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=4469",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4467",
"results": [
{
"id": "jvasp-42723",
"created_at": "2022-09-04T14:38:12.172762Z",
"updated_at": "2022-09-04T14:38:12.172778Z",
"structure_string": "Li4 Fe4 P4 O16\n1.0\n4.924124 -0.001429 -0.000317\n0.002010 6.089062 -0.000039\n0.000740 0.000180 9.391747\nLi Fe P O\n4 4 4 16\ndirect\n0.477433 0.249982 0.167508 Li\n0.977433 0.749966 0.332492 Li\n0.022566 0.250033 0.667508 Li\n0.522566 0.750018 0.832492 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 -0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.529719 0.250015 0.822068 P\n0.029720 0.750024 0.677933 P\n0.970279 0.249976 0.322067 P\n0.470280 0.749984 0.177932 P\n0.219618 0.250025 0.855460 O\n0.098500 0.750007 0.841998 O\n0.598499 0.250005 0.658001 O\n0.719619 0.750025 0.644539 O\n0.160946 0.541296 0.615132 O\n0.160944 0.958754 0.615143 O\n0.839056 0.041245 0.384857 O\n0.339056 0.541259 0.115141 O\n0.280380 0.249975 0.355461 O\n0.401501 0.749994 0.341999 O\n0.901500 0.249992 0.158001 O\n0.780382 0.749975 0.144540 O\n0.660943 0.458741 0.884858 O\n0.339055 0.958715 0.115133 O\n0.839053 0.458703 0.384868 O\n0.660944 0.041285 0.884866 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.721113514135806,
"density_atomic": 0.09943338531272929,
"volume": 281.59556181192886,
"volume_molar": 6.056457537938273,
"formula_full": "Li4 Fe4 P4 O16",
"formula_reduced": "LiFePO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4359221428571427,
"spacegroup": 62
},
{
"id": "jvasp-111915",
"created_at": "2022-09-04T14:38:28.147870Z",
"updated_at": "2022-09-04T14:38:28.147896Z",
"structure_string": "Na4 Co4 P4 O16\n1.0\n5.227237 -0.003850 0.000001\n-0.035196 7.438356 -0.000004\n-0.000000 0.000000 9.943193\nNa Co P O\n4 4 4 16\ndirect\n0.711897 0.514852 0.118595 Na\n0.211897 0.014851 0.381406 Na\n0.288103 0.485149 0.881405 Na\n0.788103 0.985150 0.618595 Na\n0.699056 0.005770 0.170974 Co\n0.199056 0.505770 0.329026 Co\n0.800944 0.494230 0.670974 Co\n0.300943 0.994230 0.829026 Co\n0.806587 0.221248 0.903974 P\n0.693413 0.278752 0.403975 P\n0.193413 0.778754 0.096025 P\n0.306586 0.721248 0.596025 P\n0.659332 0.071599 0.828758 O\n0.340668 0.928402 0.171242 O\n0.721755 0.414481 0.860077 O\n0.221754 0.914482 0.639923 O\n0.278245 0.585518 0.139923 O\n0.778246 0.085518 0.360077 O\n0.095623 0.205176 0.870738 O\n0.257314 0.714129 0.442514 O\n0.404376 0.294825 0.370738 O\n0.904376 0.794825 0.129262 O\n0.742686 0.285872 0.557487 O\n0.242685 0.785872 0.942513 O\n0.159332 0.571600 0.671241 O\n0.757314 0.214129 0.057486 O\n0.595623 0.705176 0.629261 O\n0.840669 0.428401 0.328758 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Na",
"Co",
"P",
"O"
],
"chemical_system": "Co-Na-O-P",
"density": 3.039131454959883,
"density_atomic": 0.0724243363864987,
"volume": 386.6103770778871,
"volume_molar": 8.31507896442755,
"formula_full": "Na4 Co4 P4 O16",
