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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4208",
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"results": [
{
"id": "jvasp-42199",
"created_at": "2022-09-04T14:36:50.420184Z",
"updated_at": "2022-09-04T14:36:50.420202Z",
"structure_string": "Fe6 O10 F2\n1.0\n-4.421541 4.421541 2.889052\n-0.065159 4.353211 -2.887445\n-4.353211 0.065159 -2.887445\nFe O F\n6 10 2\ndirect\n0.817110 0.659498 0.659498 Fe\n0.666666 0.333333 0.333333 Fe\n0.342175 0.654375 0.654375 Fe\n0.166667 0.333333 0.333333 Fe\n0.516223 0.007170 0.007170 Fe\n0.991156 0.012292 0.012292 Fe\n-0.003432 0.695074 0.302461 O\n-0.003432 0.302461 0.695074 O\n0.666666 0.639743 0.026924 O\n0.336764 0.971594 0.364206 O\n0.705204 0.106142 0.106142 O\n0.961738 0.232243 0.232243 O\n0.628127 0.560525 0.560525 O\n0.336764 0.364206 0.971594 O\n0.666666 0.026924 0.639743 O\n0.371594 0.434424 0.434424 O\n0.300027 0.901070 0.901070 F\n0.033304 0.765599 0.765599 F\n",
"nsites": 18,
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"elements": [
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"O",
"F"
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"density": 5.389897241080857,
"density_atomic": 0.10960418601523153,
"volume": 164.22730421535695,
"volume_molar": 5.494444125667894,
"formula_full": "Fe6 O10 F2",
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"formula_anonymous": "AB3C5",
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"spacegroup": 12
},
{
"id": "jvasp-13061",
"created_at": "2022-09-04T14:36:50.586321Z",
"updated_at": "2022-09-04T14:36:50.586340Z",
"structure_string": "Bi6 Se8 Br2\n1.0\n4.116838 -0.000000 -0.000000\n-2.058418 9.426982 -4.425897\n-0.000000 0.014800 12.142934\nBi Se Br\n6 8 2\ndirect\n0.089751 0.179502 0.965991 Bi\n0.910249 0.820498 0.034009 Bi\n0.673508 0.347015 0.738315 Bi\n0.326492 0.652984 0.261684 Bi\n0.148512 0.297026 0.410324 Bi\n0.851488 0.702974 0.589675 Bi\n0.417876 0.835753 0.511174 Se\n0.582124 0.164247 0.488825 Se\n0.689721 0.379442 0.023511 Se\n0.310279 0.620558 0.976489 Se\n0.074745 0.149491 0.726625 Se\n0.925255 0.850509 0.273374 Se\n0.254307 0.508614 0.643819 Se\n0.745693 0.491386 0.356180 Se\n0.455149 0.910298 0.834834 Br\n0.544851 0.089702 0.165166 Br\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Bi",
"Se",
"Br"
],
"chemical_system": "Bi-Br-Se",
"density": 7.202985345129584,
"density_atomic": 0.0339321555885059,
"volume": 471.5291357858739,
"volume_molar": 17.747592675898034,
"formula_full": "Bi6 Se8 Br2",
"formula_reduced": "Bi3Se4Br",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.1346175589583332,
"spacegroup": 12
},
{
"id": "jvasp-102631",
"created_at": "2022-09-04T14:36:51.131485Z",
"updated_at": "2022-09-04T14:36:51.131508Z",
"structure_string": "Rh2 I6\n1.0\n6.770421 0.008168 1.049643\n-3.636095 5.711171 1.049643\n0.002604 0.004751 6.844841\nRh I\n2 6\ndirect\n0.833409 0.166592 -0.000000 Rh\n0.166592 0.833408 -0.000000 Rh\n0.429099 0.077508 0.232617 I\n0.570901 0.922492 0.767383 I\n0.922492 0.570901 0.767383 I\n0.077508 0.429099 0.232617 I\n0.779931 0.779930 0.235567 I\n0.220070 0.220070 0.764432 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rh",
"I"
],
"chemical_system": "I-Rh",
"density": 6.06534318567314,
"density_atomic": 0.030210853776956897,
"volume": 264.8054920613313,
"volume_molar": 19.933699340179995,
"formula_full": "Rh2 I6",
"formula_reduced": "RhI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.40981795625,
"spacegroup": 12
},
{
"id": "jvasp-8744",
"created_at": "2022-09-04T14:36:50.577618Z",
"updated_at": "2022-09-04T14:36:50.577639Z",
"structure_string": "U1 Sb2 O6\n1.0\n3.825931 -0.000000 -1.135414\n-0.368332 5.022352 -1.241146\n0.003262 -0.049909 7.024694\nU Sb O\n1 2 6\ndirect\n0.500000 0.500000 -0.000000 U\n0.809812 0.767490 0.619623 Sb\n0.190188 0.232510 0.380376 Sb\n0.410440 0.159613 0.820880 O\n0.589560 0.840386 0.179119 O\n0.693440 0.405264 0.386880 O\n0.064239 0.367429 0.128477 O\n0.935761 0.632570 0.871522 O\n0.306559 0.594736 0.613119 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"U",
