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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4165",
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"results": [
{
"id": "jvasp-97732",
"created_at": "2022-09-04T14:35:43.150286Z",
"updated_at": "2022-09-04T14:35:43.150316Z",
"structure_string": "La4 Mg4 Si8\n1.0\n4.297805 -0.000000 -0.498734\n-0.057875 4.297415 -0.498734\n-0.002158 -0.002188 18.748781\nLa Mg Si\n4 4 8\ndirect\n0.548130 0.798131 0.596261 La\n0.298131 0.048131 0.096261 La\n0.701869 0.951870 0.903739 La\n0.451870 0.201869 0.403739 La\n0.375078 0.625079 0.250156 Mg\n0.874923 0.124922 0.249844 Mg\n0.125077 0.875079 0.750156 Mg\n0.624922 0.374922 0.749844 Mg\n0.014241 0.264241 0.528483 Si\n0.235758 0.485759 0.971517 Si\n0.172580 0.422581 0.845162 Si\n0.077419 0.327419 0.654838 Si\n0.985759 0.735759 0.471517 Si\n0.764242 0.514242 0.028483 Si\n0.827419 0.577420 0.154839 Si\n0.922581 0.672581 0.345162 Si\n",
"nsites": 16,
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"formula_full": "La4 Mg4 Si8",
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{
"id": "jvasp-119028",
"created_at": "2022-09-04T14:38:51.238832Z",
"updated_at": "2022-09-04T14:38:51.238861Z",
"structure_string": "Pr4 Zn10 Pb2\n1.0\n8.701868 -0.022627 0.000000\n-7.528570 4.363903 0.000000\n-0.000000 -0.000000 9.159704\nPr Zn Pb\n4 10 2\ndirect\n0.205237 0.794762 0.250000 Pr\n0.794762 0.205237 0.750000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.815040 0.184959 0.391137 Zn\n0.184959 0.815040 0.608862 Zn\n0.815040 0.184959 0.108862 Zn\n0.184959 0.815040 0.891137 Zn\n0.659083 0.340916 0.485688 Zn\n0.340916 0.659083 0.514311 Zn\n0.659083 0.340916 0.014311 Zn\n0.340916 0.659083 0.985688 Zn\n0.391688 0.608311 0.250000 Zn\n0.608311 0.391688 0.750000 Zn\n0.553730 0.446269 0.250000 Pb\n0.446269 0.553730 0.750000 Pb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Pr",
"Zn",
"Pb"
],
"chemical_system": "Pb-Pr-Zn",
"density": 7.826812310032864,
"density_atomic": 0.046206551598608314,
"volume": 346.2712417708726,
"volume_molar": 13.033088494276166,
"formula_full": "Pr4 Zn10 Pb2",
"formula_reduced": "Pr2Zn5Pb",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-58393",
"created_at": "2022-09-04T14:37:33.678092Z",
"updated_at": "2022-09-04T14:37:33.678113Z",
"structure_string": "Yb4 Mg2 S8\n1.0\n6.826523 -0.000000 3.941294\n2.275508 6.436107 3.941294\n0.000000 0.000000 7.882590\nYb Mg S\n4 2 8\ndirect\n0.500000 0.500000 0.499999 Yb\n0.500000 -0.000000 0.500000 Yb\n0.000000 0.500000 0.500000 Yb\n0.500000 0.500000 -0.000001 Yb\n0.875000 0.875000 0.874999 Mg\n0.125000 0.125000 0.125000 Mg\n0.252081 0.252081 0.743755 S\n0.747918 0.747919 0.747918 S\n0.747918 0.747919 0.256244 S\n0.252081 0.743755 0.252081 S\n0.252081 0.252081 0.252081 S\n0.256245 0.747919 0.747918 S\n0.747918 0.256245 0.747918 S\n0.743755 0.252081 0.252081 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"Mg",
"S"
],
"chemical_system": "Mg-S-Yb",
"density": 4.781661298927871,
"density_atomic": 0.04042372066924869,
"volume": 346.3313066738595,
"volume_molar": 14.89754198846221,
"formula_full": "Yb4 Mg2 S8",
"formula_reduced": "Yb2MgS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.6330972071428571,
"spacegroup": 227
},
{
"id": "jvasp-86014",
"created_at": "2022-09-04T14:36:20.528861Z",
