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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4602",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4600",
"results": [
{
"id": "jvasp-116570",
"created_at": "2022-09-04T14:38:44.050981Z",
"updated_at": "2022-09-04T14:38:44.051008Z",
"structure_string": "Rb12 Fe4 S12\n1.0\n12.786297 0.000000 0.000000\n-0.000000 6.324883 4.772149\n-0.000000 0.043940 10.245245\nRb Fe S\n12 4 12\ndirect\n0.925193 0.639338 0.612385 Rb\n0.425193 0.360662 0.887615 Rb\n0.074807 0.360662 0.387615 Rb\n0.574807 0.639338 0.112385 Rb\n0.635840 0.611934 0.514276 Rb\n0.135840 0.388065 0.985724 Rb\n0.364161 0.388065 0.485724 Rb\n0.864161 0.611934 0.014276 Rb\n0.810875 0.126769 0.576747 Rb\n0.310875 0.873230 0.923252 Rb\n0.189125 0.873230 0.423253 Rb\n0.689125 0.126769 0.076748 Rb\n0.945075 0.939003 0.148692 Fe\n0.445075 0.060997 0.351308 Fe\n0.054925 0.060997 0.851307 Fe\n0.554925 0.939003 0.648692 Fe\n0.110495 0.866882 0.117003 S\n0.610495 0.133117 0.382997 S\n0.889506 0.133117 0.882996 S\n0.389506 0.866882 0.617003 S\n0.052260 0.882207 0.746304 S\n0.552260 0.117793 0.753696 S\n0.947740 0.117793 0.253696 S\n0.447740 0.882207 0.246304 S\n0.660045 0.652740 0.801817 S\n0.160045 0.347260 0.698182 S\n0.339956 0.347260 0.198182 S\n0.839956 0.652740 0.301818 S\n",
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"elements": [
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"Fe",
"S"
],
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"density": 3.284951519682055,
"density_atomic": 0.033903616299581156,
"volume": 825.8706019023083,
"volume_molar": 17.76253219357723,
"formula_full": "Rb12 Fe4 S12",
"formula_reduced": "Rb3FeS3",
"formula_anonymous": "AB3C3",
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"spacegroup": 14
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{
"id": "jvasp-29479",
"created_at": "2022-09-04T14:38:29.496463Z",
"updated_at": "2022-09-04T14:38:29.496485Z",
"structure_string": "V8 S18 Br8\n1.0\n7.064086 0.000000 -0.000000\n0.000000 10.812747 0.000000\n-0.000000 -0.000000 10.812747\nV S Br\n8 18 8\ndirect\n0.365691 0.887429 0.887429 V\n0.634310 0.387429 0.387429 V\n0.365691 0.612572 0.612572 V\n0.634310 0.112572 0.387429 V\n0.634310 0.387429 0.112572 V\n0.365691 0.612572 0.887429 V\n0.365691 0.887429 0.612572 V\n0.634310 0.112572 0.112572 V\n0.619141 0.560890 0.250000 S\n0.483818 0.250000 0.250000 S\n0.380859 0.439111 0.750000 S\n0.868801 0.467157 0.250000 S\n0.619141 0.939111 0.250000 S\n0.868801 0.250000 0.467157 S\n0.131199 0.532843 0.750000 S\n0.131199 0.967157 0.750000 S\n0.619141 0.250000 0.560890 S\n0.380859 0.060889 0.750000 S\n0.131199 0.750000 0.532843 S\n0.516182 0.750000 0.750000 S\n0.131199 0.750000 0.967157 S\n0.868801 0.250000 0.032843 S\n0.619141 0.250000 0.939111 S\n0.380859 0.750000 0.439111 S\n0.380859 0.750000 0.060889 S\n0.868801 0.032843 0.250000 S\n0.716687 0.555172 0.555172 Br\n0.283313 0.444829 0.055171 Br\n0.716687 0.944829 0.944829 Br\n0.283313 0.055171 0.055171 Br\n0.283313 0.055171 0.444829 Br\n0.716687 0.944829 0.555172 Br\n0.716687 0.555172 0.944829 Br\n0.283313 0.444829 0.444829 Br\n",
"nsites": 34,
"nelements": 3,