"formula_reduced": "NaCoPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.204392771428571,
"spacegroup": 14
},
{
"id": "jvasp-40468",
"created_at": "2022-09-04T14:38:29.891768Z",
"updated_at": "2022-09-04T14:38:29.891795Z",
"structure_string": "Li4 Ag8 F16\n1.0\n6.158554 -0.000442 -0.003553\n0.001243 7.936709 -0.063225\n0.000113 0.063392 7.939465\nLi Ag F\n4 8 16\ndirect\n0.030359 0.249995 0.250036 Li\n0.524316 0.249983 0.249934 Li\n0.469633 0.750014 0.749965 Li\n0.975685 0.749954 0.750064 Li\n0.250170 0.895039 0.104978 Ag\n0.750291 0.920071 0.419996 Ag\n0.750079 0.580010 0.080033 Ag\n0.250194 0.605023 0.395021 Ag\n0.249849 0.395057 0.895051 Ag\n0.249788 0.105005 0.604979 Ag\n0.749942 0.080042 0.919946 Ag\n0.749681 0.420035 0.580045 Ag\n0.948232 0.516092 0.805718 F\n0.948694 0.805646 0.983902 F\n0.450101 0.804376 0.516559 F\n0.449687 0.695587 0.983325 F\n0.948959 0.694333 0.516184 F\n0.449345 0.516587 0.695548 F\n0.050535 0.483388 0.195636 F\n0.551746 0.016102 0.194265 F\n0.049792 0.304331 0.483468 F\n0.551384 0.305691 0.016128 F\n0.551032 0.194336 0.483787 F\n0.050281 0.195590 0.016657 F\n0.449542 0.983428 0.804358 F\n0.050682 0.016584 0.304449 F\n0.551564 0.483904 0.305634 F\n0.948412 0.983860 0.694389 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 5.1116850019236555,
"density_atomic": 0.07214727812749501,
"volume": 388.0950290393467,
"volume_molar": 8.347010332611548,
"formula_full": "Li4 Ag8 F16",
"formula_reduced": "LiAg2F4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0455493502857141,
"spacegroup": 90
},
{
"id": "jvasp-39058",
"created_at": "2022-09-04T14:38:29.938433Z",
"updated_at": "2022-09-04T14:38:29.938459Z",
"structure_string": "Zn6 Mo4 O18\n1.0\n0.000000 7.817503 0.149818\n7.167960 0.000000 0.000000\n0.000000 -3.774702 -7.508180\nZn Mo O\n6 4 18\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.155863 0.250000 0.798934 Zn\n0.844137 0.750000 0.201066 Zn\n0.341584 0.250000 0.242204 Zn\n0.658416 0.750000 0.757795 Zn\n0.445857 0.750000 0.278204 Mo\n0.554143 0.250000 0.721796 Mo\n0.844869 0.250000 0.302764 Mo\n0.155131 0.750000 0.697236 Mo\n0.569156 0.750000 0.146439 O\n0.884148 0.450547 0.197510 O\n0.115851 0.950547 0.802490 O\n0.115851 0.549453 0.802490 O\n0.884148 0.049453 0.197510 O\n0.618497 0.750000 0.507577 O\n0.381503 0.250000 0.492422 O\n0.430844 0.250000 0.853560 O\n0.993230 0.750000 0.464681 O\n0.293500 0.950854 0.225391 O\n0.293500 0.549146 0.225391 O\n0.706500 0.049146 0.774609 O\n0.104497 0.250000 0.008371 O\n0.006770 0.250000 0.535318 O\n0.393131 0.750000 0.723424 O\n0.606868 0.250000 0.276575 O\n0.706500 0.450854 0.774609 O\n0.895502 0.750000 0.991628 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Zn",
"Mo",
"O"
],
"chemical_system": "Mo-O-Zn",
"density": 4.241114455362384,
"density_atomic": 0.06719924077207251,
"volume": 416.6713742342843,
"volume_molar": 8.961620236791063,
"formula_full": "Zn6 Mo4 O18",
"formula_reduced": "Zn3Mo2O9",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.4182788928571424,
