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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=903",
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{
"id": "jvasp-117005",
"created_at": "2022-09-04T14:38:48.006232Z",
"updated_at": "2022-09-04T14:38:48.006257Z",
"structure_string": "Sr3 La1 Co2 O8\n1.0\n6.793059 0.009294 0.000000\n-4.677946 4.925704 0.000000\n-0.000000 -0.000000 5.366777\nSr La Co O\n3 1 2 8\ndirect\n0.643213 0.356785 -0.000000 Sr\n0.359490 0.640509 -0.000000 Sr\n0.856518 0.143480 0.500000 Sr\n0.140232 0.859766 0.500000 La\n0.497486 0.502513 0.500000 Co\n0.997279 0.002719 -0.000000 Co\n0.841886 0.158112 -0.000000 O\n0.333999 0.665999 0.500000 O\n0.658266 0.341732 0.500000 O\n0.160254 0.839744 -0.000000 O\n0.755993 0.750310 0.746361 O\n0.249689 0.244005 0.253639 O\n0.249689 0.244005 0.746361 O\n0.755993 0.750310 0.253639 O\n",
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{
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"structure_string": "Sr3 La1\n1.0\n5.562668 0.000000 3.211608\n1.854222 5.244533 3.211608\n-0.000000 -0.000000 6.423215\nSr La\n3 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750001 Sr\n0.500000 0.500000 0.500001 Sr\n0.000000 0.000000 0.000000 La\n",
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{
"id": "jvasp-18841",
"created_at": "2022-09-04T14:35:45.681969Z",
"updated_at": "2022-09-04T14:35:45.681981Z",
"structure_string": "Sr3 In1\n1.0\n5.222009 -0.000000 3.014928\n1.740670 4.923358 3.014928\n0.000000 -0.000000 6.029857\nSr In\n3 1\ndirect\n0.750000 0.750000 0.750001 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 In\n",
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"elements": [
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"density_atomic": 0.025802034170367947,
"volume": 155.02653680668925,
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"formula_full": "Sr3 In1",
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"spacegroup": 225
},
{
"id": "jvasp-12942",
"created_at": "2022-09-04T14:36:56.716563Z",
"updated_at": "2022-09-04T14:36:56.716583Z",
"structure_string": "Sr3 Hg3 O6\n1.0\n1.922505 -3.329878 0.000000\n1.922505 3.329878 -0.000000\n0.000000 -0.000000 19.252298\nSr Hg O\n3 3 6\ndirect\n0.328936 0.000000 0.166667 Sr\n0.000000 0.328936 0.833333 Sr\n0.671066 0.671066 0.500000 Sr\n0.664482 0.664482 0.000000 Hg\n0.000000 0.335520 0.333333 Hg\n0.335520 0.000000 0.666667 Hg\n0.666765 0.662169 0.896427 O\n0.337833 0.004597 0.563093 O\n0.995406 0.333238 0.229760 O\n0.004597 0.337833 0.436907 O\n0.662169 0.666765 0.103573 O\n0.333238 0.995406 0.770240 O\n",
"nsites": 12,
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"elements": [
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"density": 6.471355290415937,
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"volume": 246.49514576486678,
"volume_molar": 12.370237203772879,
"formula_full": "Sr3 Hg3 O6",
"formula_reduced": "SrHgO2",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-34507",
"created_at": "2022-09-04T14:37:18.135450Z",
"updated_at": "2022-09-04T14:37:18.135472Z",
"structure_string": "Sr3 Ge3 O9\n1.0\n3.468107 -6.006938 -0.000000\n3.468107 6.006938 0.000000\n-0.000000 0.000000 5.806321\nSr Ge O\n3 3 9\ndirect\n0.666387 0.000000 0.500000 Sr\n0.333613 0.333613 0.500000 Sr\n0.000000 0.666387 0.500000 Sr\n0.000000 0.273610 0.000000 Ge\n0.726391 0.726391 0.000000 Ge\n0.273610 0.000000 0.000000 Ge\n0.000000 0.751284 0.000000 O\n0.000000 0.362623 0.281000 O\n0.637377 0.637377 0.719000 O\n0.637377 0.637377 0.281000 O\n0.362623 0.000000 0.719000 O\n0.751284 0.000000 0.000000 O\n0.000000 0.362623 0.719000 O\n0.362623 0.000000 0.281000 O\n0.248717 0.248717 0.000000 O\n",
"nsites": 15,
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"elements": [
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"chemical_system": "Ge-O-Sr",
"density": 4.288404938126951,
"density_atomic": 0.062003268496040716,
"volume": 241.92273026635428,
