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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=693",
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"results": [
{
"id": "jvasp-21810",
"created_at": "2022-09-04T14:37:29.292771Z",
"updated_at": "2022-09-04T14:37:29.292796Z",
"structure_string": "Ta4 Mn8\n1.0\n2.395659 -4.149403 0.000000\n2.395659 4.149403 -0.000000\n-0.000000 -0.000000 7.886281\nTa Mn\n4 8\ndirect\n0.333333 0.666667 0.937074 Ta\n0.666667 0.333333 0.437074 Ta\n0.666667 0.333333 0.062926 Ta\n0.333333 0.666667 0.562926 Ta\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.827996 0.172004 0.750000 Mn\n0.172004 0.344009 0.250000 Mn\n0.655991 0.827996 0.250000 Mn\n0.344009 0.172004 0.750000 Mn\n0.827996 0.655991 0.750000 Mn\n0.172004 0.827996 0.250000 Mn\n",
"nsites": 12,
"nelements": 2,
"elements": [
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],
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"density": 12.320445935638576,
"density_atomic": 0.07653646259903449,
"volume": 156.78801439866103,
"volume_molar": 7.868329101580363,
"formula_full": "Ta4 Mn8",
"formula_reduced": "TaMn2",
"formula_anonymous": "AB2",
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"spacegroup": 194
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{
"id": "jvasp-109706",
"created_at": "2022-09-04T14:38:27.996636Z",
"updated_at": "2022-09-04T14:38:27.996648Z",
"structure_string": "Mn1 Zn3 S4\n1.0\n3.860682 -0.000000 0.000000\n-1.930340 3.343449 0.000000\n-0.000000 -0.000000 12.717073\nMn Zn S\n1 3 4\ndirect\n0.000000 0.000000 0.247568 Mn\n0.000000 0.000000 0.749416 Zn\n0.333333 0.666667 0.996376 Zn\n0.333333 0.666667 0.502568 Zn\n0.000000 0.000000 0.059276 S\n0.000000 0.000000 0.564142 S\n0.333333 0.666667 0.317488 S\n0.333333 0.666667 0.811168 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Zn",
"S"
],
"chemical_system": "Mn-S-Zn",
"density": 3.8382140755353786,
"density_atomic": 0.04873534995640599,
"volume": 164.1518939980125,
"volume_molar": 12.35682264595788,
"formula_full": "Mn1 Zn3 S4",
"formula_reduced": "MnZn3S4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.9326085551724136,
"spacegroup": 156
},
{
"id": "jvasp-58480",
"created_at": "2022-09-04T14:37:53.707887Z",
"updated_at": "2022-09-04T14:37:53.707915Z",
"structure_string": "Mn4 Zn2 S8\n1.0\n6.274354 -0.000000 -3.294117\n-1.729452 6.031296 -3.294117\n-0.289831 -0.384620 7.070443\nMn Zn S\n4 2 8\ndirect\n0.000000 -0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 -0.000000 0.499999 Mn\n0.000000 0.000000 0.000000 Mn\n0.375000 0.625000 0.749999 Zn\n0.625000 0.375000 0.249999 Zn\n0.759403 0.778263 0.518804 S\n0.759458 0.240597 0.981194 S\n0.221737 0.240597 0.981194 S\n0.240597 0.221737 0.481194 S\n0.240597 0.759459 0.481194 S\n0.240542 0.759404 0.018805 S\n0.759403 0.240542 0.518804 S\n0.778263 0.759404 0.018805 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"S"
],
"chemical_system": "Mn-S-Zn",
"density": 4.0057233397742475,
"density_atomic": 0.055629695292557554,
"volume": 251.6641503494447,
"volume_molar": 10.825406697501137,
"formula_full": "Mn4 Zn2 S8",
"formula_reduced": "Mn2ZnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.266119268965517,
"spacegroup": 227
},
{
"id": "jvasp-107310",