"spacegroup": 11
},
{
"id": "jvasp-117344",
"created_at": "2022-09-04T14:38:26.216981Z",
"updated_at": "2022-09-04T14:38:26.216998Z",
"structure_string": "K12 Sb4 S12\n1.0\n9.408350 -0.000000 0.000000\n0.000000 9.408350 0.000000\n-0.000000 -0.000000 9.408350\nK Sb S\n12 4 12\ndirect\n0.439132 0.939132 0.560868 K\n0.939132 0.560868 0.439132 K\n0.560868 0.439132 0.939132 K\n0.060868 0.060868 0.060868 K\n0.931594 0.431594 0.068406 K\n0.431594 0.068406 0.931594 K\n0.068406 0.931594 0.431594 K\n0.568406 0.568406 0.568406 K\n0.677956 0.177956 0.322044 K\n0.177956 0.322044 0.677956 K\n0.322044 0.677956 0.177956 K\n0.822044 0.822044 0.822044 K\n0.281612 0.281612 0.281612 Sb\n0.781612 0.218388 0.718388 Sb\n0.718388 0.781612 0.218388 Sb\n0.218388 0.718388 0.781612 Sb\n0.146494 0.969685 0.752368 S\n0.247632 0.646494 0.530315 S\n0.469685 0.747632 0.853506 S\n0.646494 0.530315 0.247632 S\n0.747632 0.853506 0.469685 S\n0.969685 0.752368 0.146494 S\n0.853506 0.469685 0.747632 S\n0.752368 0.146494 0.969685 S\n0.530315 0.247632 0.646494 S\n0.353506 0.030315 0.252368 S\n0.252368 0.353506 0.030315 S\n0.030315 0.252368 0.353506 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Sb",
"S"
],
"chemical_system": "K-S-Sb",
"density": 2.6738519082186487,
"density_atomic": 0.033621542609785546,
"volume": 832.7993847566829,
"volume_molar": 17.91155399945051,
"formula_full": "K12 Sb4 S12",
"formula_reduced": "K3SbS3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.5744371571428571,
"spacegroup": 198
},
{
"id": "jvasp-112279",
"created_at": "2022-09-04T14:38:26.217049Z",
"updated_at": "2022-09-04T14:38:26.217083Z",
"structure_string": "Li8 Mn6 O14\n1.0\n4.838036 0.014506 1.205296\n1.134024 6.745360 0.811577\n-0.008598 0.009997 7.603250\nLi Mn O\n8 6 14\ndirect\n0.707826 0.060323 0.568821 Li\n0.837607 0.762665 0.285505 Li\n0.577770 0.354997 0.849204 Li\n0.422229 0.645004 0.150797 Li\n0.292174 0.939678 0.431180 Li\n0.162392 0.237336 0.714496 Li\n-0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.646834 0.235364 0.222392 Mn\n0.353165 0.764637 0.777609 Mn\n0.783047 0.925514 0.927492 Mn\n0.073228 0.370852 0.359188 Mn\n0.926771 0.629149 0.640813 Mn\n0.216953 0.074487 0.072509 Mn\n0.392177 0.220052 0.450472 O\n0.531878 0.926741 0.164189 O\n0.668514 0.639742 0.873127 O\n0.975168 0.103440 0.317371 O\n0.845513 0.378961 0.599076 O\n0.900076 0.211662 0.981283 O\n0.024831 0.896561 0.682630 O\n0.331485 0.360259 0.126874 O\n0.468122 0.073260 0.835812 O\n0.773635 0.491580 0.255632 O\n0.607823 0.779949 0.549529 O\n0.226364 0.508421 0.744369 O\n0.154487 0.621040 0.400925 O\n0.099924 0.788339 0.018718 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.077931083488122,
"density_atomic": 0.11288236140089938,
"volume": 248.04583862804373,
"volume_molar": 5.334881982679732,
"formula_full": "Li8 Mn6 O14",
"formula_reduced": "Li4Mn3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.7080311588669947,
"spacegroup": 2
},
{
"id": "jvasp-34725",
