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{
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"results": [
{
"id": "jvasp-122100",
"created_at": "2022-09-04T14:38:54.850681Z",
"updated_at": "2022-09-04T14:38:54.850712Z",
"structure_string": "Sm6 Co16 Sn8\n1.0\n7.507943 0.000000 0.000000\n0.000000 7.728889 -4.462276\n-0.000000 0.000000 8.924552\nSm Co Sn\n6 16 8\ndirect\n0.784348 0.471006 0.942011 Sm\n0.784348 0.471006 0.528994 Sm\n0.284349 0.528994 0.057988 Sm\n0.784348 0.057989 0.528994 Sm\n0.284349 0.528994 0.471006 Sm\n0.284349 0.942012 0.471006 Sm\n0.506661 0.000000 -0.000000 Co\n0.006662 0.000000 -0.000000 Co\n0.451375 0.684864 0.842432 Co\n0.451375 0.157568 0.842432 Co\n0.951375 0.315136 0.157567 Co\n0.451375 0.157568 0.315136 Co\n0.951375 0.842433 0.157567 Co\n0.951375 0.842433 0.684863 Co\n0.261318 0.903839 0.096161 Co\n0.761317 0.807677 0.903838 Co\n0.261318 0.903839 0.807677 Co\n0.761317 0.096161 0.903838 Co\n0.761317 0.096161 0.192323 Co\n0.074508 0.333333 0.666666 Co\n0.574508 0.666667 0.333333 Co\n0.261318 0.192323 0.096161 Co\n0.080593 0.170230 0.829770 Sn\n0.951022 0.666667 0.333333 Sn\n0.451023 0.333333 0.666666 Sn\n0.580593 0.829770 0.659538 Sn\n0.580593 0.829770 0.170230 Sn\n0.080593 0.170230 0.340461 Sn\n0.580593 0.340461 0.170230 Sn\n0.080593 0.659539 0.829769 Sn\n",
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],
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"volume": 517.8744216630301,
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"formula_full": "Sm6 Co16 Sn8",
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{
"id": "jvasp-122101",
"created_at": "2022-09-04T14:38:55.419539Z",
"updated_at": "2022-09-04T14:38:55.419574Z",
"structure_string": "Rb12 Cd2 O8\n1.0\n9.118121 0.000000 0.000000\n-4.559061 7.896524 0.000000\n-0.000000 -0.000000 6.915325\nRb Cd O\n12 2 8\ndirect\n0.537329 0.462671 0.113761 Rb\n0.283729 0.141864 0.783155 Rb\n0.716271 0.858135 0.283154 Rb\n0.858135 0.141864 0.783155 Rb\n0.141864 0.283729 0.283154 Rb\n0.141864 0.858135 0.283154 Rb\n0.858135 0.716271 0.783155 Rb\n0.462671 0.925343 0.613761 Rb\n0.925343 0.462671 0.113761 Rb\n0.462671 0.537328 0.613761 Rb\n0.537329 0.074656 0.113761 Rb\n0.074656 0.537328 0.613761 Rb\n0.333333 0.666666 0.007408 Cd\n0.666667 0.333333 0.507408 Cd\n0.195431 0.390863 0.898353 O\n0.333333 0.666666 0.330794 O\n0.666667 0.333333 0.830794 O\n0.804569 0.195431 0.398353 O\n0.804569 0.609137 0.398353 O\n0.195431 0.804569 0.898353 O\n0.390863 0.195431 0.398353 O\n0.609137 0.804569 0.898353 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 4.597059868795653,
"density_atomic": 0.044184380940648985,
"volume": 497.91350544328486,
"volume_molar": 13.629569164020399,
"formula_full": "Rb12 Cd2 O8",
"formula_reduced": "Rb6CdO4",
"formula_anonymous": "AB4C6",
"energy_above_hull": null,
"spacegroup": 186
},
{
"id": "jvasp-122103",
"created_at": "2022-09-04T14:38:55.468359Z",
"updated_at": "2022-09-04T14:38:55.468382Z",