"created_at": "2022-09-04T14:36:57.630406Z",
"updated_at": "2022-09-04T14:36:57.630423Z",
"structure_string": "Mn1 Zn1 S2\n1.0\n3.892438 -0.000000 0.000000\n-1.946219 3.370950 0.000000\n-0.000000 -0.000000 6.399077\nMn Zn S\n1 1 2\ndirect\n0.666667 0.333333 0.496293 Mn\n0.333333 0.666667 0.999077 Zn\n0.666667 0.333333 0.121390 S\n0.333333 0.666667 0.631240 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"S"
],
"chemical_system": "Mn-S-Zn",
"density": 3.648380116801238,
"density_atomic": 0.04763965861867535,
"volume": 83.96365792663237,
"volume_molar": 12.641024168966748,
"formula_full": "Mn1 Zn1 S2",
"formula_reduced": "MnZnS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4394994103448275,
"spacegroup": 156
},
{
"id": "jvasp-11011",
"created_at": "2022-09-04T14:37:09.897090Z",
"updated_at": "2022-09-04T14:37:09.897112Z",
"structure_string": "Mn4 Zn1 S8\n1.0\n6.876443 0.002498 0.001766\n3.440384 5.958920 0.000000\n3.440384 1.986306 5.618125\nMn Zn S\n4 1 8\ndirect\n-0.000001 0.500000 0.500000 Mn\n0.499999 0.500000 0.000000 Mn\n0.499999 0.500000 0.500000 Mn\n0.499999 0.000001 0.500000 Mn\n0.500000 0.000000 0.000000 Zn\n0.263144 0.254078 0.254078 S\n0.263143 0.254079 0.728700 S\n0.263143 0.728700 0.254078 S\n0.729058 0.256980 0.256980 S\n0.270940 0.743021 0.743020 S\n0.736855 0.745922 0.271300 S\n0.736855 0.271301 0.745922 S\n0.736854 0.745923 0.745922 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"S"
],
"chemical_system": "Mn-S-Zn",
"density": 3.9084691268148117,
"density_atomic": 0.05648812945597487,
"volume": 230.13684689509512,
"volume_molar": 10.660896046652551,
"formula_full": "Mn4 Zn1 S8",
"formula_reduced": "Mn4ZnS8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.839109951193634,
"spacegroup": 166
},
{
"id": "jvasp-59636",
"created_at": "2022-09-04T14:37:34.325920Z",
"updated_at": "2022-09-04T14:37:34.325944Z",
"structure_string": "Yb4 Mn2 S8\n1.0\n6.624928 -0.000000 3.824904\n2.208310 6.246042 3.824904\n-0.000000 -0.000000 7.649808\nYb Mn S\n4 2 8\ndirect\n0.500000 0.500000 -0.000001 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.875000 0.875000 0.874999 Mn\n0.125000 0.125000 0.125000 Mn\n0.756727 0.756726 0.756726 S\n0.243274 0.243274 0.770179 S\n0.243274 0.770179 0.243273 S\n0.770180 0.243274 0.243273 S\n0.756726 0.229820 0.756726 S\n0.229821 0.756726 0.756726 S\n0.243274 0.243274 0.243274 S\n0.756727 0.756726 0.229820 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"Mn",
"S"
],
"chemical_system": "Mn-S-Yb",
"density": 5.552983391251003,
"density_atomic": 0.044227402899601656,
"volume": 316.5458309134877,
"volume_molar": 13.616311076801301,
"formula_full": "Yb4 Mn2 S8",
"formula_reduced": "Yb2MnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4761512344827583,
"spacegroup": 227
},
{
"id": "jvasp-53480",
"created_at": "2022-09-04T14:38:33.653182Z",
"updated_at": "2022-09-04T14:38:33.653216Z",
"structure_string": "Yb4 Mn2 S8\n1.0\n6.622048 0.458195 -2.621833\n-2.914215 5.963960 -2.621833\n-0.264539 -0.458195 7.117271\nYb Mn S\n4 2 8\ndirect\n0.127618 0.749999 0.877618 Yb\n0.250000 0.627619 0.377619 Yb\n0.372381 0.250000 0.622381 Yb\n0.750000 0.872382 0.122382 Yb\n0.625000 0.375000 0.250001 Mn\n0.875000 0.125000 0.750000 Mn\n0.013156 0.907968 0.544518 S\n0.968638 0.363450 0.455483 S\n0.092032 0.136550 0.105189 S\n0.531362 0.986844 0.394812 S\n0.407968 0.513157 0.044519 S\n0.636550 0.592032 0.605189 S\n0.486843 0.031362 0.894811 S\n0.863450 0.468637 0.955482 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"Mn",