"Sb",
"O"
],
"chemical_system": "O-Sb-U",
"density": 7.117606554750125,
"density_atomic": 0.06679459609088483,
"volume": 134.74143907920407,
"volume_molar": 9.015910137110353,
"formula_full": "U1 Sb2 O6",
"formula_reduced": "U(SbO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.8574210222222223,
"spacegroup": 12
},
{
"id": "jvasp-103552",
"created_at": "2022-09-04T14:36:50.726860Z",
"updated_at": "2022-09-04T14:36:50.726886Z",
"structure_string": "Li1 Ag1 F4\n1.0\n4.609476 -0.027403 0.502753\n0.206989 4.604908 0.502753\n-0.012927 -0.012286 3.525593\nLi Ag F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.499999 Ag\n0.710202 0.710202 0.056506 F\n0.195073 0.804927 0.499999 F\n0.804927 0.195073 0.499999 F\n0.289798 0.289798 0.943491 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 4.2294201432709455,
"density_atomic": 0.08009367284786363,
"volume": 74.91228441223919,
"volume_molar": 7.518872023060971,
"formula_full": "Li1 Ag1 F4",
"formula_reduced": "LiAgF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0012866666666666,
"spacegroup": 12
},
{
"id": "jvasp-12958",
"created_at": "2022-09-04T14:36:50.743663Z",
"updated_at": "2022-09-04T14:36:50.743674Z",
"structure_string": "Rb1 Cr5 Se8\n1.0\n3.620045 0.000000 -0.699974\n-0.433432 8.758608 -2.241573\n-0.017919 0.015551 9.618175\nRb Cr Se\n1 5 8\ndirect\n0.500001 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Cr\n0.296016 0.664538 0.592030 Cr\n0.658289 0.977396 0.316575 Cr\n0.341713 0.022603 0.683426 Cr\n0.703986 0.335462 0.407971 Cr\n0.238233 0.157248 0.476466 Se\n0.425181 0.844462 0.850361 Se\n0.574821 0.155538 0.149640 Se\n0.913249 0.173889 0.826498 Se\n0.086752 0.826111 0.173504 Se\n0.829955 0.508194 0.659908 Se\n0.170047 0.491806 0.340094 Se\n0.761769 0.842752 0.523536 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Cr",
"Se"
],
"chemical_system": "Cr-Rb-Se",
"density": 5.3202124956815,
"density_atomic": 0.04590461247151235,
"volume": 304.9802459107605,
"volume_molar": 13.118814070671531,
"formula_full": "Rb1 Cr5 Se8",
"formula_reduced": "RbCr5Se8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 2.9677824238095245,
"spacegroup": 12
},
{
"id": "jvasp-103744",
"created_at": "2022-09-04T14:36:50.988994Z",
"updated_at": "2022-09-04T14:36:50.989017Z",
"structure_string": "Co1 H4 Cl2 O2\n1.0\n3.531260 0.081773 -0.356808\n-0.661240 5.403090 -0.789693\n0.100765 -0.062569 5.499106\nCo H Cl O\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.837126 0.220078 0.602598 H\n0.162876 0.397404 0.779923 H\n0.837124 0.602596 0.220079 H\n0.162876 0.779921 0.397404 H\n0.559316 0.240844 0.240844 Cl\n0.440684 0.759154 0.759155 Cl\n1.000000 0.760369 0.239630 O\n1.000001 0.239628 0.760372 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Co",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-Co-H-O",
"density": 2.617757510174725,
"density_atomic": 0.08553731683356308,
"volume": 105.21723539109875,
"volume_molar": 7.040366687813893,
"formula_full": "Co1 H4 Cl2 O2",
"formula_reduced": "CoH4(ClO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.3487840038888885,
"spacegroup": 12
},
{
"id": "jvasp-4131",
"created_at": "2022-09-04T14:36:51.050076Z",
"updated_at": "2022-09-04T14:36:51.050102Z",
"structure_string": "Tb4 Se3 N2\n1.0\n3.822286 0.000000 0.956313\n1.902523 6.668692 0.512608\n-0.012568 0.008813 8.167030\nTb Se N\n4 3 2\ndirect\n0.440951 0.267609 0.850490 Tb\n0.559049 0.732390 0.149510 Tb\n0.755380 0.128910 0.360332 Tb\n0.244620 0.871090 0.639668 Tb\n0.835744 0.558629 0.769881 Se\n0.000000 0.000000 0.000000 Se\n0.164256 0.441370 0.230119 Se\n0.351703 0.935074 0.361519 N\n0.648297 0.064925 0.638482 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tb",
"Se",
"N"
],
"chemical_system": "N-Se-Tb",