"structure_string": "Rb3 Ho1 V2 O8\n1.0\n6.003630 0.000000 0.000000\n-3.001815 5.199296 0.000000\n-0.000000 -0.000000 7.818062\nRb Ho V O\n3 1 2 8\ndirect\n0.333333 0.666667 0.693014 Rb\n0.666667 0.333334 0.306986 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Ho\n0.333333 0.666667 0.252978 V\n0.666667 0.333334 0.747022 V\n0.333333 0.666667 0.039100 O\n0.666667 0.333334 0.960900 O\n0.174706 0.825294 0.329927 O\n0.825293 0.174707 0.670072 O\n0.174707 0.349414 0.329927 O\n0.825293 0.650587 0.670072 O\n0.650586 0.825294 0.329927 O\n0.349414 0.174707 0.670072 O\n",
"nsites": 14,
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"elements": [
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"Ho",
"V",
"O"
],
"chemical_system": "Ho-O-Rb-V",
"density": 4.431123625238909,
"density_atomic": 0.0573680996003892,
"volume": 244.03806466521021,
"volume_molar": 10.497368401513418,
"formula_full": "Rb3 Ho1 V2 O8",
"formula_reduced": "Rb3HoV2O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": null,
"spacegroup": 164
},
{
"id": "jvasp-122105",
"created_at": "2022-09-04T14:38:54.919835Z",
"updated_at": "2022-09-04T14:38:54.919851Z",
"structure_string": "Rb4 Mo2 O4 F8\n1.0\n7.654376 0.019840 0.000000\n-5.340053 5.483950 0.000000\n-0.000000 -0.000000 7.070162\nRb Mo O F\n4 2 4 8\ndirect\n0.773750 0.226250 0.498033 Rb\n0.226251 0.773750 0.998033 Rb\n0.545926 0.454074 0.005738 Rb\n0.454075 0.545926 0.505738 Rb\n0.883638 0.116362 0.982921 Mo\n0.116363 0.883638 0.482922 Mo\n0.344927 0.105050 0.329041 O\n0.655074 0.894950 0.829040 O\n0.894951 0.655073 0.329041 O\n0.105050 0.344927 0.829040 O\n0.981691 0.018309 0.523740 F\n0.745870 0.254131 0.026989 F\n0.254131 0.745869 0.526989 F\n0.105876 0.344553 0.205249 F\n0.894125 0.655447 0.705249 F\n0.344553 0.105876 0.705249 F\n0.655448 0.894124 0.205249 F\n0.018309 0.981691 0.023740 F\n",
"nsites": 18,
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"elements": [
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"Mo",
"O",
"F"
],
"chemical_system": "F-Mo-O-Rb",
"density": 4.184369897392364,
"density_atomic": 0.06049856828552694,
"volume": 297.52770206144095,
"volume_molar": 9.954187232296329,
"formula_full": "Rb4 Mo2 O4 F8",
"formula_reduced": "Rb2Mo(OF2)2",
"formula_anonymous": "AB2C2D4",
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"spacegroup": 36
},
{
"id": "jvasp-122106",
"created_at": "2022-09-04T14:38:55.413860Z",
"updated_at": "2022-09-04T14:38:55.413887Z",
"structure_string": "Pr4 Al18 Ir6\n1.0\n7.614784 -0.006181 0.000000\n-3.740032 6.633034 0.000000\n-0.000000 -0.000000 9.682644\nPr Al Ir\n4 18 6\ndirect\n0.995519 0.670435 0.250000 Pr\n0.004480 0.329564 0.750000 Pr\n0.670435 0.995519 0.250000 Pr\n0.329564 0.004480 0.750000 Pr\n0.454758 0.661122 0.750000 Al\n0.545242 0.338878 0.250000 Al\n0.661122 0.454758 0.750000 Al\n0.338878 0.545242 0.250000 Al\n0.334668 0.334668 0.951005 Al\n0.665332 0.665332 0.048995 Al\n0.665332 0.665332 0.451005 Al\n0.334668 0.334668 0.548994 Al\n0.335113 0.003030 0.071835 Al\n0.664886 0.996970 0.571835 Al\n0.003030 0.335113 0.428165 Al\n0.335113 0.003030 0.428165 Al\n0.996970 0.664886 0.571835 Al\n0.996970 0.664886 0.928165 Al\n0.003030 0.335113 0.071835 Al\n0.868523 0.868523 0.750000 Al\n0.131477 0.131477 0.250000 Al\n0.664886 0.996970 0.928165 Al\n0.000000 0.000000 0.000000 Ir\n0.670605 0.329395 -0.000000 Ir\n0.329395 0.670605 -0.000000 Ir\n0.329395 0.670605 0.500000 Ir\n0.670605 0.329395 0.500000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 28,
