417272 O\n0.791364 0.791363 0.582728 O\n0.631982 0.131982 0.263966 O\n0.131983 0.631982 0.263966 O\n0.368017 0.868016 0.736034 O\n0.067487 0.067487 0.134976 O\n0.932512 0.932511 0.865024 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Na",
"Nd",
"Ti",
"O"
],
"chemical_system": "Na-Nd-O-Ti",
"density": 5.016740267199219,
"density_atomic": 0.08049351931077789,
"volume": 211.19712674463398,
"volume_molar": 7.4815225021396845,
"formula_full": "Na2 Nd2 Ti3 O10",
"formula_reduced": "Na2Nd2Ti3O10",
"formula_anonymous": "A2B2C3D10",
"energy_above_hull": 2.571758882352941,
"spacegroup": 139
},
{
"id": "jvasp-97631",
"created_at": "2022-09-04T14:38:14.999899Z",
"updated_at": "2022-09-04T14:38:14.999926Z",
"structure_string": "Si12 O24\n1.0\n10.046065 0.000000 -0.000000\n-5.023032 8.700147 -0.000000\n0.000000 -0.000000 10.310752\nSi O\n12 24\ndirect\n0.568049 0.136098 0.604533 Si\n0.568049 0.431951 0.895467 Si\n0.568049 0.136098 0.895467 Si\n0.431951 0.863903 0.104533 Si\n0.431951 0.863903 0.395467 Si\n0.863902 0.431951 0.895467 Si\n0.136098 0.568049 0.104533 Si\n0.431951 0.568049 0.395467 Si\n0.863902 0.431951 0.604533 Si\n0.568049 0.431951 0.604533 Si\n0.431951 0.568049 0.104533 Si\n0.136098 0.568049 0.395467 Si\n0.061975 0.530987 0.250000 O\n0.500000 -0.000000 0.500000 O\n0.754325 0.508650 0.585934 O\n0.245676 0.754325 0.414066 O\n0.469013 0.530987 0.250000 O\n0.754324 0.245675 0.914066 O\n0.491350 0.245675 0.914066 O\n0.500000 -0.000000 0.000000 O\n0.938025 0.469013 0.750000 O\n0.000000 0.500000 0.000000 O\n0.508649 0.754325 0.414066 O\n0.500000 0.500000 0.500000 O\n0.491350 0.245675 0.585934 O\n0.245676 0.754325 0.085934 O\n0.245675 0.491351 0.414066 O\n0.530987 0.061975 0.750000 O\n0.500000 0.500000 0.000000 O\n0.754324 0.245675 0.585934 O\n0.508649 0.754325 0.085934 O\n0.754325 0.508650 0.914066 O\n0.530987 0.469013 0.750000 O\n0.245675 0.491351 0.085934 O\n0.469013 0.938026 0.250000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.3285516217232178,
"density_atomic": 0.03994749814365003,
"volume": 901.1828443059203,
"volume_molar": 15.075138719187267,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4169285333333337,
"spacegroup": 194
},
{
"id": "jvasp-97632",
"created_at": "2022-09-04T14:37:52.260047Z",
"updated_at": "2022-09-04T14:37:52.260069Z",
"structure_string": "U12 O32\n1.0\n6.978941 0.000000 -0.058116\n0.000000 8.320537 0.000000\n0.096910 0.000000 11.630198\nU O\n12 32\ndirect\n0.498727 0.250000 0.180958 U\n0.503960 0.250000 0.499999 U\n0.001272 0.750000 0.319041 U\n0.496040 0.750000 0.500001 U\n0.501275 0.750000 0.180963 U\n-0.001272 0.250000 0.680959 U\n0.498725 0.250000 0.819036 U\n-0.001275 0.250000 0.319039 U\n0.501273 0.750000 0.819042 U\n0.001275 0.750000 0.680961 U\n0.003965 0.250000 -0.000001 U\n0.996035 0.750000 0.000001 U\n0.308931 0.250000 0.358179 O\n0.808928 0.250000 0.858185 O\n0.320454 0.750000 0.346944 O\n-0.000014 -0.000014 0.315300 O\n0.500010 0.499988 0.184701 O\n0.975845 0.250000 0.499988 O\n0.320458 0.750000 0.653054 O\n0.179548 0.250000 0.153054 O\n0.000000 0.000000 0.000000 O\n0.820458 0.750000 0.153059 O\n0.500010 0.000013 0.184701 O\n-0.000014 0.500014 0.315300 O\n0.500000 0.000000 0.500000 O\n0.679542 0.250000 0.346946 O\n0.475844 0.250000 -0.000010 O\n0.308938 0.250000 0.641818 O\n0.000014 0.499986 0.684700 O\n0.691062 0.750000 0.358182 O\n0.499989 -0.000013 0.815299 O\n0.191055 0.750000 0.858180 O\n0.808945 0.250000 0.141820 O\n0.191072 0.750000 0.141815 O\n0.499989 0.500013 0.815299 O\n0.179542 0.250000 0.846941 O\n0.820452 0.750000 0.846946 O\n0.024155 0.750000 0.500012 O\n0.679546 0.250000 0.653056 O\n0.500000 0.500000 0.500000 O\n0.524156 0.750000 0.000009 O\n0.000014 0.000014 0.684700 O\n0.691069 0.750000 0.641820 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 44,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 8.281429543757223,
"density_atomic": 0.06514701944279885,
"volume": 675.3954421296801,
"volume_molar": 9.243923684471289,
"formula_full": "U12 O32",
"formula_reduced": "U3O8",
"formula_anonymous": "A3B8",
"energy_above_hull": 3.7801014545454543,
"spacegroup": 63
},
{
"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-97634",
"created_at": "2022-09-04T14:35:58.668005Z",
"updated_at": "2022-09-04T14:35:58.668054Z",
"structure_string": "Ta2 P8 S10 Cl10\n1.0\n6.274399 -0.057617 -1.518116\n-3.319035 9.414212 -1.309117\n0.002158 0.055605 12.720143\nTa P S Cl\n2 8 10 10\ndirect\n0.384738 0.262125 0.149340 Ta\n0.615262 0.737874 0.850659 Ta\n0.073287 0.420856 0.690871 P\n0.956529 0.896834 0.254914 P\n0.926712 0.579143 0.309128 P\n0.751415 0.683212 0.411532 P\n0.043470 0.103165 0.745085 P\n0.120366 0.816259 0.512522 P\n0.248584 0.316787 0.588467 P\n0.879633 0.183740 0.487477 P\n0.659115 0.816430 0.311516 S\n0.989385 0.697819 0.187523 S\n0.214211 0.636073 0.447255 S\n0.830310 0.369608 0.246156 S\n0.010615 0.302180 0.812476 S\n0.785788 0.363926 0.552744 S\n0.207231 0.971533 0.413960 S\n0.169689 0.630391 0.753843 S\n0.340885 0.183569 0.688483 S\n0.792768 0.028466 0.586039 S\n0.521924 0.785556 0.014387 Cl\n0.478075 0.214443 -0.014388 Cl\n0.386440 0.487596 0.124423 Cl\n0.613560 0.512403 0.875576 Cl\n0.458007 0.056639 0.195143 Cl\n0.651056 0.683033 0.669134 Cl\n0.541992 0.943360 0.804856 Cl\n0.999261 0.845657 0.928846 Cl\n0.000738 0.154342 0.071153 Cl\n0.348944 0.316966 0.330865 Cl\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ta",
"P",
"S",
"Cl"
],
"chemical_system": "Cl-P-S-Ta",
"density": 2.8459155344577307,
"density_atomic": 0.040016248853057976,
