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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=898",
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"results": [
{
"id": "jvasp-103740",
"created_at": "2022-09-04T14:36:49.441063Z",
"updated_at": "2022-09-04T14:36:49.441072Z",
"structure_string": "Sr1 Mn2 Bi1 O6\n1.0\n4.760720 0.124030 2.698494\n-1.685341 4.405913 2.775118\n0.027852 -0.057678 5.506910\nSr Mn Bi O\n1 2 1 6\ndirect\n0.028695 0.028707 0.942609 Sr\n0.782613 0.282608 0.434798 Mn\n0.282597 0.782619 0.434821 Mn\n0.488909 0.488959 0.022189 Bi\n0.042141 0.542115 0.915700 O\n0.542098 0.042054 0.915729 O\n0.541759 0.541754 0.396258 O\n0.061998 0.061989 0.396286 O\n0.061807 0.541787 0.396405 O\n0.541810 0.061832 0.396348 O\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.08520566507981912,
"volume": 117.36308836545295,
"volume_molar": 7.067770381650758,
"formula_full": "Sr1 Mn2 Bi1 O6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 107
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{
"id": "jvasp-111341",
"created_at": "2022-09-04T14:38:49.811794Z",
"updated_at": "2022-09-04T14:38:49.811822Z",
"structure_string": "Sr1 Mn2 Bi1 O6\n1.0\n5.508288 -0.000043 -0.069223\n-2.754362 3.869422 2.788870\n-0.000634 0.000043 5.508723\nSr Mn Bi O\n1 2 1 6\ndirect\n0.028639 0.000002 0.971361 Sr\n0.782428 0.500009 0.717577 Mn\n0.282424 0.500009 0.217572 Mn\n0.488822 0.000022 0.511179 Bi\n0.541892 0.000000 0.938007 O\n0.061993 0.000001 0.458108 O\n0.541855 0.479894 0.458145 O\n0.061979 0.520124 0.938022 O\n0.542210 0.499968 0.957809 O\n0.042191 0.499968 0.457790 O\n",
"nsites": 10,
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"volume": 117.4108457560555,
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"formula_full": "Sr1 Mn2 Bi1 O6",
"formula_reduced": "SrMn2BiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.580659609275862,
"spacegroup": 107
},
{
"id": "jvasp-40281",
"created_at": "2022-09-04T14:37:47.373263Z",
"updated_at": "2022-09-04T14:37:47.373283Z",
"structure_string": "Sr1 Mg1 Tl2\n1.0\n-0.000000 3.849278 3.849278\n3.849278 -0.000000 3.849278\n3.849278 3.849278 0.000000\nSr Mg Tl\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Sr\n0.250001 0.250001 0.250001 Mg\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Tl"
],
"chemical_system": "Mg-Sr-Tl",
"density": 7.579871455851567,
"density_atomic": 0.03506647917163934,
"volume": 114.06905097090767,
"volume_molar": 17.173497032660517,
"formula_full": "Sr1 Mg1 Tl2",
"formula_reduced": "SrMgTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-39511",
"created_at": "2022-09-04T14:37:48.784360Z",
"updated_at": "2022-09-04T14:37:48.784380Z",
"structure_string": "Sr1 Mg1 Sn1\n1.0\n4.636914 0.000000 2.677123\n1.545637 4.371725 2.677123\n-0.000000 0.000000 5.354246\nSr Mg Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.499999 0.500000 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Mg",
"Sn"
],
"chemical_system": "Mg-Sn-Sr",
"density": 3.528532439676538,
"density_atomic": 0.027640192124311097,
"volume": 108.53759577746683,
"volume_molar": 21.78762265079623,
"formula_full": "Sr1 Mg1 Sn1",
"formula_reduced": "SrMgSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.23226,
"spacegroup": 216
},
{
"id": "jvasp-30910",
"created_at": "2022-09-04T14:38:35.990382Z",
"updated_at": "2022-09-04T14:38:35.990403Z",
"structure_string": "Sr4 Mg4 Sn4\n1.0\n4.874607 0.000000 0.000000\n0.000000 8.165110 0.000000\n0.000000 0.000000 8.860021\nSr Mg Sn\n4 4 4\ndirect\n0.750000 0.988594 0.810388 Sr\n0.250000 0.511407 0.310388 Sr\n0.250000 0.011406 0.189612 Sr\n0.750000 0.488594 0.689612 Sr\n0.750000 0.350352 0.068420 Mg\n0.250000 0.649648 0.931580 Mg\n0.750000 0.850352 0.431580 Mg\n0.250000 0.149648 0.568420 Mg\n0.250000 0.777334 0.606991 Sn\n0.250000 0.277334 0.893009 Sn\n0.750000 0.722666 0.106991 Sn\n0.750000 0.222666 0.393009 Sn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn-Sr",