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"elements": [
"Pr",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-Pr",
"density": 7.482036599357737,
"density_atomic": 0.057278688986512595,
"volume": 488.838004071517,
"volume_molar": 10.513754533414744,
"formula_full": "Pr4 Al18 Ir6",
"formula_reduced": "Pr2(Al3Ir)3",
"formula_anonymous": "A2B3C9",
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"spacegroup": 63
},
{
"id": "jvasp-122107",
"created_at": "2022-09-04T14:38:54.423013Z",
"updated_at": "2022-09-04T14:38:54.423038Z",
"structure_string": "Nd1 Zr3 F15\n1.0\n6.857170 -0.004775 -2.872552\n-4.316330 5.328235 -2.872552\n-0.002279 -0.004775 7.434536\nNd Zr F\n1 3 15\ndirect\n0.997995 0.997995 0.997996 Nd\n0.360925 0.793280 0.360926 Zr\n0.360925 0.360924 0.793280 Zr\n0.793279 0.360924 0.360925 Zr\n0.176584 0.417532 0.176584 F\n0.859862 0.640212 0.640213 F\n0.640212 0.640212 0.859863 F\n0.640213 0.859862 0.640213 F\n0.755983 0.096608 0.096609 F\n0.096608 0.096608 0.755984 F\n0.653482 0.110217 0.441106 F\n0.176584 0.176584 0.417532 F\n0.441106 0.653482 0.110218 F\n0.441105 0.110217 0.653482 F\n0.110218 0.441105 0.653482 F\n0.110218 0.653482 0.441106 F\n0.653482 0.441105 0.110218 F\n0.096609 0.755985 0.096609 F\n0.417531 0.176584 0.176584 F\n",
"nsites": 19,
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"elements": [
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"Zr",
"F"
],
"chemical_system": "F-Nd-Zr",
"density": 4.302298346674749,
"density_atomic": 0.07003540312449273,
"volume": 271.2913634012529,
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"formula_full": "Nd1 Zr3 F15",
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"formula_anonymous": "AB3C15",
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"spacegroup": 160
},
{
"id": "jvasp-122108",
"created_at": "2022-09-04T14:38:55.272181Z",
"updated_at": "2022-09-04T14:38:55.272210Z",
"structure_string": "Nb4 S4 Br4\n1.0\n6.306691 -0.000000 3.641170\n2.102230 5.946005 3.641170\n-0.000000 -0.000000 7.282339\nNb S Br\n4 4 4\ndirect\n0.351633 0.351633 0.351633 Nb\n0.351633 0.351633 0.945103 Nb\n0.351633 0.945102 0.351633 Nb\n0.945102 0.351633 0.351633 Nb\n0.119038 0.119038 0.119038 S\n0.119038 0.119038 0.642886 S\n0.119039 0.642885 0.119039 S\n0.642886 0.119038 0.119039 S\n0.623407 0.623406 0.623407 Br\n0.623407 0.623406 0.129781 Br\n0.623407 0.129780 0.623407 Br\n0.129781 0.623406 0.623407 Br\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"S",
"Br"
],
"chemical_system": "Br-Nb-S",
"density": 4.983117708070681,
"density_atomic": 0.04394237551435518,
"volume": 273.0849176799697,
"volume_molar": 13.704631780848253,
"formula_full": "Nb4 S4 Br4",
"formula_reduced": "NbSBr",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-122109",
"created_at": "2022-09-04T14:38:55.357740Z",