"updated_at": "2022-09-04T14:36:20.528894Z",
"structure_string": "K2 Eu2 Si2 S8\n1.0\n6.140417 0.000000 -1.971804\n0.000000 6.612869 0.000000\n-0.016940 0.000000 8.534699\nK Eu Si S\n2 2 2 8\ndirect\n0.772367 0.693698 0.065778 K\n0.227633 0.193698 0.934223 K\n0.270653 0.210641 0.448845 Eu\n0.729348 0.710641 0.551156 Eu\n0.282882 0.677881 0.681721 Si\n0.717118 0.177881 0.318279 Si\n0.914360 0.129333 0.567664 S\n0.087218 0.677740 0.839367 S\n0.477582 0.942533 0.272040 S\n0.518768 0.443743 0.288522 S\n0.085641 0.629333 0.432336 S\n0.481232 0.943743 0.711478 S\n0.912783 0.177740 0.160634 S\n0.522418 0.442533 0.727960 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Eu",
"Si",
"S"
],
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"density": 3.331344593507054,
"density_atomic": 0.04042303669741491,
"volume": 346.33716671996865,
"volume_molar": 14.897794060051705,
"formula_full": "K2 Eu2 Si2 S8",
"formula_reduced": "KEuSiS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.6214938,
"spacegroup": 4
},
{
"id": "jvasp-21016",
"created_at": "2022-09-04T14:37:44.758481Z",
"updated_at": "2022-09-04T14:37:44.758508Z",
"structure_string": "Zr6 Sn6 Rh6\n1.0\n3.698163 -6.405406 0.000000\n3.698163 6.405406 -0.000000\n0.000000 0.000000 7.310385\nZr Sn Rh\n6 6 6\ndirect\n0.611637 0.017690 0.250000 Zr\n0.982309 0.593946 0.250000 Zr\n0.406053 0.388363 0.250000 Zr\n0.593946 0.982309 0.750000 Zr\n0.017690 0.611637 0.750000 Zr\n0.388363 0.406053 0.750000 Zr\n0.270617 -0.000000 0.500000 Sn\n-0.000000 0.270617 0.000000 Sn\n0.729383 0.729383 0.000000 Sn\n0.729383 0.729383 0.500000 Sn\n-0.000000 0.270617 0.500000 Sn\n0.270617 -0.000000 0.000000 Sn\n0.333332 0.666667 0.035657 Rh\n0.333332 0.666667 0.464343 Rh\n0.666667 0.333332 0.964344 Rh\n0.666667 0.333332 0.535657 Rh\n0.000000 0.000000 0.250000 Rh\n0.000000 0.000000 0.750000 Rh\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Sn",
"Rh"
],
"chemical_system": "Rh-Sn-Zr",
"density": 8.999512287248633,
"density_atomic": 0.05197201419631145,
"volume": 346.34024250069365,
"volume_molar": 11.587276062176176,
"formula_full": "Zr6 Sn6 Rh6",
"formula_reduced": "ZrSnRh",
"formula_anonymous": "ABC",
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"spacegroup": 190
},
{
"id": "jvasp-86612",
"created_at": "2022-09-04T14:35:49.811470Z",
"updated_at": "2022-09-04T14:35:49.811490Z",
"structure_string": "K2 Eu2 Si2 S8\n1.0\n6.140350 0.000000 -1.971849\n0.000000 6.613007 0.000000\n-0.016881 0.000000 8.535073\nK Eu Si S\n2 2 2 8\ndirect\n0.772428 0.693716 0.065826 K\n0.227572 0.193716 0.934173 K\n0.270637 0.210634 0.448853 Eu\n0.729363 0.710634 0.551147 Eu\n0.282915 0.677881 0.681715 Si\n0.717086 0.177881 0.318284 Si\n0.914347 0.129307 0.567649 S\n0.087257 0.677758 0.839353 S\n0.477559 0.942542 0.272043 S\n0.518731 0.443733 0.288529 S\n0.085653 0.629308 0.432350 S\n0.481270 0.943733 0.711470 S\n0.912743 0.177758 0.160646 S\n0.522441 0.442541 0.727957 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Eu",
"Si",
"S"
],
"chemical_system": "Eu-K-S-Si",
"density": 3.3311580278788546,
"density_atomic": 0.0404207728820024,
"volume": 346.35656376163917,
"volume_molar": 14.898628429446473,
"formula_full": "K2 Eu2 Si2 S8",
"formula_reduced": "KEuSiS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.6214895142857144,
"spacegroup": 4
},
{