"volume": 749.6954577167332,
"volume_molar": 15.049238578342653,
"formula_full": "Ta2 P8 S10 Cl10",
"formula_reduced": "TaP4(SCl)5",
"formula_anonymous": "AB4C5D5",
"energy_above_hull": 2.3228121025,
"spacegroup": 2
},
{
"id": "jvasp-97636",
"created_at": "2022-09-04T14:36:00.818567Z",
"updated_at": "2022-09-04T14:36:00.818591Z",
"structure_string": "Ca4 B12 H20 O32\n1.0\n6.072599 -0.036451 0.000000\n-3.042613 8.236271 0.000000\n0.000000 0.000000 11.147915\nCa B H O\n4 12 20 32\ndirect\n0.262041 0.118711 0.705760 Ca\n0.739710 0.386214 0.289162 Ca\n0.260290 0.613786 0.789163 Ca\n0.737960 0.881289 0.205760 Ca\n0.318144 0.084088 0.289871 B\n0.508971 0.974272 0.449769 B\n0.166329 0.786483 0.331657 B\n0.491030 0.025728 0.949770 B\n0.495862 0.528024 0.551216 B\n0.681856 0.915912 0.789872 B\n0.837355 0.715231 0.669834 B\n0.833671 0.213517 0.831657 B\n0.680567 0.421978 0.718649 B\n0.319434 0.578022 0.218648 B\n0.162645 0.284769 0.169834 B\n0.504138 0.471976 0.051216 B\n0.698626 0.820648 0.473728 H\n0.704387 0.324593 0.022261 H\n0.657393 0.646344 0.924324 H\n0.342607 0.353656 0.424324 H\n0.978294 0.042378 0.474770 H\n0.319479 0.939638 0.110187 H\n0.765722 0.306368 0.535092 H\n0.027878 0.449188 0.527451 H\n0.234279 0.693632 0.035092 H\n0.966278 0.776039 0.000162 H\n0.301375 0.179352 0.973728 H\n0.861023 0.666859 0.421615 H\n0.140495 0.835884 0.578305 H\n0.138977 0.333141 0.921615 H\n0.295613 0.675407 0.522261 H\n0.972123 0.550812 0.027450 H\n0.680522 0.060362 0.610188 H\n0.021707 0.957622 0.974770 H\n0.859506 0.164116 0.078304 H\n0.033723 0.223961 0.500162 H\n0.096807 0.641623 0.983774 O\n0.321063 0.725678 0.258629 O\n0.481476 0.412196 0.652596 O\n0.705549 0.916096 0.422680 O\n0.721848 0.664769 0.553125 O\n0.516315 0.549597 0.933725 O\n0.722585 0.160165 0.948251 O\n0.681049 0.770450 0.746105 O\n0.481887 0.905312 0.853880 O\n0.071771 0.837240 0.659852 O\n0.464216 0.946030 0.068545 O\n0.862939 0.567082 0.730559 O\n0.318951 0.229550 0.246104 O\n0.518524 0.587804 0.152595 O\n0.928229 0.162760 0.159852 O\n0.070464 0.332969 0.839993 O\n0.903194 0.358377 0.483774 O\n0.146618 0.935116 0.266488 O\n0.535785 0.053970 0.568545 O\n0.104929 0.138002 0.510211 O\n0.895072 0.861998 0.010211 O\n0.277416 0.839835 0.448251 O\n0.289443 0.580388 0.573583 O\n0.483685 0.450403 0.433725 O\n0.710558 0.419612 0.073582 O\n0.278153 0.335231 0.053125 O\n0.137061 0.432918 0.230559 O\n0.929537 0.667031 0.339993 O\n0.294451 0.083904 0.922680 O\n0.518114 0.094688 0.353879 O\n0.678937 0.274322 0.758629 O\n0.853382 0.064884 0.766489 O\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Ca",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-H-O",
"density": 2.454048355969024,
"density_atomic": 0.1222289614252519,
"volume": 556.3329607572983,
