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{
"id": "jvasp-64997",
"created_at": "2022-09-04T14:36:07.342591Z",
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"structure_string": "Ba4 Ca1 Nb1\n1.0\n-0.000000 5.154241 5.154241\n5.154241 0.000000 5.154241\n5.154241 5.154241 0.000000\nBa Ca Nb\n4 1 1\ndirect\n0.121382 0.626206 0.626206 Ba\n0.626206 0.626206 0.626206 Ba\n0.626206 0.121382 0.626206 Ba\n0.626206 0.626206 0.121382 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Nb\n",
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{
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"structure_string": "Ba2 Mg2 H8\n1.0\n2.094609 6.849314 0.000000\n-2.094609 6.849314 0.000000\n0.000000 0.000000 5.685725\nBa Mg H\n2 2 8\ndirect\n0.363215 0.363215 0.250000 Ba\n0.636784 0.636784 0.750001 Ba\n0.096445 0.096445 0.250000 Mg\n0.903555 0.903555 0.750001 Mg\n0.189681 0.189681 0.492081 H\n0.810319 0.810319 0.507920 H\n0.189681 0.189681 0.007920 H\n0.810319 0.810319 0.992081 H\n0.583695 0.583695 0.250000 H\n0.416304 0.416304 0.750001 H\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 H\n",
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"formula_full": "Ba2 Mg2 H8",
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{
"id": "jvasp-64009",
"created_at": "2022-09-04T14:35:54.514177Z",
"updated_at": "2022-09-04T14:35:54.514197Z",
"structure_string": "Ba4 Ga1 P1\n1.0\n0.000000 4.871201 4.871201\n4.871201 0.000000 4.871201\n4.871201 4.871201 0.000000\nBa Ga P\n4 1 1\ndirect\n0.121613 0.626129 0.626129 Ba\n0.626129 0.626129 0.626129 Ba\n0.626129 0.121613 0.626129 Ba\n0.626129 0.626129 0.121613 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 P\n",
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},
{
"id": "jvasp-62921",
"created_at": "2022-09-04T14:36:06.228407Z",
"updated_at": "2022-09-04T14:36:06.228434Z",
"structure_string": "Li2 B2 H8\n1.0\n2.093325 -3.625662 0.000000\n2.093325 3.625662 0.000000\n0.000000 0.000000 7.180402\nLi B H\n2 2 8\ndirect\n0.333319 0.666683 0.110408 Li\n0.666683 0.333319 0.610408 Li\n0.333340 0.666662 0.536370 B\n0.666662 0.333340 0.036370 B\n0.333272 0.666731 0.366686 H\n0.666731 0.333272 0.866686 H\n0.174720 0.349364 0.593815 H\n0.650639 0.825283 0.593815 H\n0.174720 0.825282 0.593904 H\n0.825283 0.650639 0.093815 H\n0.349364 0.174720 0.093815 H\n0.825282 0.174720 0.093904 H\n",
"nsites": 12,
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"formula_full": "Li2 B2 H8",
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"spacegroup": 186
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{
"id": "jvasp-64823",
"created_at": "2022-09-04T14:36:05.468980Z",
"updated_at": "2022-09-04T14:36:05.469012Z",
"structure_string": "Ba4 Pd1 Br1\n1.0\n0.000000 4.955775 4.955775\n4.955775 -0.000000 4.955775\n4.955775 4.955775 -0.000000\nBa Pd Br\n4 1 1\ndirect\n0.125025 0.624992 0.624992 Ba\n0.624992 0.624992 0.624992 Ba\n0.624992 0.125025 0.624992 Ba\n0.624992 0.624992 0.125025 Ba\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
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{
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"updated_at": "2022-09-04T14:36:08.035753Z",
"structure_string": "Ba1 Zn4 Br1\n1.0\n0.000000 4.216839 4.216839\n4.216839 0.000000 4.216839\n4.216839 4.216839 -0.000000\nBa Zn Br\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.115973 0.628009 0.628009 Zn\n0.628009 0.628009 0.628009 Zn\n0.628009 0.115973 0.628009 Zn\n0.628009 0.628009 0.115973 Zn\n0.000000 0.000000 0.000000 Br\n",