"volume_molar": 9.71261823138332,
"formula_full": "Sr3 Ge3 O9",
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"formula_anonymous": "ABC3",
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{
"id": "jvasp-35199",
"created_at": "2022-09-04T14:38:13.200983Z",
"updated_at": "2022-09-04T14:38:13.200995Z",
"structure_string": "Sr3 Ge2 B6 O16\n1.0\n-5.037072 0.012261 -0.002423\n-0.043006 -7.355251 -0.035900\n1.893656 1.958266 8.097154\nSr Ge B O\n3 2 6 16\ndirect\n0.096795 0.094724 0.741665 Sr\n0.903205 0.905275 0.258335 Sr\n-0.000000 0.500000 0.500000 Sr\n0.700652 0.313062 0.052289 Ge\n0.299348 0.686938 0.947711 Ge\n0.730371 0.760076 0.804771 B\n0.269629 0.239923 0.195229 B\n0.539636 0.409915 0.739546 B\n0.540967 0.186796 0.459396 B\n0.459033 0.813204 0.540603 B\n0.460363 0.590085 0.260453 B\n0.264025 0.682431 0.147852 O\n0.029728 0.810468 0.858135 O\n0.970272 0.189531 0.141865 O\n0.669542 0.566654 0.704390 O\n0.330458 0.433346 0.295610 O\n0.735975 0.317568 0.852148 O\n0.293064 0.462851 0.809325 O\n0.186075 0.822180 0.512658 O\n0.410549 0.271413 0.583975 O\n0.589451 0.728586 0.416025 O\n0.813925 0.177820 0.487342 O\n0.382467 0.202712 0.044178 O\n0.376770 0.108814 0.301190 O\n0.623229 0.891186 0.698810 O\n0.706936 0.537148 0.190675 O\n0.617533 0.797287 0.955822 O\n",
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"B",
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],
"chemical_system": "B-Ge-O-Sr",
"density": 4.040387500130452,
"density_atomic": 0.09011815709882015,
"volume": 299.60665940375173,
"volume_molar": 6.682494353936188,
"formula_full": "Sr3 Ge2 B6 O16",
"formula_reduced": "Sr3Ge2(B3O8)2",
"formula_anonymous": "A2B3C6D16",
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"spacegroup": 2
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{
"id": "jvasp-97343",
"created_at": "2022-09-04T14:35:58.165823Z",
"updated_at": "2022-09-04T14:35:58.165843Z",
"structure_string": "Sr3 Fe2 O7\n1.0\n3.760875 0.000000 -0.708313\n-0.133402 3.758508 -0.708313\n0.007799 0.008081 10.379980\nSr Fe O\n3 2 7\ndirect\n0.682828 0.682827 0.365656 Sr\n0.317172 0.317172 0.634345 Sr\n0.500000 0.500001 0.000000 Sr\n0.904164 0.904165 0.808329 Fe\n0.095836 0.095836 0.191672 Fe\n0.000000 0.000000 0.000000 O\n0.807826 0.807828 0.615655 O\n0.192172 0.192173 0.384346 O\n0.904849 0.404849 0.809700 O\n0.404850 0.904851 0.809700 O\n0.595150 0.095150 0.190301 O\n0.095152 0.595152 0.190301 O\n",
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"elements": [
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"density": 5.504837651970536,
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"volume": 146.76696383606165,
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"formula_full": "Sr3 Fe2 O7",
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"formula_anonymous": "A2B3C7",
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"spacegroup": 139
},
{
"id": "jvasp-11814",
"created_at": "2022-09-04T14:37:31.601066Z",
"updated_at": "2022-09-04T14:37:31.601094Z",
"structure_string": "Sr3 Fe2 O5\n1.0\n3.505572 0.000013 -0.578967\n-0.117338 3.810434 -0.710638\n-0.060309 -0.010035 10.538284\nSr Fe O\n3 2 5\ndirect\n0.314660 0.314656 0.629286 Sr\n0.685339 0.685343 0.370713 Sr\n0.500000 0.499999 -0.000000 Sr\n0.094819 0.094825 0.189674 Fe\n0.905181 0.905174 0.810325 Fe\n0.190339 0.190348 0.380725 O\n0.809661 0.809651 0.619273 O\n0.094721 0.594727 0.189478 O\n0.905278 0.405273 0.810520 O\n0.000000 0.000001 0.999999 O\n",
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"density": 5.368025798573165,
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"volume": 140.609058046341,
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"formula_full": "Sr3 Fe2 O5",
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"formula_anonymous": "A2B3C5",
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"spacegroup": 71
},
{
"id": "jvasp-57304",
"created_at": "2022-09-04T14:36:38.635921Z",
"updated_at": "2022-09-04T14:36:38.635949Z",