"elements": [
"V",
"S",
"Br"
],
"chemical_system": "Br-S-V",
"density": 3.2650468068946545,
"density_atomic": 0.04116715518245851,
"volume": 825.9011303867685,
"volume_molar": 14.628508414800685,
"formula_full": "V8 S18 Br8",
"formula_reduced": "V4S9Br4",
"formula_anonymous": "A4B4C9",
"energy_above_hull": 2.4703384247058824,
"spacegroup": 129
},
{
"id": "jvasp-50378",
"created_at": "2022-09-04T14:37:06.019654Z",
"updated_at": "2022-09-04T14:37:06.019681Z",
"structure_string": "Sr4 Ca2 I12\n1.0\n7.560840 0.000000 0.000000\n0.000000 7.560840 0.000000\n0.000000 0.000000 14.456775\nSr Ca I\n4 2 12\ndirect\n0.000000 0.000000 0.333494 Sr\n0.000000 0.000000 0.666507 Sr\n0.500000 0.500000 0.166507 Sr\n0.500000 0.500000 0.833494 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.793104 0.206896 0.500000 I\n0.706896 0.706896 0.000000 I\n0.695821 0.695821 0.660215 I\n0.695821 0.695821 0.339786 I\n0.304179 0.304179 0.660215 I\n0.206896 0.793104 0.500000 I\n0.293104 0.293104 0.000000 I\n0.804179 0.195821 0.160215 I\n0.195821 0.804179 0.839786 I\n0.195821 0.804179 0.160215 I\n0.304179 0.304179 0.339786 I\n0.804179 0.195821 0.839786 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"I"
],
"chemical_system": "Ca-I-Sr",
"density": 3.9250816229590497,
"density_atomic": 0.02178015608263528,
"volume": 826.4403584486204,
"volume_molar": 27.64966760179137,
"formula_full": "Sr4 Ca2 I12",
"formula_reduced": "Sr2CaI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.77777777782018e-05,
"spacegroup": 136
},
{
"id": "jvasp-112351",
"created_at": "2022-09-04T14:38:26.382160Z",
"updated_at": "2022-09-04T14:38:26.382184Z",
"structure_string": "Rb12 Sn2 Sb6 O1\n1.0\n12.392288 0.000000 0.000000\n-6.196144 10.732036 0.000000\n-0.000000 -0.000000 6.215280\nRb Sn Sb O\n12 2 6 1\ndirect\n0.454281 0.545720 0.250124 Rb\n0.222520 0.111259 0.728218 Rb\n0.888741 0.111259 0.728218 Rb\n0.777481 0.888741 0.271782 Rb\n0.111259 0.222520 0.271782 Rb\n0.111260 0.888741 0.271782 Rb\n0.888741 0.777481 0.728218 Rb\n0.545720 0.091439 0.749876 Rb\n0.545720 0.454281 0.749876 Rb\n0.091439 0.545720 0.250124 Rb\n0.454281 0.908561 0.250124 Rb\n0.908561 0.454281 0.749876 Rb\n0.333334 0.666667 0.752283 Sn\n0.666667 0.333333 0.247717 Sn\n0.590018 0.795009 0.758900 Sb\n0.795009 0.204992 0.241100 Sb\n0.795009 0.590018 0.241100 Sb\n0.409982 0.204992 0.241100 Sb\n0.204992 0.795009 0.758900 Sb\n0.204992 0.409982 0.758900 Sb\n0.000000 0.000000 0.500000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
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"Sn",
"Sb",
"O"
],
"chemical_system": "O-Rb-Sb-Sn",
"density": 4.037038484045224,
"density_atomic": 0.025405338009738168,
"volume": 826.5979374866199,
"volume_molar": 23.704233959381458,
"formula_full": "Rb12 Sn2 Sb6 O1",
"formula_reduced": "Rb12Sn2Sb6O",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 0.0733868333333334,
"spacegroup": 164
},
{
"id": "jvasp-30772",
"created_at": "2022-09-04T14:37:09.017387Z",
"updated_at": "2022-09-04T14:37:09.017412Z",