"S"
],
"chemical_system": "Mn-S-Yb",
"density": 6.3845746533292616,
"density_atomic": 0.050850711345593165,
"volume": 275.3157159366517,
"volume_molar": 11.84278567721923,
"formula_full": "Yb4 Mn2 S8",
"formula_reduced": "Yb2MnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4706340916256155,
"spacegroup": 122
},
{
"id": "jvasp-59861",
"created_at": "2022-09-04T14:38:36.239524Z",
"updated_at": "2022-09-04T14:38:36.239550Z",
"structure_string": "Y2 Mn4 S8\n1.0\n6.625993 -0.108935 -3.492322\n-1.877736 6.410092 -3.390692\n-0.321511 -0.289169 7.477028\nY Mn S\n2 4 8\ndirect\n-0.000000 0.500001 0.000001 Y\n0.000001 -0.000000 0.500000 Y\n0.370746 0.620747 0.750000 Mn\n0.629253 0.379255 0.250000 Mn\n0.500001 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.742249 0.766738 0.524644 S\n0.742095 0.217609 0.975358 S\n0.238765 0.236103 0.002825 S\n0.257750 0.233262 0.475357 S\n0.266721 0.764059 0.502824 S\n0.257904 0.782393 0.024644 S\n0.733277 0.235940 0.497176 S\n0.761234 0.763898 -0.002824 S\n",
"nsites": 14,
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"elements": [
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"Mn",
"S"
],
"chemical_system": "Mn-S-Y",
"density": 3.6164014212838778,
"density_atomic": 0.04661461734177954,
"volume": 300.33497641633846,
"volume_molar": 12.918996450931933,
"formula_full": "Y2 Mn4 S8",
"formula_reduced": "Y(MnS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.932111418965517,
"spacegroup": 74
},
{
"id": "jvasp-59874",
"created_at": "2022-09-04T14:37:06.065073Z",
"updated_at": "2022-09-04T14:37:06.065099Z",
"structure_string": "Y2 Mn4 S8\n1.0\n6.364087 -0.000000 -3.341227\n-1.754187 6.117552 -3.341227\n0.026657 0.035375 7.782278\nY Mn S\n2 4 8\ndirect\n0.375001 0.625001 0.750000 Y\n0.624999 0.375000 0.250000 Y\n-0.000000 0.500001 0.000001 Mn\n0.000001 0.000000 0.500000 Mn\n0.500002 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.772122 0.791043 0.544244 S\n0.746799 0.227880 0.955758 S\n0.208959 0.227880 0.955757 S\n0.227879 0.208958 0.455757 S\n0.227877 0.746797 0.455755 S\n0.253201 0.772121 0.044244 S\n0.772122 0.253202 0.544244 S\n0.791042 0.772122 0.044243 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Mn",
"S"
],
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"density": 3.5670643530383055,
"density_atomic": 0.04597867340494298,
"volume": 304.48899377107557,
"volume_molar": 13.09768271685843,
"formula_full": "Y2 Mn4 S8",
"formula_reduced": "Y(MnS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.9472157046798024,
"spacegroup": 141
},
{
"id": "jvasp-112616",
"created_at": "2022-09-04T14:38:42.556145Z",
"updated_at": "2022-09-04T14:38:42.556172Z",
"structure_string": "Y4 Mn2 S8\n1.0\n6.451781 0.002372 0.000000\n-5.343949 3.614926 0.000000\n-0.000000 -0.000000 12.805370\nY Mn S\n4 2 8\ndirect\n0.382049 0.617952 0.785143 Y\n0.617951 0.382049 0.285143 Y\n0.138822 0.861180 0.582074 Y\n0.861179 0.138820 0.082074 Y\n0.126309 0.873692 0.946342 Mn\n0.873691 0.126308 0.446342 Mn\n0.792217 0.207782 0.635013 S\n0.207783 0.792218 0.135013 S\n0.488453 0.511547 0.995093 S\n0.511547 0.488453 0.495093 S\n0.759256 0.240743 0.894901 S\n0.240744 0.759257 0.394901 S\n0.039941 0.960060 0.769432 S\n0.960059 0.039940 0.269432 S\n",