"structure_string": "Sr3 Fe2 Cu2 Se2 O5\n1.0\n3.894940 0.000000 -0.558208\n-0.080000 3.894117 -0.558208\n0.005939 0.006063 13.909169\nSr Fe Cu Se O\n3 2 2 2 5\ndirect\n0.364867 0.364866 0.729733 Sr\n0.500000 0.500000 -0.000000 Sr\n0.635134 0.635134 0.270267 Sr\n0.930240 0.930239 0.860479 Fe\n0.069760 0.069760 0.139521 Fe\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.807873 0.807873 0.615747 Se\n0.192127 0.192127 0.384253 Se\n0.576774 0.076773 0.153546 O\n0.000000 0.000000 0.000000 O\n0.923227 0.423226 0.846454 O\n0.076774 0.576774 0.153546 O\n0.423227 0.923226 0.846454 O\n",
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"density": 5.820451910570458,
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"formula_full": "Sr3 Fe2 Cu2 Se2 O5",
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"updated_at": "2022-09-04T14:38:31.182031Z",
"structure_string": "Sr3 Fe2 Cu2 S2 O5\n1.0\n3.891184 -0.000000 -0.000000\n-0.000000 3.891184 -0.000000\n-1.945592 -1.945592 13.247603\nSr Fe Cu S O\n3 2 2 2 5\ndirect\n0.499999 0.499999 0.000000 Sr\n0.640332 0.640332 0.280665 Sr\n0.359668 0.359668 0.719335 Sr\n0.072050 0.072050 0.144100 Fe\n0.927949 0.927949 0.855900 Fe\n0.250000 0.749999 0.500000 Cu\n0.749999 0.250000 0.500000 Cu\n0.195392 0.195392 0.390783 S\n0.804608 0.804608 0.609217 S\n0.079372 0.579372 0.158745 O\n0.579372 0.079372 0.158745 O\n0.920627 0.420627 0.841255 O\n0.420627 0.920627 0.841255 O\n0.000000 0.000000 0.000000 O\n",
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"density_atomic": 0.06979546352604944,
"volume": 200.5861024875183,
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"formula_full": "Sr3 Fe2 Cu2 S2 O5",
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{
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"created_at": "2022-09-04T14:37:15.258979Z",
"updated_at": "2022-09-04T14:37:15.259016Z",
"structure_string": "Sr3 Fe2 Cl2 O5\n1.0\n3.864390 -0.000090 -0.631805\n-0.103391 3.863005 -0.631803\n0.023376 0.024014 12.276467\nSr Fe Cl O\n3 2 2 5\ndirect\n0.655793 0.655790 0.311600 Sr\n0.344209 0.344207 0.688401 Sr\n0.499998 0.499999 0.000000 Sr\n0.920663 0.920661 0.841318 Fe\n0.079338 0.079337 0.158683 Fe\n0.205079 0.205077 0.410172 Cl\n0.794924 0.794921 0.589829 Cl\n0.912275 0.412272 0.824536 O\n0.412274 0.912272 0.824536 O\n0.087728 0.587726 0.175465 O\n0.000000 0.000000 0.000000 O\n0.587728 0.087727 0.175465 O\n",
"nsites": 12,
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"elements": [
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],
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{
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"created_at": "2022-09-04T14:38:12.321566Z",
"updated_at": "2022-09-04T14:38:12.321585Z",
"structure_string": "Sr3 Cu6 Ge3 S12\n1.0\n3.087702 -5.348056 -0.000000\n3.087702 5.348056 0.000000\n-0.000000 0.000000 15.317464\nSr Cu Ge S\n3 6 3 12\ndirect\n0.778903 0.666658 0.917134 Sr\n0.333342 0.112245 0.583802 Sr\n0.887755 0.221096 0.250468 Sr\n0.674624 0.592184 0.162008 Cu\n0.258923 0.007986 0.338908 Cu\n0.749063 0.741076 0.672242 Cu\n0.407816 0.082440 0.828675 Cu\n0.917559 0.325375 0.495341 Cu\n0.992014 0.250936 0.005575 Cu\n0.333319 0.954037 0.083795 Ge\n0.620717 0.666680 0.417128 Ge\n0.045963 0.379282 0.750461 Ge\n0.828616 0.633069 0.532461 S\n0.097237 0.768164 0.748133 S\n0.231836 0.329073 0.414800 S\n0.670926 0.902762 0.081467 S\n0.434837 0.430572 0.752801 S\n0.569427 0.004264 0.419467 S\n0.995735 0.565162 0.086134 S\n0.299699 0.161921 0.968459 S\n0.838079 0.137778 0.635126 S\n0.366930 0.195546 0.199127 S\n0.804453 0.171383 0.865794 S\n0.862221 0.700300 0.301793 S\n",
"nsites": 24,
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"elements": [
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],
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"volume": 505.88079130537216,
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"formula_full": "Sr3 Cu6 Ge3 S12",
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}
]
}