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"id": "jvasp-113731",
"created_at": "2022-09-04T14:38:48.624237Z",
"updated_at": "2022-09-04T14:38:48.624253Z",
"structure_string": "Sr1 Te1 O1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nSr Te O\n1 1 1\ndirect\n0.070312 0.371263 0.000000 Sr\n-0.068721 -0.031433 0.000000 Te\n0.298396 0.011205 0.000000 O\n",
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{
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"structure_string": "Sr4 Te4 O12\n1.0\n0.000000 6.793373 -0.024664\n7.254667 0.000000 0.000000\n0.000000 -5.132111 -6.992336\nSr Te O\n4 4 12\ndirect\n0.863138 0.626878 0.131360 Sr\n0.136861 0.126878 0.368640 Sr\n0.136861 0.373122 0.868640 Sr\n0.863139 0.873122 0.631360 Sr\n0.375957 0.829846 0.101603 Te\n0.624043 0.329846 0.398396 Te\n0.624043 0.170154 0.898397 Te\n0.375957 0.670154 0.601604 Te\n0.772160 0.531280 0.568045 O\n0.227840 0.031280 0.931955 O\n0.401040 0.585743 0.819621 O\n0.598960 0.085743 0.680379 O\n0.598960 0.414257 0.180379 O\n0.916183 0.312125 0.023445 O\n0.083817 0.687876 0.976555 O\n0.916183 0.187875 0.523446 O\n0.772159 0.968720 0.068045 O\n0.083817 0.812125 0.476554 O\n0.401040 0.914258 0.319621 O\n0.227840 0.468720 0.431955 O\n",
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"formula_full": "Sr4 Te4 O12",
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{
"id": "jvasp-19107",
"created_at": "2022-09-04T14:37:06.247748Z",
"updated_at": "2022-09-04T14:37:06.247768Z",
"structure_string": "Sr4 Te4 O16\n1.0\n5.087236 -0.000000 0.000000\n-0.000000 5.602618 0.000000\n0.000000 0.000000 13.244901\nSr Te O\n4 4 16\ndirect\n0.750001 0.000000 0.665675 Sr\n0.250000 0.500000 0.834325 Sr\n0.250000 0.000000 0.334325 Sr\n0.750001 0.500000 0.165675 Sr\n0.750001 0.500000 0.429149 Te\n0.250000 0.000000 0.070851 Te\n0.250000 0.500000 0.570851 Te\n0.750001 0.000000 0.929149 Te\n0.927878 0.809037 0.042165 O\n0.427878 0.690964 0.457835 O\n0.927878 0.690964 0.542165 O\n0.427878 0.809037 0.957835 O\n0.072123 0.190964 0.957835 O\n0.572123 0.309036 0.542165 O\n0.631776 0.283022 0.331590 O\n0.368225 0.716978 0.668410 O\n0.368225 0.783023 0.168410 O\n0.868225 0.716978 0.331590 O\n0.572123 0.190964 0.042165 O\n0.868225 0.783023 0.831590 O\n0.631776 0.216978 0.831590 O\n0.131776 0.283022 0.668410 O\n0.131776 0.216978 0.168410 O\n0.072123 0.309036 0.457835 O\n",
"nsites": 24,
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"density": 4.912813351046333,
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"volume": 377.5040489039083,
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"formula_full": "Sr4 Te4 O16",
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"spacegroup": 60
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{
"id": "jvasp-46048",
"created_at": "2022-09-04T14:38:12.385490Z",
"updated_at": "2022-09-04T14:38:12.385509Z",
"structure_string": "Sr3 Te1 O6\n1.0\n3.043649 1.757252 4.763782\n-3.043649 1.757252 4.763782\n0.000000 -3.514503 4.763782\nSr Te O\n3 1 6\ndirect\n0.649998 0.649998 0.649998 Sr\n0.388931 0.388931 0.388931 Sr\n0.911076 0.911076 0.911076 Sr\n0.150000 0.150000 0.150000 Te\n0.018300 0.838606 0.354482 O\n0.461394 0.945515 0.281697 O\n0.281697 0.461395 0.945515 O\n0.838606 0.354482 0.018301 O\n0.354482 0.018301 0.838605 O\n0.945515 0.281696 0.461395 O\n",
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"density": 5.283982350966301,