"updated_at": "2022-09-04T14:38:55.357767Z",
"structure_string": "Na2 Tb2 Cl8\n1.0\n6.522036 0.077183 -0.209760\n-1.249839 6.551798 0.031602\n0.023756 -0.009754 6.945305\nTb Na Cl\n2 2 8\ndirect\n0.788768 0.700012 0.942944 Tb\n0.211233 0.299988 0.057055 Tb\n0.225678 0.810847 0.457335 Na\n0.774323 0.189154 0.542664 Na\n0.604642 0.779711 0.622626 Cl\n0.395359 0.220289 0.377373 Cl\n0.089760 0.001471 0.786253 Cl\n0.910242 -0.001471 0.213746 Cl\n0.056269 0.500150 0.750834 Cl\n0.943733 0.499851 0.249165 Cl\n0.575820 0.302166 0.886162 Cl\n0.424181 0.697835 0.113837 Cl\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Cl-Na-Tb",
"density": 3.6140727168403988,
"density_atomic": 0.04033851968957569,
"volume": 297.482408683952,
"volume_molar": 14.929007822655045,
"formula_full": "Na2 Tb2 Cl8",
"formula_reduced": "NaTbCl4",
"formula_anonymous": "ABC4",
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"spacegroup": 2
},
{
"id": "jvasp-122110",
"created_at": "2022-09-04T14:38:55.303243Z",
"updated_at": "2022-09-04T14:38:55.303270Z",
"structure_string": "Nd16 Cd4 Ir4\n1.0\n8.586709 -0.000000 4.957538\n2.862236 8.095626 4.957538\n-0.000000 -0.000000 9.915077\nNd Cd Ir\n16 4 4\ndirect\n0.349035 0.349035 0.349035 Nd\n0.938318 0.938318 0.561682 Nd\n0.561682 0.561682 0.938318 Nd\n0.938318 0.561682 0.938318 Nd\n0.561683 0.938318 0.561682 Nd\n0.938318 0.561682 0.561682 Nd\n0.809329 0.809329 0.190671 Nd\n0.190671 0.190671 0.809329 Nd\n0.561683 0.938318 0.938318 Nd\n0.190671 0.809329 0.190671 Nd\n0.190671 0.809329 0.809329 Nd\n0.809329 0.190671 0.190671 Nd\n0.952896 0.349035 0.349035 Nd\n0.349035 0.952896 0.349035 Nd\n0.349035 0.349035 0.952896 Nd\n0.809329 0.190671 0.809329 Nd\n0.580478 0.580478 0.580478 Cd\n0.580478 0.580478 0.258565 Cd\n0.580478 0.258565 0.580478 Cd\n0.258565 0.580478 0.580478 Cd\n0.141763 0.574710 0.141763 Ir\n0.141763 0.141763 0.141763 Ir\n0.141763 0.141763 0.574710 Ir\n0.574710 0.141763 0.141763 Ir\n",
"nsites": 24,
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"elements": [
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],
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"density": 8.49582243471414,
"density_atomic": 0.034820737792477734,
"volume": 689.2444422927961,
"volume_molar": 17.294696039728812,
"formula_full": "Nd16 Cd4 Ir4",
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},
{
"id": "jvasp-122112",
"created_at": "2022-09-04T14:38:55.382927Z",
"updated_at": "2022-09-04T14:38:55.382954Z",
"structure_string": "Na3 Sm2 Si2 Se6\n1.0\n7.103653 0.333612 1.319633\n-3.540861 6.167292 1.319633\n0.158500 0.289210 7.656190\nNa Sm Si Se\n3 2 2 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.658377 0.341622 -0.000000 Na\n0.341622 0.658377 -0.000000 Na\n0.836469 0.163530 0.500000 Sm\n0.163530 0.836469 0.500000 Sm\n0.565046 0.565046 0.330860 Si\n0.434954 0.434954 0.669139 Si\n0.210785 0.210785 0.239099 Se\n0.789215 0.789215 0.760901 Se\n0.592285 0.924302 0.272248 Se\n0.407714 0.075697 0.727752 Se\n0.075697 0.407714 0.727752 Se\n0.924302 0.592285 0.272248 Se\n",
"nsites": 13,