"created_at": "2022-09-04T14:38:18.263296Z",
"updated_at": "2022-09-04T14:38:18.263308Z",
"structure_string": "Al8 Bi4 S16\n1.0\n7.549426 -0.000000 -0.000000\n0.000000 7.549426 0.000000\n0.000000 0.000000 12.003660\nAl Bi S\n8 4 16\ndirect\n0.500000 0.000000 0.750000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.250000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.500000 0.250000 Al\n0.000000 0.500000 0.750000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.132084 Bi\n0.000000 0.000000 0.367916 Bi\n0.500000 0.500000 0.867916 Bi\n0.000000 0.000000 0.632084 Bi\n0.663621 0.842183 0.124888 S\n0.657818 0.163621 0.375112 S\n0.842183 0.663621 0.875112 S\n0.157818 0.336380 0.875112 S\n0.657818 0.836380 0.624888 S\n0.163621 0.657818 0.624888 S\n0.157818 0.663621 0.124888 S\n0.163621 0.342182 0.375112 S\n0.663621 0.157818 0.875112 S\n0.836380 0.657818 0.375112 S\n0.342182 0.163621 0.624888 S\n0.842183 0.336380 0.124888 S\n0.336380 0.157818 0.124888 S\n0.336380 0.842183 0.875112 S\n0.342182 0.836380 0.375112 S\n0.836380 0.342182 0.624888 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"Bi",
"S"
],
"chemical_system": "Al-Bi-S",
"density": 3.7981336650640336,
"density_atomic": 0.04092761907319335,
"volume": 684.134592582234,
"volume_molar": 14.714124340412374,
"formula_full": "Al8 Bi4 S16",
"formula_reduced": "Al2BiS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7883285571428569,
"spacegroup": 126
},
{
"id": "jvasp-44551",
"created_at": "2022-09-04T14:38:18.917312Z",
"updated_at": "2022-09-04T14:38:18.917338Z",
"structure_string": "Rb12 Lu4 O12\n1.0\n0.000000 7.715188 -0.038230\n7.247355 0.000000 0.000000\n0.000000 -0.821231 -11.567006\nRb Lu O\n12 4 12\ndirect\n0.359093 0.335172 0.923294 Rb\n0.937249 0.622173 0.842004 Rb\n0.377200 0.806614 0.810434 Rb\n0.622801 0.306614 0.689567 Rb\n0.062751 0.122173 0.657996 Rb\n0.640908 0.835172 0.576706 Rb\n0.359093 0.164829 0.423294 Rb\n0.937249 0.877828 0.342004 Rb\n0.377200 0.693387 0.310434 Rb\n0.622801 0.193386 0.189567 Rb\n0.062751 0.377828 0.157996 Rb\n0.640907 0.664829 0.076706 Rb\n0.157915 0.910453 0.069328 Lu\n0.842085 0.410452 0.430672 Lu\n0.157915 0.589548 0.569328 Lu\n0.842085 0.089548 0.930673 Lu\n0.747228 0.353402 0.951970 O\n0.113454 0.049941 0.907946 O\n0.700987 0.946728 0.804212 O\n0.299014 0.446728 0.695788 O\n0.886546 0.549941 0.592054 O\n0.252772 0.853402 0.548031 O\n0.747228 0.146598 0.451969 O\n0.113454 0.450059 0.407946 O\n0.700987 0.553273 0.304212 O\n0.299014 0.053272 0.195788 O\n0.886546 0.950060 0.092054 O\n0.252772 0.646599 0.048031 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Lu",
"O"
],
"chemical_system": "Lu-O-Rb",
"density": 4.921289375553995,
"density_atomic": 0.0432771110693615,
"volume": 646.9932790828753,
"volume_molar": 13.915302133610854,
"formula_full": "Rb12 Lu4 O12",
"formula_reduced": "Rb3LuO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.6262923214285715,
"spacegroup": 14
},
{
"id": "jvasp-117406",