"volume_molar": 4.926934410452952,
"formula_full": "Ca4 B12 H20 O32",
"formula_reduced": "CaB3H5O8",
"formula_anonymous": "AB3C5D8",
"energy_above_hull": 3.2058691864705886,
"spacegroup": 4
},
{
"id": "jvasp-97637",
"created_at": "2022-09-04T14:36:04.838967Z",
"updated_at": "2022-09-04T14:36:04.838993Z",
"structure_string": "B2 Te6 O6 F30\n1.0\n9.063353 0.000000 0.000000\n-4.531677 7.849094 -0.000000\n0.000000 0.000000 8.652403\nB Te O F\n2 6 6 30\ndirect\n0.666667 0.333333 0.750000 B\n0.333332 0.666667 0.250000 B\n0.649881 0.009926 0.250000 Te\n0.639954 0.649881 0.750000 Te\n0.009926 0.360045 0.750000 Te\n0.360045 0.350119 0.250000 Te\n0.350119 -0.009926 0.750000 Te\n-0.009927 0.639955 0.250000 Te\n0.430315 0.588473 0.250000 O\n0.841841 0.430315 0.750000 O\n0.569684 0.411526 0.750000 O\n0.411526 0.841841 0.250000 O\n0.588473 0.158158 0.750000 O\n0.158158 0.569684 0.250000 O\n0.802965 0.700019 0.904466 F\n0.299980 0.102946 0.904466 F\n0.197034 0.299980 0.404466 F\n0.102945 0.802965 0.095534 F\n0.102945 0.802965 0.404466 F\n0.878599 0.180904 0.250000 F\n0.474915 0.605909 0.900553 F\n0.180904 0.302305 0.750000 F\n0.700019 0.897054 0.404466 F\n0.869006 0.474916 0.099447 F\n0.869006 0.474916 0.400553 F\n0.802965 0.700019 0.595533 F\n0.394090 0.869006 0.599447 F\n0.299980 0.102946 0.595533 F\n0.819095 0.697695 0.250000 F\n0.525084 0.394090 0.400553 F\n0.302305 0.121401 0.250000 F\n0.121400 0.819096 0.750000 F\n0.474915 0.605909 0.599447 F\n0.605909 0.130994 0.400553 F\n0.525084 0.394090 0.099447 F\n0.130993 0.525084 0.599447 F\n0.700019 0.897054 0.095534 F\n0.394090 0.869006 0.900553 F\n0.605909 0.130994 0.099447 F\n0.130993 0.525084 0.900553 F\n0.897054 0.197035 0.595533 F\n0.197034 0.299980 0.095534 F\n0.697694 0.878599 0.750000 F\n0.897054 0.197035 0.904466 F\n",
"nsites": 44,
"nelements": 4,
"elements": [
"B",
"Te",
"O",
"F"
],
"chemical_system": "B-F-O-Te",
"density": 3.9203108498391224,
"density_atomic": 0.07148378037460397,
"volume": 615.5242457718684,
"volume_molar": 8.42448556643415,
"formula_full": "B2 Te6 O6 F30",
"formula_reduced": "BTe3(OF5)3",
"formula_anonymous": "AB3C3D15",
"energy_above_hull": 0.6155736645833338,
"spacegroup": 176
},
{
"id": "jvasp-97638",
"created_at": "2022-09-04T14:36:07.788844Z",
"updated_at": "2022-09-04T14:36:07.788870Z",
"structure_string": "Ba6 Er2 Mn4 O18\n1.0\n5.817091 -0.000000 0.000000\n-2.908545 5.037659 0.000000\n0.000000 0.000000 14.240759\nBa Er Mn O\n6 2 4 18\ndirect\n0.333296 0.666593 0.091331 Ba\n0.333356 0.666714 0.397160 Ba\n0.666703 0.333407 0.591331 Ba\n0.000012 0.000023 0.744256 Ba\n-0.000012 -0.000023 0.244256 Ba\n0.666643 0.333286 0.897160 Ba\n0.999965 0.999932 0.994259 Er\n0.000034 0.000068 0.494259 Er\n0.333368 0.666735 0.652523 Mn\n0.666685 0.333372 0.335999 