"density": 4.344080895775381,
"density_atomic": 0.034028659964307414,
"volume": 352.64391876103184,
"volume_molar": 17.697260974474485,
"formula_full": "Sr4 Mg4 Sn4",
"formula_reduced": "SrMgSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-11396",
"created_at": "2022-09-04T14:38:34.536480Z",
"updated_at": "2022-09-04T14:38:34.536516Z",
"structure_string": "Sr4 Mg4 Si4\n1.0\n4.597113 0.000000 0.000000\n0.000000 7.802468 0.000000\n0.000000 0.000000 8.481038\nSr Mg Si\n4 4 4\ndirect\n0.250000 0.014401 0.184141 Sr\n0.250000 0.514401 0.315859 Sr\n0.749999 0.485599 0.684141 Sr\n0.749999 0.985599 0.815859 Sr\n0.749999 0.355198 0.065163 Mg\n0.250000 0.644802 0.934837 Mg\n0.749999 0.855198 0.434837 Mg\n0.250000 0.144802 0.565163 Mg\n0.749999 0.218843 0.391249 Si\n0.250000 0.281157 0.891249 Si\n0.250000 0.781158 0.608752 Si\n0.749999 0.718843 0.108752 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Si"
],
"chemical_system": "Mg-Si-Sr",
"density": 3.05705682076497,
"density_atomic": 0.03944709823690406,
"volume": 304.2048854375201,
"volume_molar": 15.266371999870168,
"formula_full": "Sr4 Mg4 Si4",
"formula_reduced": "SrMgSi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5156258083333332,
"spacegroup": 62
},
{
"id": "jvasp-39495",
"created_at": "2022-09-04T14:37:51.741866Z",
"updated_at": "2022-09-04T14:37:51.741882Z",
"structure_string": "Sr1 Mg1 Si1\n1.0\n4.428070 0.000000 2.556547\n1.476023 4.174824 2.556547\n0.000000 0.000000 5.113093\nSr Mg Si\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500001 Si\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Mg",
"Si"
],
"chemical_system": "Mg-Si-Sr",
"density": 2.459650283264216,
"density_atomic": 0.03173839154486945,
"volume": 94.52274844359444,
"volume_molar": 18.974309871646554,
"formula_full": "Sr1 Mg1 Si1",
"formula_reduced": "SrMgSi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8001124749999999,
"spacegroup": 216
},
{
"id": "jvasp-118730",
"created_at": "2022-09-04T14:38:50.291333Z",
"updated_at": "2022-09-04T14:38:50.291358Z",
"structure_string": "Sr1 Mg1 Si1\n1.0\n5.374925 -0.000000 0.000000\n-2.687463 4.654822 -0.000000\n0.000000 -0.000000 3.516312\nSr Mg Si\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Sr\n0.000000 0.000000 0.000000 Mg\n0.333334 0.666667 0.000000 Si\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Mg",
"Si"
],
"chemical_system": "Mg-Si-Sr",
"density": 2.642693608645798,
"density_atomic": 0.034100312981491646,
"volume": 87.97573211800977,
"volume_molar": 17.660074742623593,
"formula_full": "Sr1 Mg1 Si1",
"formula_reduced": "SrMgSi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7762724749999999,
"spacegroup": 187
},
{
"id": "jvasp-2997",
"created_at": "2022-09-04T14:36:57.038322Z",
"updated_at": "2022-09-04T14:36:57.038354Z",
"structure_string": "Sr1 Mg2 Sb2\n1.0\n2.363196 -4.093175 0.000000\n2.363196 4.093175 0.000000\n0.000000 0.000000 7.834092\nSr Mg Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666668 0.333334 0.371677 Mg\n0.333334 0.666668 0.628322 Mg\n0.333334 0.666668 0.255519 Sb\n0.666668 0.333334 0.744481 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Mg",
"Sb"
],
"chemical_system": "Mg-Sb-Sr",
"density": 4.160716844982006,
"density_atomic": 0.03299068138465267,
"volume": 151.55794879477722,
"volume_molar": 18.254066018780414,
"formula_full": "Sr1 Mg2 Sb2",