"created_at": "2022-09-04T14:38:26.435574Z",
"updated_at": "2022-09-04T14:38:26.435601Z",
"structure_string": "K6 Nd2 V4 O16\n1.0\n5.934201 -0.000000 0.000000\n0.000000 7.528215 0.108744\n-0.000000 -0.027621 9.940754\nK Nd V O\n6 2 4 16\ndirect\n0.250000 0.133670 0.087883 K\n0.750000 0.866329 0.912116 K\n0.250000 0.684408 0.420407 K\n0.750000 0.315591 0.579592 K\n0.250000 0.994528 0.690869 K\n0.750000 0.005472 0.309130 K\n0.750000 0.507651 0.206939 Nd\n0.250000 0.492349 0.793061 Nd\n0.750000 0.304052 0.923123 V\n0.250000 0.695947 0.076877 V\n0.750000 0.743114 0.586915 V\n0.250000 0.256885 0.413084 V\n0.250000 0.472331 0.044673 O\n0.750000 0.527669 0.955326 O\n0.510444 0.246188 0.833765 O\n0.010444 0.753811 0.166234 O\n0.489556 0.753811 0.166234 O\n0.989556 0.246188 0.833765 O\n0.750000 0.968250 0.592543 O\n0.489082 0.337865 0.331351 O\n0.750000 0.671236 0.421477 O\n0.250000 0.328763 0.578522 O\n0.510918 0.662134 0.668648 O\n0.010918 0.337865 0.331351 O\n0.750000 0.206091 0.081319 O\n0.989081 0.662134 0.668648 O\n0.250000 0.031749 0.407457 O\n0.250000 0.793908 0.918680 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Nd",
"V",
"O"
],
"chemical_system": "K-Nd-O-V",
"density": 3.6748241949524325,
"density_atomic": 0.06304737483456856,
"volume": 444.11048157785854,
"volume_molar": 9.55177083233304,
"formula_full": "K6 Nd2 V4 O16",
"formula_reduced": "K3NdV2O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.1731765642857144,
"spacegroup": 11
},
{
"id": "jvasp-117289",
"created_at": "2022-09-04T14:38:26.249680Z",
"updated_at": "2022-09-04T14:38:26.249706Z",
"structure_string": "Li4 Co1 Sn3 P4 O16\n1.0\n6.834042 -0.000000 0.000000\n0.000000 4.769405 0.105485\n0.000000 0.011612 10.731037\nLi Co Sn P O\n4 1 3 4 16\ndirect\n0.277885 0.950278 0.003458 Li\n0.722115 0.950278 0.003458 Li\n0.765330 0.505249 0.485628 Li\n0.234670 0.505249 0.485628 Li\n-0.000000 0.042654 0.270457 Co\n-0.000000 0.450251 0.782029 Sn\n0.500000 0.557110 0.217837 Sn\n0.500000 0.920228 0.703241 Sn\n-0.000000 0.924786 0.557578 P\n-0.000000 0.621595 0.101641 P\n0.500000 0.365232 0.928082 P\n0.500000 0.110955 0.419709 P\n0.820300 0.794542 0.628891 O\n0.500000 0.789904 0.433032 O\n0.500000 0.683041 0.946999 O\n0.178931 0.767542 0.163389 O\n0.821069 0.767542 0.163389 O\n-0.000000 0.719312 0.960961 O\n0.500000 0.207400 0.057390 O\n0.315753 0.232378 0.349811 O\n0.317035 0.257372 0.855001 O\n-0.000000 0.301402 0.118530 O\n-0.000000 0.245761 0.553478 O\n0.684246 0.232378 0.349811 O\n0.179700 0.794542 0.628891 O\n0.500000 0.246892 0.552929 O\n0.682965 0.257372 0.855001 O\n-0.000000 0.798735 0.423744 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Co",
"Sn",
"P",
"O"
],
"chemical_system": "Co-Li-O-P-Sn",
"density": 3.90592701852546,
"density_atomic": 0.08005434100704983,
"volume": 349.7624194737201,
"volume_molar": 7.522566152246098,
"formula_full": "Li4 Co1 Sn3 P4 O16",
"formula_reduced": "Li4CoSn3(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy_above_hull": 2.5742147857142856,