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"elements": [
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"Se"
],
"chemical_system": "Na-Se-Si-Sm",
"density": 4.40429442360694,
"density_atomic": 0.038327575499468754,
"volume": 339.181381305483,
"volume_molar": 15.7122924722527,
"formula_full": "Na3 Sm2 Si2 Se6",
"formula_reduced": "Na3Sm2(SiSe3)2",
"formula_anonymous": "A2B2C3D6",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-122113",
"created_at": "2022-09-04T14:38:55.461283Z",
"updated_at": "2022-09-04T14:38:55.461303Z",
"structure_string": "Na2 Ce2 C4 O12\n1.0\n5.174171 -0.000000 0.000000\n0.000000 6.413190 0.000000\n-0.000000 -0.000000 7.094157\nNa Ce C O\n2 2 4 12\ndirect\n-0.000000 0.481164 0.030251 Na\n-0.000000 0.518836 0.530251 Na\n0.500000 0.134329 0.325685 Ce\n0.500000 0.865670 0.825685 Ce\n0.500000 0.586956 0.245192 C\n0.500000 0.413044 0.745192 C\n-0.000000 0.034071 0.996523 C\n-0.000000 0.965929 0.496523 C\n0.780254 0.124031 0.032010 O\n0.219746 0.875969 0.532010 O\n0.780254 0.875969 0.532010 O\n0.219746 0.124031 0.032010 O\n0.713206 0.490870 0.282570 O\n-0.000000 0.854299 0.913563 O\n0.713206 0.509130 0.782570 O\n0.286794 0.490870 0.282570 O\n0.500000 0.229503 0.665628 O\n-0.000000 0.145701 0.413563 O\n0.286794 0.509130 0.782570 O\n0.500000 0.770497 0.165628 O\n",
"nsites": 20,
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"elements": [
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"C",
"O"
],
"chemical_system": "C-Ce-Na-O",
"density": 3.9942885746403656,
"density_atomic": 0.0849599632486544,
"volume": 235.4049982515354,
"volume_molar": 7.0882101753915,
"formula_full": "Na2 Ce2 C4 O12",
"formula_reduced": "NaCe(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": null,
"spacegroup": 26
},
{
"id": "jvasp-122114",
"created_at": "2022-09-04T14:38:55.144348Z",
"updated_at": "2022-09-04T14:38:55.144369Z",
"structure_string": "Nd12 Ni6 Pb1\n1.0\n8.176695 -0.000000 -2.890898\n-4.088348 7.081226 -2.890898\n-0.000000 -0.000000 8.672695\nNd Ni Pb\n12 6 1\ndirect\n0.813387 0.693525 0.506912 Nd\n0.880140 0.186614 0.693525 Nd\n0.119861 0.813387 0.306475 Nd\n0.506912 0.813387 0.693525 Nd\n0.306475 0.119861 0.813387 Nd\n0.693525 0.880140 0.186614 Nd\n0.493089 0.186614 0.306475 Nd\n0.693525 0.506912 0.813387 Nd\n0.813387 0.306475 0.119861 Nd\n0.186614 0.693525 0.880140 Nd\n0.186614 0.306475 0.493089 Nd\n0.306475 0.493089 0.186614 Nd\n0.500000 0.121931 0.621931 Ni\n0.878070 0.378070 0.500000 Ni\n0.121931 0.621931 0.500000 Ni\n0.378070 0.500000 0.878070 Ni\n0.621931 0.500000 0.121931 Ni\n0.500000 0.878070 0.378070 Ni\n0.000000 0.000000 0.000000 Pb\n",
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"elements": [
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],
"chemical_system": "Nd-Ni-Pb",
"density": 7.5734609905878045,
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"volume": 502.15793199035653,
"volume_molar": 15.916135527349654,
"formula_full": "Nd12 Ni6 Pb1",
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"formula_anonymous": "AB6C12",
"energy_above_hull": null,
"spacegroup": 204
}
]
}