"structure_string": "V4 Si16 O40\n1.0\n7.396114 0.000000 0.000000\n0.000000 7.396114 -0.000000\n0.000000 0.000000 15.113668\nV Si O\n4 16 40\ndirect\n0.250000 0.250000 0.567474 V\n0.750000 0.750000 0.932526 V\n0.750000 0.750000 0.432526 V\n0.250000 0.250000 0.067474 V\n0.573434 0.507334 0.146188 Si\n0.926565 0.992665 0.146188 Si\n0.007334 0.073434 0.353812 Si\n0.492665 0.426565 0.353812 Si\n0.992665 0.573434 0.146188 Si\n0.426565 0.007334 0.353812 Si\n0.073434 0.492665 0.353812 Si\n0.507334 0.926565 0.146188 Si\n0.426565 0.492665 0.853812 Si\n0.073434 0.007334 0.853812 Si\n0.992665 0.926565 0.646188 Si\n0.507334 0.573434 0.646188 Si\n0.007334 0.426565 0.853812 Si\n0.573434 0.992665 0.646188 Si\n0.926565 0.507334 0.646188 Si\n0.492665 0.073434 0.853812 Si\n0.999907 0.210832 0.875367 O\n0.500092 0.289168 0.875367 O\n0.289168 0.999907 0.875367 O\n0.460363 0.960362 0.250000 O\n0.539637 0.460363 0.250000 O\n0.960362 0.039637 0.250000 O\n0.039637 0.539637 0.250000 O\n0.539637 0.039637 0.750000 O\n0.710832 0.000092 0.124633 O\n0.039637 0.960362 0.750000 O\n0.960362 0.460363 0.750000 O\n0.499908 0.710832 0.124633 O\n0.000092 0.789168 0.124633 O\n0.210832 0.999907 0.375367 O\n0.289168 0.500092 0.375367 O\n0.789168 0.499908 0.124633 O\n0.789168 0.000092 0.624633 O\n0.460363 0.539637 0.750000 O\n0.710832 0.499908 0.624633 O\n0.532224 0.859709 0.414605 O\n0.499908 0.789168 0.624633 O\n0.032224 0.359709 0.585395 O\n0.467775 0.140291 0.585395 O\n0.859709 0.532224 0.914605 O\n0.359709 0.467775 0.585395 O\n0.140291 0.032224 0.585395 O\n0.967775 0.859709 0.914605 O\n0.532224 0.640290 0.914605 O\n0.640290 0.967775 0.914605 O\n0.967775 0.640290 0.414605 O\n0.500092 0.210832 0.375367 O\n0.140291 0.467775 0.085395 O\n0.640290 0.532224 0.414605 O\n0.859709 0.967775 0.414605 O\n0.032224 0.140291 0.085395 O\n0.467775 0.359709 0.085395 O\n0.999907 0.289168 0.375367 O\n0.359709 0.032224 0.085395 O\n0.210832 0.500092 0.875367 O\n0.000092 0.710832 0.624633 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"V",
"Si",
"O"
],
"chemical_system": "O-Si-V",
"density": 2.597212573819835,
"density_atomic": 0.07257285014541712,
"volume": 826.7554585464895,
"volume_molar": 8.29806290910884,
"formula_full": "V4 Si16 O40",
"formula_reduced": "V(Si2O5)2",
"formula_anonymous": "AB4C10",
"energy_above_hull": 3.2178542400000003,
"spacegroup": 130
},
{
"id": "jvasp-98072",
"created_at": "2022-09-04T14:35:57.568571Z",
"updated_at": "2022-09-04T14:35:57.568589Z",
"structure_string": "Cu8 Te10 Cl8 O24\n1.0\n6.391629 0.000000 -0.000000\n-0.000000 11.374098 0.000001\n-0.000000 -0.000001 11.374098\nCu Te Cl O\n8 10 8 24\ndirect\n0.351008 0.755959 0.407936 Cu\n0.648992 0.592064 0.255959 Cu\n0.648992 0.907936 0.244041 Cu\n0.351008 0.092064 0.755959 Cu\n0.351008 0.744041 0.092064 Cu\n0.648992 0.244041 0.592064 Cu\n0.648992 0.255959 0.907936 Cu\n0.351008 0.407936 0.744041 Cu\n0.128424 0.519467 0.325189 Te\n0.128424 0.980534 0.174811 Te\n0.871576 0.480534 0.674811 Te\n0.871576 0.019467 0.825189 Te\n0.128424 0.325189 0.980534 Te\n0.623869 0.750000 0.750000 Te\n0.871576 0.674811 0.019467 Te\n0.376131 0.250000 0.250000 Te\n0.871576 0.825189 0.480533 Te\n0.128424 0.174811 0.519467 Te\n0.672230 0.442429 0.386696 Cl\n0.672230 0.057571 0.113304 Cl\n0.672230 0.386696 0.057571 Cl\n0.327770 0.886696 0.557571 Cl\n0.327770 0.613304 0.942429 Cl\n0.327770 