"id": "jvasp-19324",
"created_at": "2022-09-04T14:38:35.923498Z",
"updated_at": "2022-09-04T14:38:35.923526Z",
"structure_string": "Mg4 Mn4 F20\n1.0\n0.000000 5.017200 0.019349\n9.470827 0.000000 0.000000\n0.000000 -2.655927 -7.301135\nMg Mn F\n4 4 20\ndirect\n0.525481 0.012728 0.219901 Mg\n0.474519 0.512729 0.280099 Mg\n0.474518 0.987272 0.780098 Mg\n0.525480 0.487272 0.719901 Mg\n0.111822 0.759942 0.372012 Mn\n0.888177 0.259942 0.127987 Mn\n0.888177 0.240059 0.627987 Mn\n0.111822 0.740059 0.872012 Mn\n0.131059 0.102904 0.752938 F\n0.192559 0.139369 0.153487 F\n0.807441 0.639370 0.346512 F\n0.807171 0.158374 0.359489 F\n0.192558 0.360631 0.653487 F\n0.192829 0.658374 0.140511 F\n0.868940 0.602904 0.747061 F\n0.807440 0.860631 0.846512 F\n0.868940 0.897096 0.247061 F\n0.638580 0.110936 0.009778 F\n0.361419 0.889064 0.990222 F\n0.638580 0.389064 0.509777 F\n0.807170 0.341626 0.859488 F\n0.361419 0.610936 0.490222 F\n0.415992 0.619604 0.879599 F\n0.584006 0.119604 0.620400 F\n0.584007 0.380396 0.120400 F\n0.415993 0.880396 0.379599 F\n0.131059 0.397096 0.252939 F\n0.192828 0.841627 0.640511 F\n",
"nsites": 28,
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"elements": [
"Mg",
"Mn",
"F"
],
"chemical_system": "F-Mg-Mn",
"density": 3.3405243262201183,
"density_atomic": 0.08082170900240124,
"volume": 346.4415730081643,
"volume_molar": 7.451142563467792,
"formula_full": "Mg4 Mn4 F20",
"formula_reduced": "MgMnF5",
"formula_anonymous": "ABC5",
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"spacegroup": 14
},
{
"id": "jvasp-78848",
"created_at": "2022-09-04T14:36:35.706956Z",
"updated_at": "2022-09-04T14:36:35.706982Z",
"structure_string": "Ce1 Se2\n1.0\n2.002469 -3.503614 0.107197\n-4.035422 0.023948 0.107197\n0.070798 0.121179 -24.594474\nCe Se\n1 2\ndirect\n0.070132 0.929867 -0.000000 Ce\n0.761744 0.288076 0.069451 Se\n0.711922 0.238253 0.930548 Se\n",
"nsites": 3,
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"elements": [
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"Se"
],
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"density": 1.4285073448909364,
"density_atomic": 0.00865936226892052,
"volume": 346.4458359442192,
"volume_molar": 69.54485299239852,
"formula_full": "Ce1 Se2",
"formula_reduced": "CeSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0437207444444443,
"spacegroup": 42
},
{
"id": "jvasp-11049",
"created_at": "2022-09-04T14:37:05.010327Z",
"updated_at": "2022-09-04T14:37:05.010355Z",
"structure_string": "Mg2 Ti4 S10\n1.0\n0.000000 6.063757 -0.004163\n3.826184 0.000000 0.000000\n0.000000 -0.010660 -14.934026\nMg Ti S\n2 4 10\ndirect\n0.047183 0.500000 0.750007 Mg\n0.952824 0.000000 0.249997 Mg\n0.540721 0.000000 0.898915 Ti\n0.459272 0.500000 0.101084 Ti\n0.459279 0.500000 0.398917 Ti\n0.540729 0.000000 0.601081 Ti\n0.618581 0.500000 0.249998 S\n0.381417 0.000000 0.750001 S\n0.337522 0.500000 0.938255 S\n0.662469 0.000000 0.061745 S\n0.337528 0.500000 0.561740 S\n0.662478 0.000000 0.438259 S\n0.889167 0.000000 0.643765 S\n0.110838 0.500000 0.356237 S\n0.110832 0.500000 0.143759 S\n0.889162 0.000000 0.856241 S\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.6873026750646947,
"density_atomic": 0.04617801138393444,
"volume": 346.4852539225299,
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"formula_full": "Mg2 Ti4 S10",