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"volume": 149.96539481787082,
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{
"id": "jvasp-66151",
"created_at": "2022-09-04T14:36:05.844207Z",
"updated_at": "2022-09-04T14:36:05.844232Z",
"structure_string": "Ba4 V1 Ru1\n1.0\n0.000000 4.780803 4.780803\n4.780803 -0.000000 4.780803\n4.780803 4.780803 -0.000000\nBa V Ru\n4 1 1\ndirect\n0.126530 0.624490 0.624490 Ba\n0.624490 0.624490 0.624490 Ba\n0.624490 0.126530 0.624490 Ba\n0.624490 0.624490 0.126530 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 6,
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"elements": [
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"V",
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"formula_full": "Ba4 V1 Ru1",
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{
"id": "jvasp-64068",
"created_at": "2022-09-04T14:36:05.612715Z",
"updated_at": "2022-09-04T14:36:05.612741Z",
"structure_string": "Ba4 Sn1 Sb1\n1.0\n0.000000 4.951032 4.951032\n4.951032 0.000000 4.951032\n4.951032 4.951032 -0.000000\nBa Sn Sb\n4 1 1\ndirect\n0.126367 0.624544 0.624544 Ba\n0.624544 0.624544 0.624544 Ba\n0.624544 0.126367 0.624544 Ba\n0.624544 0.624544 0.126367 Ba\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Sb\n",
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{
"id": "jvasp-86407",
"created_at": "2022-09-04T14:36:05.355681Z",
"updated_at": "2022-09-04T14:36:05.355730Z",
"structure_string": "La1 Mg1 Ni4\n1.0\n4.375635 0.000000 2.526274\n1.458545 4.125388 2.526274\n-0.000000 0.000000 5.052549\nLa Mg Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 La\n0.249999 0.250000 0.250000 Mg\n0.623215 0.623217 0.623216 Ni\n0.623216 0.130350 0.623216 Ni\n0.623215 0.623217 0.130349 Ni\n0.130349 0.623217 0.623216 Ni\n",
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{
"id": "jvasp-42668",
"created_at": "2022-09-04T14:36:08.316266Z",
"updated_at": "2022-09-04T14:36:08.316277Z",
"structure_string": "Sr4 Ca4 I16\n1.0\n0.000000 7.994232 0.007449\n7.818407 0.000000 0.000000\n0.000000 -4.648660 -16.183599\nSr Ca I\n4 4 16\ndirect\n0.278451 0.054950 0.842525 Sr\n0.278451 0.445050 0.342525 Sr\n0.721549 0.554951 0.657475 Sr\n0.721549 0.945050 0.157475 Sr\n0.198541 0.337393 0.595863 Ca\n0.198541 0.162607 0.095863 Ca\n0.801459 0.837393 0.904137 Ca\n0.801459 0.662607 0.404137 Ca\n0.948181 0.295559 0.419062 I\n0.948181 0.204441 0.919062 I\n0.537062 0.604638 0.233274 I\n0.509861 0.747538 0.480670 I\n0.537062 0.895362 0.733274 I\n0.490139 0.247538 0.019330 I\n0.509861 0.752462 0.980670 I\n0.051819 0.795559 0.080938 I\n0.490139 0.252462 0.519330 I\n0.462938 0.395362 0.766726 I\n0.047723 0.676173 0.819737 I\n0.051819 0.704441 0.580938 I\n0.952276 0.323827 0.180263 I\n0.952277 0.176173 0.680263 I\n0.462938 0.104638 0.266726 I\n0.047723 0.823827 0.319737 I\n",
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{
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"created_at": "2022-09-04T14:36:05.896435Z",
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"structure_string": "Ba4 Ca1 Mo1\n1.0\n0.000000 4.987160 4.987160\n4.987160 -0.000000 4.987160\n4.987160 4.987160 -0.000000\nBa Ca Mo\n4 1 1\ndirect\n0.119594 0.626802 0.626802 Ba\n0.626802 0.626802 0.626802 Ba\n0.626802 0.119594 0.626802 Ba\n0.626802 0.626802 0.119594 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Mo\n",
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