"density_atomic": 0.06541364344650703,
"volume": 152.8733070521847,
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"formula_full": "Sr3 Te1 O6",
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"formula_anonymous": "AB3C6",
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"spacegroup": 148
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{
"id": "jvasp-114402",
"created_at": "2022-09-04T14:38:40.532553Z",
"updated_at": "2022-09-04T14:38:40.532580Z",
"structure_string": "Sr1 Te1 O1\n1.0\n5.151574 -0.000000 -0.000000\n-2.575787 4.461394 0.000000\n0.000000 0.000000 4.733511\nSr Te O\n1 1 1\ndirect\n0.333332 0.666665 0.000000 Sr\n0.666665 0.333333 0.000000 Te\n0.000000 0.000000 0.000000 O\n",
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"volume": 108.79123633044212,
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"formula_full": "Sr1 Te1 O1",
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"formula_anonymous": "ABC",
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"spacegroup": 187
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{
"id": "jvasp-98901",
"created_at": "2022-09-04T14:35:58.126625Z",
"updated_at": "2022-09-04T14:35:58.126638Z",
"structure_string": "Sr6 Te6 O18\n1.0\n5.962828 -0.172203 -0.066628\n-0.247310 7.862282 3.233286\n-0.425354 0.230346 11.893879\nSr Te O\n6 6 18\ndirect\n0.972017 0.471147 0.112146 Sr\n0.487307 0.762571 0.572221 Sr\n0.452579 0.784598 0.032555 Sr\n0.531916 0.089715 0.220910 Sr\n0.000287 0.748554 0.290222 Sr\n-0.015775 0.779136 0.778509 Sr\n0.019045 0.040817 0.415901 Te\n0.519485 0.097650 0.669240 Te\n0.967026 0.031903 -0.013088 Te\n0.439050 0.425637 0.895493 Te\n0.012493 0.409231 0.638484 Te\n0.480749 0.465233 0.347438 Te\n0.265094 0.569551 0.944343 O\n0.712671 0.559072 0.229581 O\n0.151808 0.577330 0.690360 O\n0.002784 0.815236 0.977002 O\n0.138989 0.490542 0.480906 O\n-0.052106 0.179279 0.250585 O\n0.633594 0.359641 0.036338 O\n0.259193 0.583917 0.227416 O\n0.247301 0.911453 0.386425 O\n0.785059 0.870915 0.414323 O\n0.227471 0.997828 0.093480 O\n0.742566 -0.013543 0.618864 O\n0.596507 -0.001864 0.839127 O\n0.642209 0.586481 0.785349 O\n0.292181 0.941035 0.654599 O\n0.425575 0.244906 0.351127 O\n0.748880 0.944300 0.111418 O\n0.179857 0.217836 0.733130 O\n",
"nsites": 30,
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"elements": [
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"density": 4.745133801956818,
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"volume": 552.6724291229285,
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"formula_full": "Sr6 Te6 O18",
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"spacegroup": 1
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{
"id": "jvasp-40778",
"created_at": "2022-09-04T14:37:49.018517Z",
"updated_at": "2022-09-04T14:37:49.018541Z",
"structure_string": "Sr1 Te1 Pd1\n1.0\n4.228954 -0.000000 2.441588\n1.409652 3.987096 2.441588\n0.000000 0.000000 4.883177\nSr Te Pd\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.500000 0.500001 Te\n0.250000 0.250000 0.250001 Pd\n",
"nsites": 3,
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"elements": [
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],
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"density": 6.486748061925762,
"density_atomic": 0.03643586921751697,
"volume": 82.3364465958099,
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"formula_full": "Sr1 Te1 Pd1",