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"formula_anonymous": "AB2C5",
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"spacegroup": 59
},
{
"id": "jvasp-46717",
"created_at": "2022-09-04T14:38:18.809071Z",
"updated_at": "2022-09-04T14:38:18.809101Z",
"structure_string": "Li2 Mn4 P4 O16\n1.0\n0.000000 8.513021 0.082096\n4.970491 0.000000 0.000000\n0.000000 -5.624257 -8.243491\nLi Mn P O\n2 4 4 16\ndirect\n0.503079 0.569014 0.994655 Li\n0.503079 0.430986 0.494655 Li\n0.494885 0.091642 0.765448 Mn\n0.000557 0.447926 0.230131 Mn\n0.000556 0.552074 0.730131 Mn\n0.494885 0.908358 0.265448 Mn\n0.747409 0.429873 0.364269 P\n0.248515 0.055767 0.885893 P\n0.747409 0.570127 0.864269 P\n0.248515 0.944232 0.385893 P\n0.936533 0.512715 0.391869 O\n0.742327 0.517526 0.512351 O\n0.715144 0.125176 0.333167 O\n0.276404 0.005105 0.049945 O\n0.572651 0.581281 0.213000 O\n0.260206 0.360540 0.852791 O\n0.276403 -0.005105 0.549945 O\n0.572651 0.418719 0.713000 O\n0.742327 0.482473 0.012352 O\n0.057617 0.057874 0.243075 O\n0.422186 0.919007 0.895259 O\n0.936533 0.487285 0.891869 O\n0.260206 0.639460 0.352791 O\n0.715143 0.874824 0.833167 O\n0.057617 0.942126 0.743075 O\n0.422186 0.080993 0.395259 O\n",
"nsites": 26,
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"elements": [
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"Mn",
"P",
"O"
],
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"density": 2.940019916859145,
"density_atomic": 0.07503192030701307,
"volume": 346.5191866823357,
"volume_molar": 8.02610507016055,
"formula_full": "Li2 Mn4 P4 O16",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.091988729442971,
"spacegroup": 7
},
{
"id": "jvasp-14276",
"created_at": "2022-09-04T14:37:05.561470Z",
"updated_at": "2022-09-04T14:37:05.561490Z",
"structure_string": "K6 N2\n1.0\n3.722731 -6.447959 -0.000000\n3.722731 6.447959 -0.000000\n-0.000000 -0.000000 7.218342\nK N\n6 2\ndirect\n0.273124 -0.000000 0.250000 K\n0.726876 -0.000000 0.750000 K\n0.273124 0.273124 0.750000 K\n-0.000000 0.273124 0.250000 K\n0.726876 0.726876 0.250000 K\n-0.000000 0.726876 0.750000 K\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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"elements": [
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],
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"density_atomic": 0.02308546429375071,
"volume": 346.53840608116417,
"volume_molar": 26.086288252085133,
"formula_full": "K6 N2",
"formula_reduced": "K3N",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6787793124999999,
"spacegroup": 193
},
{
"id": "jvasp-16658",
"created_at": "2022-09-04T14:38:30.652295Z",
"updated_at": "2022-09-04T14:38:30.652310Z",
"structure_string": "K6 N2\n1.0\n3.722731 -6.447959 -0.000000\n3.722731 6.447959 0.000000\n0.000000 0.000000 7.218342\nK N\n6 2\ndirect\n0.273124 -0.000000 0.250000 K\n0.726876 -0.000000 0.750000 K\n0.273124 0.273124 0.750000 K\n-0.000000 0.273124 0.250000 K\n0.726876 0.726876 0.250000 K\n-0.000000 0.726876 0.750000 K\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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"volume": 346.53840608116417,
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"formula_full": "K6 N2",
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"spacegroup": 193
}
]
}