"formula_reduced": "Sr(MgSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0354293219999998,
"spacegroup": 164
},
{
"id": "jvasp-95284",
"created_at": "2022-09-04T14:36:00.437065Z",
"updated_at": "2022-09-04T14:36:00.437094Z",
"structure_string": "Sr4 Mg4 P12 N20 O8\n1.0\n6.143602 0.000000 -3.312996\n0.000000 6.656926 0.000000\n-0.007196 0.000000 13.948888\nSr Mg P N O\n4 4 12 20 8\ndirect\n0.482291 0.250972 0.604175 Sr\n0.517708 0.750972 0.895825 Sr\n0.517708 0.749029 0.395825 Sr\n0.482291 0.249029 0.104175 Sr\n0.020535 0.493106 0.885133 Mg\n0.979464 0.993107 0.614867 Mg\n0.979464 0.506894 0.114867 Mg\n0.020535 0.006894 0.385133 Mg\n0.276315 0.259812 0.289098 P\n0.723684 0.759812 0.210902 P\n0.723684 0.740189 0.710902 P\n0.276315 0.240189 0.789098 P\n0.259893 0.776176 0.089784 P\n0.740106 0.276176 0.410216 P\n0.259893 0.723825 0.589784 P\n0.064859 0.517234 0.380750 P\n0.935140 0.017233 0.119249 P\n0.935140 0.482767 0.619249 P\n0.064859 0.982767 0.880750 P\n0.740106 0.223825 0.910216 P\n0.178412 0.477110 0.303221 N\n0.728263 0.080855 0.001693 N\n0.271736 0.580855 0.498306 N\n0.271736 0.919146 0.998306 N\n0.728263 0.419146 0.501693 N\n0.513753 0.298401 0.297287 N\n0.486247 0.798401 0.202713 N\n0.486246 0.701600 0.702713 N\n0.513752 0.201599 0.797287 N\n0.821587 0.977110 0.196779 N\n0.052613 0.811463 0.111379 N\n0.178412 0.022891 0.803221 N\n0.821587 0.522891 0.696779 N\n0.947386 0.188537 0.888621 N\n0.947386 0.311463 0.388621 N\n0.052613 0.688538 0.611379 N\n0.893885 0.794772 0.838803 N\n0.893886 0.705229 0.338803 N\n0.106114 0.205228 0.161197 N\n0.106113 0.294772 0.661197 N\n0.711196 0.592168 0.129088 O\n0.221119 0.949595 0.550173 O\n0.778879 0.449595 0.949827 O\n0.778880 0.050406 0.449827 O\n0.221120 0.550406 0.050173 O\n0.288803 0.407833 0.870911 O\n0.711195 0.907833 0.629088 O\n0.288804 0.092168 0.370911 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
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"Mg",
"P",
"N",
"O"
],
"chemical_system": "Mg-N-O-P-Sr",
"density": 3.57404584528189,
"density_atomic": 0.08416386734948819,
"volume": 570.3159979647952,
"volume_molar": 7.155256702966398,
"formula_full": "Sr4 Mg4 P12 N20 O8",
"formula_reduced": "SrMgP3N5O2",
"formula_anonymous": "ABC2D3E5",
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"spacegroup": 14
},
{
"id": "jvasp-102985",
"created_at": "2022-09-04T14:37:00.007022Z",
"updated_at": "2022-09-04T14:37:00.007044Z",
"structure_string": "Sr1 Mg1 O3\n1.0\n3.998820 0.000000 0.000000\n-0.000000 3.998820 0.000000\n-0.000000 -0.000000 3.998820\nSr Mg O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"O"
],
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"density": 4.153029366463877,
"density_atomic": 0.07819418143803418,
"volume": 63.94337670715696,
"volume_molar": 7.70152030400409,
"formula_full": "Sr1 Mg1 O3",
"formula_reduced": "SrMgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.9183753999999996,
"spacegroup": 221
},
{
"id": "jvasp-118717",
"created_at": "2022-09-04T14:38:46.830013Z",
"updated_at": "2022-09-04T14:38:46.830040Z",
"structure_string": "Sr1 Mg1 O1\n1.0\n4.617072 -0.000000 0.000000\n-2.308536 3.998502 -0.000000\n-0.000000 0.000000 3.555588\nSr Mg O\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Sr\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.000000 O\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Mg-O-Sr",
"density": 3.2361384211106135,
"density_atomic": 0.0457031209781099,
"volume": 65.6410314174581,
"volume_molar": 13.176651027583834,
"formula_full": "Sr1 Mg1 O1",
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"formula_anonymous": "ABC",
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}
]
}