"nsites": 14,
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"elements": [
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],
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"density": 4.012276777470868,
"density_atomic": 0.04685121968453002,
"volume": 298.8182611737366,
"volume_molar": 12.853754503190604,
"formula_full": "Y4 Mn2 S8",
"formula_reduced": "Y2MnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.621829734482758,
"spacegroup": 36
},
{
"id": "jvasp-53410",
"created_at": "2022-09-04T14:38:33.091356Z",
"updated_at": "2022-09-04T14:38:33.091373Z",
"structure_string": "Tm4 Mn2 S8\n1.0\n7.140443 -0.359100 -2.304625\n-3.881212 6.004256 -2.304625\n0.207326 0.359100 7.500284\nTm Mn S\n4 2 8\ndirect\n0.018367 0.750000 0.768367 Tm\n0.250000 0.518367 0.268367 Tm\n0.481634 0.250000 0.731633 Tm\n0.750000 0.981634 0.231634 Tm\n0.625000 0.375000 0.250000 Mn\n0.875000 0.125000 0.749999 Mn\n0.036351 0.991596 0.552007 S\n0.984344 0.439590 0.447993 S\n0.463650 0.015656 0.955245 S\n0.008404 0.060410 0.044755 S\n0.491596 0.536351 0.052006 S\n0.560411 0.508404 0.544754 S\n0.515656 0.963650 0.455246 S\n0.939590 0.484345 0.947993 S\n",
"nsites": 14,
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"elements": [
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"Mn",
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],
"chemical_system": "Mn-S-Tm",
"density": 5.3531436055080555,
"density_atomic": 0.043307659452624304,
"volume": 323.2684512843523,
"volume_molar": 13.905486549296945,
"formula_full": "Tm4 Mn2 S8",
"formula_reduced": "Tm2MnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.120130820197044,
"spacegroup": 122
},
{
"id": "jvasp-20898",
"created_at": "2022-09-04T14:37:45.235249Z",
"updated_at": "2022-09-04T14:37:45.235273Z",
"structure_string": "Ta8 Mn2 S16\n1.0\n3.313583 -5.739294 -0.000000\n3.313583 5.739294 0.000000\n0.000000 -0.000000 11.802437\nTa Mn S\n8 2 16\ndirect\n0.505068 0.010136 0.250000 Ta\n0.010136 0.505068 0.750000 Ta\n0.494931 0.505068 0.750000 Ta\n0.505068 0.494931 0.250000 Ta\n0.989863 0.494931 0.250000 Ta\n0.494931 0.989863 0.750000 Ta\n0.000000 0.000000 0.250000 Ta\n0.000000 0.000000 0.750000 Ta\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666666 0.613569 S\n0.666666 0.333333 0.113569 S\n0.666666 0.333333 0.386431 S\n0.333333 0.666666 0.886432 S\n0.670063 0.835031 0.383887 S\n0.329937 0.164968 0.883888 S\n0.835031 0.670063 0.883888 S\n0.329937 0.164968 0.616113 S\n0.164968 0.329937 0.116113 S\n0.164968 0.835031 0.383887 S\n0.670063 0.835031 0.116113 S\n0.835031 0.164968 0.883888 S\n0.835031 0.164968 0.616113 S\n0.835031 0.670063 0.616113 S\n0.164968 0.835031 0.116113 S\n0.164968 0.329937 0.383887 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"S"
],
"chemical_system": "Mn-S-Ta",
"density": 7.65889538475144,
"density_atomic": 0.05791823724720388,
"volume": 448.90868983163335,
"volume_molar": 10.397658917512604,
"formula_full": "Ta8 Mn2 S16",
"formula_reduced": "Ta4MnS8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 4.286142618567639,
"spacegroup": 194
}
]
}