"density": 7.1810166847616195,
"density_atomic": 0.04321653196469581,
"volume": 208.25363792153024,
"volume_molar": 13.93480801495032,
"formula_full": "Tb4 Se3 N2",
"formula_reduced": "Tb4Se3N2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.4402878,
"spacegroup": 12
},
{
"id": "jvasp-8132",
"created_at": "2022-09-04T14:36:51.353320Z",
"updated_at": "2022-09-04T14:36:51.353342Z",
"structure_string": "Nb2 As4\n1.0\n3.334778 0.000000 0.827044\n1.525445 4.707822 0.985864\n0.001784 -0.000214 7.129512\nNb As\n2 4\ndirect\n0.157424 0.881330 0.803821 Nb\n0.842576 0.118671 0.196177 Nb\n0.859145 0.752591 0.529120 As\n0.140856 0.247409 0.470879 As\n0.593980 0.704426 0.107616 As\n0.406021 0.295575 0.892382 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"As"
],
"chemical_system": "As-Nb",
"density": 7.203044270946899,
"density_atomic": 0.053608018413639554,
"volume": 111.92355504924637,
"volume_molar": 11.233656714436174,
"formula_full": "Nb2 As4",
"formula_reduced": "NbAs2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8271476333333334,
"spacegroup": 12
},
{
"id": "jvasp-102776",
"created_at": "2022-09-04T14:36:51.514232Z",
"updated_at": "2022-09-04T14:36:51.514250Z",
"structure_string": "Cr6 C3 N1\n1.0\n4.815312 0.004652 0.103602\n4.001284 2.678988 0.103602\n0.070834 0.021561 6.906578\nCr C N\n6 3 1\ndirect\n0.598187 0.598188 0.241202 Cr\n0.401811 0.401811 0.758797 Cr\n0.858987 0.858988 0.437723 Cr\n0.141011 0.141011 0.562277 Cr\n0.851784 0.851785 0.080315 Cr\n0.148214 0.148215 0.919685 Cr\n0.499999 0.500000 0.500000 C\n0.247155 0.247155 0.261925 C\n0.752843 0.752845 0.738074 C\n0.499999 0.500000 -0.000000 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"C",
"N"
],
"chemical_system": "C-Cr-N",
"density": 6.758492266005466,
"density_atomic": 0.11242779109762052,
"volume": 88.94597948043867,
"volume_molar": 5.356452084672734,
"formula_full": "Cr6 C3 N1",
"formula_reduced": "Cr6C3N",
"formula_anonymous": "AB3C6",
"energy_above_hull": 6.202997765,
"spacegroup": 12
},
{
"id": "jvasp-9995",
"created_at": "2022-09-04T14:36:51.612018Z",
"updated_at": "2022-09-04T14:36:51.612037Z",
"structure_string": "Ba2 Na2 B2 O6\n1.0\n5.528362 0.002760 0.755211\n2.684356 4.832911 0.755211\n0.013624 0.008022 6.169039\nBa Na B O\n2 2 2 6\ndirect\n0.833867 0.833866 0.242816 Ba\n0.166133 0.166133 0.757184 Ba\n0.500000 0.500000 0.500000 Na\n0.500000 0.500000 -0.000000 Na\n0.832006 0.832006 0.751375 B\n0.167994 0.167994 0.248625 B\n0.888635 0.316331 0.210560 O\n0.683668 0.111364 0.789440 O\n0.111365 0.683668 0.789440 O\n0.316332 0.888635 0.210560 O\n0.701687 0.701687 0.680635 O\n0.298313 0.298313 0.319365 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"B",
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],
"chemical_system": "B-Ba-Na-O",
"density": 4.418216895035157,
"density_atomic": 0.07285432433243373,
"volume": 164.71225435080683,
"volume_molar": 8.266003171645679,
"formula_full": "Ba2 Na2 B2 O6",
"formula_reduced": "BaNaBO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.5351596755555552,
"spacegroup": 12
},
{
"id": "jvasp-82065",
"created_at": "2022-09-04T14:36:51.560967Z",
"updated_at": "2022-09-04T14:36:51.560998Z",
"structure_string": "Li1 Cd1 Hg2\n1.0\n-11.850093 2.648331 -2.516947\n-8.367555 1.565350 1.005845\n-7.420513 4.243989 -0.634479\nLi Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000001 -0.000000 Cd\n0.691947 0.040572 0.040572 Hg\n0.308055 0.959424 0.959428 Hg\n",
"nsites": 4,
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"elements": [
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],
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"density": 9.747741436799654,
"density_atomic": 0.04510944268154766,
"volume": 88.67323030874485,
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"formula_full": "Li1 Cd1 Hg2",
"formula_reduced": "LiCdHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 12
}
]
}