"spacegroup": 6
},
{
"id": "jvasp-35198",
"created_at": "2022-09-04T14:38:12.027599Z",
"updated_at": "2022-09-04T14:38:12.027629Z",
"structure_string": "Na2 Li4 B2 P4 O16\n1.0\n-5.444135 0.013539 0.028289\n-0.328032 -7.405406 0.007027\n2.631465 1.724889 7.347138\nNa Li B P O\n2 4 2 4 16\ndirect\n0.252690 0.882969 0.743590 Na\n0.747309 0.117031 0.256411 Na\n0.309057 0.503607 0.857898 Li\n0.690941 0.496394 0.142103 Li\n0.858307 0.467186 0.596227 Li\n0.141691 0.532815 0.403774 Li\n0.748533 0.047579 0.766593 B\n0.251466 0.952421 0.233408 B\n0.146513 0.250587 0.054041 P\n0.853486 0.749413 0.945959 P\n0.378234 0.227797 0.547399 P\n0.621764 0.772203 0.452602 P\n0.197936 0.067802 0.393992 O\n0.802063 0.932199 0.606009 O\n0.356996 0.376984 0.054406 O\n0.643003 0.623016 0.945595 O\n0.275841 0.065118 0.106291 O\n0.724157 0.934882 0.893710 O\n0.200340 0.379561 0.597122 O\n0.032915 0.816720 0.149295 O\n0.987622 0.335137 0.176728 O\n0.012376 0.664864 0.823273 O\n0.496581 0.138312 0.717559 O\n0.503417 0.861688 0.282442 O\n0.411305 0.712943 0.515572 O\n0.967084 0.183280 0.850706 O\n0.799658 0.620439 0.402879 O\n0.588693 0.287057 0.484429 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Na",
"Li",
"B",
"P",
"O"
],
"chemical_system": "B-Li-Na-O-P",
"density": 2.6585657711666006,
"density_atomic": 0.09432641216020975,
"volume": 296.8415670516874,
"volume_molar": 6.384363215015141,
"formula_full": "Na2 Li4 B2 P4 O16",
"formula_reduced": "NaLi2B(PO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.506575041666667,
"spacegroup": 2
},
{
"id": "jvasp-24743",
"created_at": "2022-09-04T14:38:29.042670Z",
"updated_at": "2022-09-04T14:38:29.042695Z",
"structure_string": "Fe12 W12 N4\n1.0\n6.756383 -0.000000 3.900800\n2.252128 6.369979 3.900800\n-0.000000 0.000000 7.801599\nFe W N\n12 12 4\ndirect\n0.702910 0.702910 0.391271 Fe\n0.702909 0.391271 0.702910 Fe\n0.391271 0.702910 0.702910 Fe\n0.297090 0.297090 0.297090 Fe\n0.608729 0.297090 0.297090 Fe\n0.297090 0.608729 0.297090 Fe\n0.702910 0.702910 0.702910 Fe\n0.297090 0.297090 0.608729 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.079086 0.079086 0.670914 W\n0.920913 0.329086 0.920914 W\n0.329087 0.920914 0.329086 W\n0.920913 0.329086 0.329087 W\n0.329086 0.329086 0.920914 W\n0.079087 0.670914 0.079086 W\n0.670913 0.670914 0.079087 W\n0.670913 0.079086 0.079087 W\n0.329087 0.920914 0.920914 W\n0.079087 0.670914 0.670914 W\n0.920913 0.920914 0.329087 W\n0.670913 0.079086 0.670914 W\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.500000 0.000000 0.000000 N\n0.000000 0.500000 -0.000000 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Fe",
"W",
"N"
],
"chemical_system": "Fe-N-W",
"density": 14.501526930114624,
"density_atomic": 0.08339156923186995,
"volume": 335.76535683296834,
"volume_molar": 7.221522289927726,
"formula_full": "Fe12 W12 N4",
"formula_reduced": "Fe3W3N",
"formula_anonymous": "AB3C3",
"energy_above_hull": 6.389152821428572,
"spacegroup": 227
}
]
}