0.942429 0.886696 Cl\n0.327770 0.557571 0.613304 Cl\n0.672230 0.113304 0.442429 Cl\n0.355702 0.872208 0.214106 O\n0.060317 0.791781 0.076751 O\n0.355702 0.285894 0.872208 O\n0.644298 0.127792 0.785894 O\n0.765279 0.791161 0.904771 O\n0.765279 0.904771 0.708839 O\n0.234721 0.095229 0.291161 O\n0.060317 0.423249 0.791781 O\n0.060317 0.076751 0.708219 O\n0.234721 0.208839 0.095229 O\n0.765279 0.708839 0.595229 O\n0.234721 0.291161 0.404771 O\n0.355702 0.627792 0.285894 O\n0.939684 0.923249 0.291781 O\n0.939684 0.208219 0.923249 O\n0.939684 0.291781 0.576752 O\n0.234721 0.404771 0.208839 O\n0.355702 0.214107 0.627792 O\n0.644298 0.785894 0.372208 O\n0.765279 0.595229 0.791161 O\n0.939684 0.576752 0.208219 O\n0.644298 0.372208 0.714107 O\n0.644298 0.714107 0.127792 O\n0.060317 0.708219 0.423249 O\n",
"nsites": 50,
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"elements": [
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"Cl",
"O"
],
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"density": 4.924023371345365,
"density_atomic": 0.06046784819326865,
"volume": 826.8857168554918,
"volume_molar": 9.959244358674553,
"formula_full": "Cu8 Te10 Cl8 O24",
"formula_reduced": "Cu4Te5(ClO3)4",
"formula_anonymous": "A4B4C5D12",
"energy_above_hull": 1.6082475561333334,
"spacegroup": 85
},
{
"id": "jvasp-116608",
"created_at": "2022-09-04T14:38:43.807567Z",
"updated_at": "2022-09-04T14:38:43.807583Z",
"structure_string": "Nb6 Se10 Br14\n1.0\n13.182626 0.000000 0.000000\n-0.000000 7.355514 2.397674\n0.000000 -0.337809 8.426090\nNb Se Br\n6 10 14\ndirect\n0.393184 0.519287 0.442396 Nb\n0.606816 0.480712 0.557604 Nb\n0.893184 0.480712 0.557604 Nb\n0.106816 0.519287 0.442396 Nb\n0.250000 0.898442 0.012677 Nb\n0.750000 0.101557 0.987323 Nb\n0.025947 0.697454 0.641292 Se\n0.525947 0.302545 0.358707 Se\n0.474053 0.697454 0.641292 Se\n0.529356 0.782719 0.366323 Se\n0.974053 0.302545 0.358707 Se\n0.029356 0.217281 0.633677 Se\n0.970644 0.782719 0.366323 Se\n0.750000 0.077772 0.264396 Se\n0.250000 0.922227 0.735604 Se\n0.470644 0.217281 0.633677 Se\n0.750000 0.700061 0.638728 Br\n0.250000 0.299938 0.361272 Br\n0.750000 0.203387 0.631276 Br\n0.250000 0.796612 0.368723 Br\n0.113154 0.115894 0.036096 Br\n0.886847 0.884105 0.963904 Br\n0.386846 0.115894 0.036096 Br\n0.113868 0.627858 0.091008 Br\n0.886132 0.372141 0.908992 Br\n0.613869 0.372141 0.908992 Br\n0.386132 0.627858 0.091008 Br\n0.250000 0.448396 0.694577 Br\n0.613154 0.884105 0.963904 Br\n0.750000 0.551603 0.305423 Br\n",
"nsites": 30,
"nelements": 3,
"elements": [
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"Se",
"Br"
],
"chemical_system": "Br-Nb-Se",
"density": 4.946619528301198,
"density_atomic": 0.03624444360866484,
"volume": 827.7130785593849,
"volume_molar": 16.615348893258513,
"formula_full": "Nb6 Se10 Br14",
"formula_reduced": "Nb3Se5Br7",
"formula_anonymous": "A3B5C7",
"energy_above_hull": 1.837804251222222,
"spacegroup": 11
},
{
"id": "jvasp-21541",
"created_at": "2022-09-04T14:38:36.080647Z",
"updated_at": "2022-09-04T14:38:36.080675Z",