Mn\n0.333314 0.666628 0.835999 Mn\n0.666632 0.333265 0.152523 Mn\n0.643443 0.821792 0.583344 O\n0.178353 0.356705 0.583319 O\n0.356557 0.178209 0.083344 O\n0.178347 0.821792 0.583344 O\n0.477931 0.955863 0.744277 O\n0.643357 0.821628 0.905196 O\n0.821653 0.178209 0.083344 O\n0.821646 0.643295 0.083319 O\n0.821730 0.178372 0.405196 O\n0.477925 0.522085 0.744256 O\n0.178270 0.821628 0.905196 O\n0.356642 0.178372 0.405196 O\n0.955840 0.477915 0.244256 O\n0.522068 0.044137 0.244277 O\n0.178271 0.356542 0.905186 O\n0.821728 0.643458 0.405186 O\n0.044159 0.522085 0.744256 O\n0.522074 0.477915 0.244256 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Er",
"Mn",
"O"
],
"chemical_system": "Ba-Er-Mn-O",
"density": 6.630007794478998,
"density_atomic": 0.07188751867782577,
"volume": 417.3186187500685,
"volume_molar": 8.377171546272292,
"formula_full": "Ba6 Er2 Mn4 O18",
"formula_reduced": "Ba3ErMn2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.365669592850575,
"spacegroup": 194
},
{
"id": "jvasp-97639",
"created_at": "2022-09-04T14:36:11.660558Z",
"updated_at": "2022-09-04T14:36:11.660579Z",
"structure_string": "Li12 Nd12 W8 O48\n1.0\n10.233161 0.000000 -3.617969\n-5.116580 8.862177 -3.617969\n0.000000 -0.000000 10.853906\nLi Nd W O\n12 12 8 48\ndirect\n0.125000 0.750000 0.875000 Li\n0.750000 0.875000 0.125000 Li\n0.750000 0.375000 0.625000 Li\n0.125000 0.875000 0.250000 Li\n0.375000 0.250000 0.625000 Li\n0.250000 0.125000 0.875000 Li\n0.875000 0.250000 0.125000 Li\n0.250000 0.625000 0.375000 Li\n0.375000 0.625000 0.750000 Li\n0.625000 0.750000 0.375000 Li\n0.875000 0.125000 0.750000 Li\n0.625000 0.375000 0.250000 Li\n0.125000 0.250000 0.375000 Nd\n0.875000 0.750000 0.625000 Nd\n0.625000 0.250000 0.875000 Nd\n0.750000 0.125000 0.375000 Nd\n0.625000 0.875000 0.750000 Nd\n0.250000 0.875000 0.625000 Nd\n0.875000 0.625000 0.250000 Nd\n0.125000 0.375000 0.750000 Nd\n0.375000 0.750000 0.125000 Nd\n0.750000 0.625000 0.875000 Nd\n0.375000 0.125000 0.250000 Nd\n0.250000 0.375000 0.125000 Nd\n0.500000 -0.000000 -0.000000 W\n0.500000 0.500000 -0.000000 W\n0.000000 0.500000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 W\n0.500000 0.000000 0.500000 W\n-0.000000 0.000000 0.500000 W\n0.591296 0.172552 0.477000 O\n0.918744 0.114297 0.591296 O\n0.385703 0.581256 0.908704 O\n0.976999 0.804448 0.885703 O\n0.614297 0.418745 0.091296 O\n0.091296 0.977000 0.672552 O\n0.976999 0.672552 0.091296 O\n0.695552 0.523001 0.614297 O\n0.114297 0.023001 0.195552 O\n0.672552 0.081255 0.695552 O\n0.418745 0.827449 0.804448 O\n0.581256 0.908704 0.385703 O\n0.591296 0.918745 0.114297 O\n0.523001 0.614297 0.695552 O\n0.918745 0.304448 0.327448 O\n0.885703 0.408704 0.081255 O\n0.827448 0.523001 0.408704 O\n0.081256 0.885703 0.408704 