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"spacegroup": 216
},
{
"id": "jvasp-5611",
"created_at": "2022-09-04T14:37:39.785551Z",
"updated_at": "2022-09-04T14:37:39.785574Z",
"structure_string": "Sr2 Th2 Br12\n1.0\n4.407422 0.000000 0.000000\n0.000000 9.247773 0.000000\n0.000000 0.000000 11.788183\nSr Th Br\n2 2 12\ndirect\n0.500000 0.750000 0.738125 Sr\n0.500000 0.250000 0.261875 Sr\n0.000000 0.750000 0.265885 Th\n0.000000 0.250000 0.734114 Th\n0.500000 0.567022 0.363913 Br\n0.500000 0.432978 0.636087 Br\n0.500000 0.067022 0.636087 Br\n0.500000 0.932978 0.363913 Br\n0.500000 0.750000 0.091317 Br\n0.500000 0.250000 0.908683 Br\n0.000000 0.750000 0.547992 Br\n0.000000 0.250000 0.452007 Br\n0.000000 0.549050 0.848381 Br\n0.000000 0.450950 0.151619 Br\n0.000000 0.049050 0.151619 Br\n0.000000 0.950950 0.848381 Br\n",
"nsites": 16,
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"elements": [
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"density": 5.523340388873009,
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"volume": 480.47264322956175,
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"formula_full": "Sr2 Th2 Br12",
"formula_reduced": "SrThBr6",
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"spacegroup": 51
},
{
"id": "jvasp-110390",
"created_at": "2022-09-04T14:38:39.600361Z",
"updated_at": "2022-09-04T14:38:39.600373Z",
"structure_string": "Sr1 Th1 F6\n1.0\n4.166392 0.000000 -0.000000\n-2.083196 3.608201 0.000000\n-0.000000 -0.000000 7.441212\nSr Th F\n1 1 6\ndirect\n0.666666 0.333333 0.000000 Sr\n0.333332 0.666667 0.500000 Th\n0.000000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.666666 0.333333 0.345188 F\n0.333332 0.666667 0.798453 F\n0.333332 0.666667 0.201547 F\n0.666666 0.333333 0.654811 F\n",
"nsites": 8,
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"formula_full": "Sr1 Th1 F6",
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},
{
"id": "jvasp-67014",
"created_at": "2022-09-04T14:35:47.671087Z",
"updated_at": "2022-09-04T14:35:47.671110Z",
"structure_string": "Sr1 Ti1 Be2\n1.0\n2.926461 0.000000 0.000000\n0.000000 2.926461 -0.000000\n0.000000 -0.000000 8.027199\nSr Ti Be\n1 1 2\ndirect\n0.000000 0.000000 0.464235 Sr\n0.500000 0.500000 0.838077 Ti\n0.000000 0.000000 0.038836 Be\n0.500000 0.500000 0.158852 Be\n",
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"formula_full": "Sr1 Ti1 Be2",
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"spacegroup": 99
},
{
"id": "jvasp-68867",
"created_at": "2022-09-04T14:36:12.534716Z",
"updated_at": "2022-09-04T14:36:12.534732Z",
"structure_string": "Sr2 Ti1 Be2\n1.0\n-2.967160 2.967160 3.767261\n2.967160 -2.967160 3.767261\n2.967160 2.967160 -3.767261\nSr Ti Be\n2 1 2\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.000000 0.000000 0.000000 Ti\n0.637143 0.637143 0.000000 Be\n0.362857 0.362857 0.000000 Be\n",
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{
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"created_at": "2022-09-04T14:36:17.404256Z",
"updated_at": "2022-09-04T14:36:17.404285Z",
"structure_string": "Sr1 Ti1 Be1\n1.0\n1.717060 -2.974034 0.000000\n1.717060 2.974034 -0.000000\n0.000000 -0.000000 6.745357\nSr Ti Be\n1 1 1\ndirect\n0.666667 0.333333 0.302981 Sr\n0.333333 0.666667 0.739569 Ti\n0.000000 0.000000 0.957450 Be\n",
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}