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{
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"structure_string": "Ba2 Si4 Ni4\n1.0\n4.226665 0.023860 0.000000\n-0.789297 4.152382 0.000000\n-0.000000 -0.000000 11.423759\nBa Si Ni\n2 4 4\ndirect\n0.794736 0.794737 0.750000 Ba\n0.205263 0.205263 0.250000 Ba\n0.690372 0.690373 0.431806 Si\n0.309626 0.309627 0.931806 Si\n0.690372 0.690373 0.068194 Si\n0.309626 0.309627 0.568194 Si\n0.795472 0.204527 0.000000 Ni\n0.204526 0.795473 0.500000 Ni\n0.795472 0.204527 0.500000 Ni\n0.204526 0.795473 0.000000 Ni\n",
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{
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{
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"structure_string": "Ba4 Si4 O12\n1.0\n4.614063 0.000000 0.000000\n0.000000 5.644155 0.000000\n0.000000 0.000000 12.509433\nBa Si O\n4 4 12\ndirect\n0.771750 0.186780 0.357914 Ba\n0.228250 0.686780 0.142086 Ba\n0.728249 0.813219 0.857914 Ba\n0.271750 0.313219 0.642085 Ba\n0.326150 0.699943 0.426315 Si\n0.826150 0.800056 0.573685 Si\n0.673849 0.199943 0.073685 Si\n0.173850 0.300056 0.926315 Si\n0.818465 0.280874 0.955673 O\n0.318465 0.219125 0.044327 O\n0.239847 0.576969 0.904452 O\n0.258307 0.888116 0.332540 O\n0.758307 0.611883 0.667460 O\n0.741692 0.388116 0.167460 O\n0.241692 0.111883 0.832540 O\n0.260152 0.423030 0.404452 O\n0.760152 0.076969 0.595548 O\n0.739847 0.923030 0.095548 O\n0.681534 0.719125 0.455673 O\n0.181534 0.780874 0.544326 O\n",
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"volume_molar": 9.809367018658806,
"formula_full": "Ba4 Si4 O12",
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"spacegroup": 19
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{
"id": "jvasp-36585",
"created_at": "2022-09-04T14:37:48.368543Z",
"updated_at": "2022-09-04T14:37:48.368566Z",
"structure_string": "Ba1 Si1 O3\n1.0\n3.831549 0.000000 0.000000\n0.000000 3.831549 0.000000\n-0.000000 -0.000000 3.831549\nBa Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Ba1 Si1 O3",
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},
{
"id": "jvasp-11075",
"created_at": "2022-09-04T14:37:14.260815Z",
"updated_at": "2022-09-04T14:37:14.260842Z",
"structure_string": "Ba3 Si3 O9\n1.0\n5.177586 -0.011129 5.373321\n2.160258 4.705401 5.373321\n-0.017397 -0.011129 7.461881\nBa Si O\n3 3 9\ndirect\n0.786585 0.786584 0.786584 Ba\n0.213416 0.213415 0.213415 Ba\n0.000000 0.000000 0.000000 Ba\n0.619753 0.619752 0.619752 Si\n0.380248 0.380247 0.380247 Si\n0.500000 0.500000 0.500000 Si\n0.300012 0.300011 0.724959 O\n0.300012 0.724959 0.300011 O\n0.724960 0.300011 0.300011 O\n0.275041 0.699988 0.699988 O\n0.699989 0.699988 0.275040 O\n0.699989 0.275040 0.699988 O\n0.500001 0.500000 -0.000001 O\n0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n",
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{
"id": "jvasp-13870",
"created_at": "2022-09-04T14:36:34.302617Z",
"updated_at": "2022-09-04T14:36:34.302643Z",
"structure_string": "Ba6 Si6 O18\n1.0\n2.752265 -4.767063 0.000000\n2.752265 4.767063 -0.000000\n-0.000000 -0.000000 13.256598\nBa Si O\n6 6 18\ndirect\n0.333334 0.666668 0.595812 Ba\n0.666668 0.333334 0.095812 Ba\n0.666668 0.333334 0.404188 Ba\n0.333334 0.666668 0.904188 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.333334 0.666668 0.155545 Si\n0.666668 0.333334 0.844456 Si\n0.333334 0.666668 0.344456 Si\n0.666668 0.333334 0.655545 Si\n0.666642 0.833321 0.420068 O\n0.950761 0.475381 0.750000 O\n0.049241 0.524620 0.250000 O\n0.475381 0.950761 0.250000 O\n0.524621 0.475381 0.750000 O\n0.833320 0.166681 0.920068 O\n0.166681 0.333360 0.420068 O\n0.333360 0.166681 0.920068 O\n0.333360 0.166681 0.579932 O\n0.166681 0.833320 0.079932 O\n0.166681 0.333360 0.079932 O\n0.166681 0.833320 0.420068 O\n0.666642 0.833321 0.079932 O\n0.524620 0.049241 0.750000 O\n0.833320 0.166681 0.579932 O\n0.833321 0.666642 0.579932 O\n0.833321 0.666642 0.920068 O\n0.475381 0.524621 0.250000 O\n",