O\n0.804448 0.885703 0.977000 O\n0.908704 0.023001 0.327448 O\n0.908704 0.385703 0.581256 O\n0.304448 0.327448 0.918745 O\n0.804448 0.418745 0.827449 O\n0.172552 0.477000 0.591296 O\n0.672552 0.091296 0.977000 O\n0.304448 0.477000 0.385703 O\n0.385703 0.304448 0.477000 O\n0.581255 0.172552 0.195552 O\n0.408704 0.081255 0.885703 O\n0.476999 0.385703 0.304448 O\n0.023001 0.327448 0.908704 O\n0.091296 0.614297 0.418745 O\n0.827448 0.804448 0.418745 O\n0.081256 0.695552 0.672552 O\n0.523001 0.408704 0.827449 O\n0.614297 0.695552 0.523001 O\n0.195552 0.114297 0.023001 O\n0.695552 0.672552 0.081255 O\n0.195552 0.581256 0.172552 O\n0.327448 0.908704 0.023001 O\n0.114297 0.591296 0.918745 O\n0.172552 0.195552 0.581256 O\n0.023001 0.195552 0.114297 O\n0.327448 0.918745 0.304448 O\n0.885703 0.977000 0.804448 O\n0.476999 0.591296 0.172552 O\n0.418745 0.091296 0.614297 O\n0.408704 0.827449 0.523001 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Nd",
"W",
"O"
],
"chemical_system": "Li-Nd-O-W",
"density": 6.83718500181463,
"density_atomic": 0.08127438730062377,
"volume": 984.3199396150478,
"volume_molar": 7.409641536545648,
"formula_full": "Li12 Nd12 W8 O48",
"formula_reduced": "Li3Nd3(WO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 3.122635825,
"spacegroup": 230
},
{
"id": "jvasp-9764",
"created_at": "2022-09-04T14:38:06.685448Z",
"updated_at": "2022-09-04T14:38:06.685469Z",
"structure_string": "Ba2 Nd1 Sb1 O6\n1.0\n5.290449 -0.010528 3.025006\n1.750003 4.992640 3.025006\n-0.014877 -0.010528 6.094202\nBa Nd Sb O\n2 1 1 6\ndirect\n0.749104 0.749103 0.749105 Ba\n0.250896 0.250896 0.250896 Ba\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500001 Sb\n0.691166 0.270259 0.772636 O\n0.270259 0.772634 0.691167 O\n0.772635 0.691166 0.270261 O\n0.308834 0.729740 0.227366 O\n0.227365 0.308834 0.729741 O\n0.729740 0.227365 0.308835 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Sb",
"O"
],
"chemical_system": "Ba-Nd-O-Sb",
"density": 6.549360877728698,
"density_atomic": 0.06195087477460133,
"volume": 161.41822107247802,
"volume_molar": 9.72083248527261,
"formula_full": "Ba2 Nd1 Sb1 O6",
"formula_reduced": "Ba2NdSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.7810610539999998,
"spacegroup": 148
},
{
"id": "jvasp-97642",
"created_at": "2022-09-04T14:36:13.719571Z",
"updated_at": "2022-09-04T14:36:13.719596Z",