"structure_string": "Ba5 Mg18 Si13\n1.0\n7.286059 -12.619825 0.000000\n7.286059 12.619825 0.000000\n0.000000 0.000000 4.502571\nBa Mg Si\n5 18 13\ndirect\n0.180048 0.000000 0.500000 Ba\n0.819952 0.819952 0.500000 Ba\n0.000000 0.180048 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.333333 0.666667 0.000000 Ba\n0.195325 0.373020 0.000000 Mg\n0.557823 0.000000 0.000000 Mg\n0.442177 0.442177 0.000000 Mg\n0.000000 0.557823 0.000000 Mg\n0.122209 0.483514 0.500000 Mg\n0.516487 0.638695 0.500000 Mg\n0.638695 0.516487 0.500000 Mg\n0.877792 0.361305 0.500000 Mg\n0.361305 0.877792 0.500000 Mg\n0.721902 0.000000 0.500000 Mg\n0.278098 0.278098 0.500000 Mg\n0.000000 0.721902 0.500000 Mg\n0.177694 0.804675 0.000000 Mg\n0.804675 0.177694 0.000000 Mg\n0.822306 0.626980 0.000000 Mg\n0.373020 0.195325 0.000000 Mg\n0.626980 0.822306 0.000000 Mg\n0.483514 0.122209 0.500000 Mg\n0.629285 0.629285 0.000000 Si\n0.000000 0.370715 0.000000 Si\n0.832692 0.000000 0.000000 Si\n0.167307 0.167307 0.000000 Si\n0.000000 0.832692 0.000000 Si\n0.833271 0.524866 0.500000 Si\n0.524866 0.833271 0.500000 Si\n0.308405 0.475134 0.500000 Si\n0.475134 0.308405 0.500000 Si\n0.166730 0.691595 0.500000 Si\n0.370715 0.000000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.691595 0.166730 0.500000 Si\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "Ba-Mg-Si",
"density": 2.9865939954286413,
"density_atomic": 0.04347763567624562,
"volume": 828.0119063527851,
"volume_molar": 13.851122919478916,
"formula_full": "Ba5 Mg18 Si13",
"formula_reduced": "Ba5Mg18Si13",
"formula_anonymous": "A5B13C18",
"energy_above_hull": 0.8596679041666665,
"spacegroup": 189
},
{
"id": "jvasp-40594",
"created_at": "2022-09-04T14:37:56.325315Z",
"updated_at": "2022-09-04T14:37:56.325336Z",
"structure_string": "Rb4 Ba4 Ta4 S16\n1.0\n7.042254 0.000000 0.000000\n0.000000 9.396972 0.000000\n0.000000 0.000000 12.512297\nRb Ba Ta S\n4 4 4 16\ndirect\n0.750000 0.636659 0.090488 Rb\n0.250000 0.863341 0.590489 Rb\n0.750000 0.136659 0.409512 Rb\n0.250000 0.363341 0.909512 Rb\n0.750000 0.978589 0.825485 Ba\n0.250000 0.521410 0.325485 Ba\n0.750000 0.478590 0.674515 Ba\n0.250000 0.021410 0.174515 Ba\n0.250000 0.268795 0.578803 Ta\n0.750000 0.231205 0.078803 Ta\n0.250000 0.768795 0.921197 Ta\n0.750000 0.731205 0.421197 Ta\n0.489700 0.318879 0.162179 S\n0.510300 0.181121 0.662179 S\n0.989699 0.181121 0.662179 S\n0.010300 0.318879 0.162179 S\n0.510300 0.681120 0.837821 S\n0.489700 0.818879 0.337821 S\n0.250000 0.011825 0.912711 S\n0.250000 0.693639 0.094638 S\n0.250000 0.511825 0.587290 S\n0.750000 0.988175 0.087290 S\n0.250000 0.193639 0.405362 S\n0.750000 0.306361 0.905362 S\n0.989699 0.681120 0.837821 S\n0.750000 0.806361 0.594638 S\n0.750000 0.488175 0.412711 S\n0.010300 0.818879 0.337821 S\n",
"nsites": 28,
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"elements": [
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"Ba",
"Ta",
"S"
],
"chemical_system": "Ba-Rb-S-Ta",
"density": 4.267624958871265,
"density_atomic": 0.0338159325728686,
"volume": 828.0120602814641,
"volume_molar": 17.808589921402078,
"formula_full": "Rb4 Ba4 Ta4 S16",
"formula_reduced": "RbBaTaS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.9049335957142857,
"spacegroup": 62
},
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