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"formula_full": "Ba6 Si6 O18",
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"spacegroup": 194
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{
"id": "jvasp-65698",
"created_at": "2022-09-04T14:36:04.942678Z",
"updated_at": "2022-09-04T14:36:04.942701Z",
"structure_string": "Ba1 Si1 P2\n1.0\n4.700741 0.000000 0.000000\n0.000000 4.700741 0.000000\n-0.000000 0.000000 4.238923\nBa Si P\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.000000 P\n0.000000 0.500000 0.000000 P\n",
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"formula_full": "Ba1 Si1 P2",
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},
{
"id": "jvasp-52404",
"created_at": "2022-09-04T14:36:35.067141Z",
"updated_at": "2022-09-04T14:36:35.067170Z",
"structure_string": "Ba1 Si1 P4 H2 O14\n1.0\n4.629662 0.000802 0.002342\n1.639266 6.441255 -0.035343\n0.714847 2.146781 8.717368\nBa Si P H O\n1 1 4 2 14\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 -0.000000 0.500000 Si\n0.412076 0.173378 0.665042 P\n0.587926 0.826621 0.334958 P\n0.090271 0.567256 0.739877 P\n0.909730 0.432742 0.260123 P\n0.542596 0.546962 0.834705 H\n0.457406 0.453037 0.165295 H\n0.879909 0.445705 0.837005 O\n0.120093 0.554294 0.162995 O\n0.920233 0.775730 0.637919 O\n0.079769 0.224268 0.362082 O\n0.716306 0.570149 0.372459 O\n0.283695 0.429850 0.627541 O\n0.146826 0.078150 0.649173 O\n0.356281 0.848488 0.463428 O\n0.853175 0.921849 0.350828 O\n0.316826 0.619316 0.836391 O\n0.488351 0.902713 0.171457 O\n0.511651 0.097285 0.828543 O\n0.643721 0.151511 0.536573 O\n0.683176 0.380683 0.163609 O\n",
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{
"id": "jvasp-121795",
"created_at": "2022-09-04T14:38:55.559104Z",
"updated_at": "2022-09-04T14:38:55.559131Z",
"structure_string": "Ba4 Si4 Pd4\n1.0\n6.730247 -0.000000 0.000000\n0.000000 6.730247 0.000000\n-0.000000 -0.000000 6.730247\nBa Si Pd\n4 4 4\ndirect\n0.366497 0.866498 0.633503 Ba\n0.866498 0.633503 0.366497 Ba\n0.633503 0.366497 0.866498 Ba\n0.133503 0.133503 0.133503 Ba\n0.657291 0.157290 0.342710 Si\n0.157290 0.342710 0.657291 Si\n0.342710 0.657291 0.157290 Si\n0.842710 0.842710 0.842710 Si\n0.092978 0.592978 0.907022 Pd\n0.592978 0.907022 0.092978 Pd\n0.907022 0.092978 0.592978 Pd\n0.407022 0.407022 0.407022 Pd\n",
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"formula_full": "Ba4 Si4 Pd4",
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"spacegroup": 198
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{
"id": "jvasp-51245",
"created_at": "2022-09-04T14:36:59.289037Z",
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"structure_string": "Ba1 Si1 Tc2\n1.0\n0.000000 3.403740 3.403740\n3.403740 0.000000 3.403740\n3.403740 3.403740 -0.000000\nBa Si Tc\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Si\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Tc\n",
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},
{
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"structure_string": "Ba1 Si1 Te1\n1.0\n4.093432 0.000000 -0.000000\n-0.000000 4.093432 -0.000000\n-0.000000 0.000000 8.780389\nBa Si Te\n1 1 1\ndirect\n0.000000 0.000000 0.363825 Ba\n0.000000 0.000000 0.725185 Si\n0.000000 0.000000 -0.006243 Te\n",
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{
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"structure_string": "Ba1 Si1 Te1\n1.0\n-0.000000 3.897945 3.897945\n3.897945 -0.000000 3.897945\n3.897945 3.897945 -0.000000\nBa Si Te\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Si\n0.500001 0.500001 0.500001 Te\n",
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