"structure_string": "K4 Bi4 P8 Se24\n1.0\n7.625630 0.000000 0.000000\n0.000000 11.489683 -4.463308\n0.000000 0.156692 12.538472\nK Bi P Se\n4 4 8 24\ndirect\n0.587410 0.408200 0.132251 K\n0.412590 0.591800 0.867749 K\n0.912590 0.408200 0.632251 K\n0.087410 0.591800 0.367749 K\n0.641206 0.881150 0.664865 Bi\n0.141206 0.118849 0.835134 Bi\n0.358794 0.118849 0.335134 Bi\n0.858794 0.881150 0.164865 Bi\n0.904159 0.760376 0.818396 P\n0.372643 0.760454 0.196671 P\n0.404159 0.239624 0.681604 P\n0.595841 0.760376 0.318396 P\n0.872643 0.239546 0.303328 P\n0.627357 0.239546 0.803328 P\n0.095841 0.239624 0.181604 P\n0.127357 0.760454 0.696671 P\n0.817701 0.115316 0.685571 Se\n0.692026 0.945182 0.388657 Se\n0.000744 0.688338 0.945352 Se\n0.003718 0.835102 0.573764 Se\n0.996282 0.164898 0.426236 Se\n0.682299 0.115316 0.185571 Se\n0.192026 0.054818 0.111343 Se\n0.307974 0.054818 0.611343 Se\n0.306334 0.339514 0.299414 Se\n0.499256 0.688338 0.445352 Se\n0.807974 0.945182 0.888657 Se\n0.317701 0.884684 0.814428 Se\n0.500744 0.311661 0.554648 Se\n0.736379 0.414366 0.880119 Se\n0.806334 0.660486 0.200586 Se\n0.193666 0.339513 0.799414 Se\n0.182299 0.884684 0.314428 Se\n0.496282 0.835102 0.073764 Se\n-0.000744 0.311662 0.054648 Se\n0.693666 0.660486 0.700586 Se\n0.236379 0.585634 0.619880 Se\n0.503718 0.164898 0.926236 Se\n0.263621 0.585634 0.119880 Se\n0.763621 0.414366 0.380119 Se\n",
"nsites": 40,
"nelements": 4,
"elements": [
"K",
"Bi",
"P",
"Se"
],
"chemical_system": "Bi-K-P-Se",
"density": 4.716014276903179,
"density_atomic": 0.03623501018754212,
"volume": 1103.9047537994709,
"volume_molar": 16.619674532533896,
"formula_full": "K4 Bi4 P8 Se24",
"formula_reduced": "KBi(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.66781035,
"spacegroup": 14
},
{
"id": "jvasp-97643",
"created_at": "2022-09-04T14:36:15.670713Z",
"updated_at": "2022-09-04T14:36:15.670738Z",
"structure_string": "Ho16 In4 Rh4\n1.0\n8.264214 0.000000 4.771346\n2.754738 7.791576 4.771346\n0.000000 0.000000 9.542693\nHo In Rh\n16 4 4\ndirect\n0.062314 0.437686 0.437686 Ho\n0.650036 0.049890 0.650037 Ho\n0.650036 0.650037 0.650037 Ho\n0.437686 0.437686 0.062314 Ho\n0.189592 0.810409 0.810408 Ho\n0.049890 0.650037 0.650037 Ho\n0.437686 0.062314 0.062314 Ho\n0.189592 0.810409 0.189592 Ho\n0.189592 0.189592 0.810408 Ho\n0.810408 0.810409 0.189592 Ho\n0.062314 0.437686 0.062314 Ho\n0.437686 0.062314 0.437686 Ho\n0.810408 0.189592 0.189592 Ho\n0.810408 0.189592 0.810409 Ho\n0.650036 0.650037 0.049890 Ho\n0.062314 0.062314 0.437686 Ho\n0.416497 0.750510 0.416497 In\n0.416497 0.416497 0.750509 In\n0.750509 0.416497 0.416497 In\n0.416497 0.416497 0.416497 In\n0.427279 0.857574 0.857574 Rh\n0.857573 0.857574 0.857574 Rh\n0.857573 0.427279 0.857574 Rh\n0.857573 0.857574 0.427279 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ho",
"In",
"Rh"
],
"chemical_system": "Ho-In-Rh",
"density": 9.484863067349494,
"density_atomic": 0.03905830780643075,
"volume": 614.4659445806437,
"volume_molar": 15.418335043712483,
"formula_full": "Ho16 In4 Rh4",
"formula_reduced": "Ho4InRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3817675394444442,
"spacegroup": 216
}
]
}