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"id": "jvasp-7987",
"created_at": "2022-09-04T14:37:05.931069Z",
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"structure_string": "Ba2 Te4\n1.0\n6.129686 -0.008792 -2.961734\n-3.714308 5.636225 -0.884240\n-0.005794 0.008792 6.807708\nBa Te\n2 4\ndirect\n0.000001 0.750000 0.750001 Ba\n0.000000 0.250000 0.250000 Ba\n0.223019 0.361509 0.861510 Te\n0.500001 0.861510 0.638492 Te\n0.776983 0.638492 0.138492 Te\n0.500001 0.138491 0.361510 Te\n",
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{
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"structure_string": "Sr1 Mg1\n1.0\n4.040964 0.000000 -0.000000\n-2.020483 3.499578 -0.000000\n-0.000000 -0.000000 5.541023\nSr Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.500000 Mg\n",
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{
"id": "jvasp-66215",
"created_at": "2022-09-04T14:35:56.278685Z",
"updated_at": "2022-09-04T14:35:56.278709Z",
"structure_string": "Ba4 Ga1 Fe1\n1.0\n0.000000 4.898559 4.898559\n4.898559 -0.000000 4.898559\n4.898559 4.898559 -0.000000\nBa Ga Fe\n4 1 1\ndirect\n0.125359 0.624881 0.624881 Ba\n0.624881 0.624881 0.624881 Ba\n0.624881 0.125359 0.624881 Ba\n0.624881 0.624881 0.125359 Ba\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Fe\n",
"nsites": 6,
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"elements": [
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],
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"density_atomic": 0.025522089368964766,
"volume": 235.09047058255692,
"volume_molar": 23.595798419713287,
"formula_full": "Ba4 Ga1 Fe1",
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"formula_anonymous": "ABC4",
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},
{
"id": "jvasp-36883",
"created_at": "2022-09-04T14:37:57.771310Z",
"updated_at": "2022-09-04T14:37:57.771335Z",
"structure_string": "Rb1 Sn1 Br3\n1.0\n5.803646 -0.002358 -0.014603\n0.012389 5.805974 0.012375\n0.032712 0.054556 5.814992\nRb Sn Br\n1 1 3\ndirect\n-0.000581 0.011153 0.038742 Rb\n0.493539 0.488118 0.482037 Sn\n0.490545 0.476230 0.978769 Br\n0.493343 0.986646 0.464639 Br\n0.993154 0.487852 0.465811 Br\n",
"nsites": 5,
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},
{
"id": "jvasp-100829",
"created_at": "2022-09-04T14:36:35.535971Z",
"updated_at": "2022-09-04T14:36:35.536001Z",
"structure_string": "K5 Sb4\n1.0\n6.317481 -0.027912 2.301736\n3.970938 4.913552 2.301736\n-0.003529 -0.001676 11.321513\nK Sb\n5 4\ndirect\n0.096172 0.096172 0.110810 K\n0.898363 0.898361 0.893039 K\n0.750062 0.750061 0.336201 K\n0.244338 0.244337 0.667593 K\n0.996990 0.996989 0.502051 K\n0.451102 0.451101 0.328516 Sb\n0.543419 0.543418 0.675292 Sb\n0.388120 0.388120 0.111097 Sb\n0.606437 0.606436 0.892703 Sb\n",
"nsites": 9,
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"elements": [
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"formula_anonymous": "A4B5",
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},
{
"id": "jvasp-3957",
"created_at": "2022-09-04T14:36:35.865016Z",
"updated_at": "2022-09-04T14:36:35.865027Z",
"structure_string": "Rb2 Pt1 I6\n1.0\n6.868405 0.000000 3.965475\n2.289468 6.475594 3.965475\n0.000000 0.000000 7.930950\nRb Pt I\n2 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Pt\n0.758419 0.241581 0.241581 I\n0.241581 0.758419 0.758419 I\n0.758419 0.241581 0.758419 I\n0.241581 0.758419 0.241580 I\n0.758419 0.758419 0.241580 I\n0.241581 0.241581 0.758419 I\n",
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"density_atomic": 0.025514190264670642,
"volume": 352.74488065812733,
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"formula_full": "Rb2 Pt1 I6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 225
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{
"id": "jvasp-66630",
"created_at": "2022-09-04T14:36:15.480494Z",
"updated_at": "2022-09-04T14:36:15.480522Z",
"structure_string": "Ba4 Ge1 Mo1\n1.0\n-0.000000 4.899182 4.899182\n4.899182 0.000000 4.899182\n4.899182 4.899182 0.000000\nBa Ge Mo\n4 1 1\ndirect\n0.127083 0.624305 0.624305 Ba\n0.624305 0.624305 0.624305 Ba\n0.624305 0.127083 0.624305 Ba\n0.624305 0.624305 0.127083 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Mo\n",
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"density_atomic": 0.025512354127558954,
"volume": 235.18017859115088,
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"formula_full": "Ba4 Ge1 Mo1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-115596",
"created_at": "2022-09-04T14:38:47.303652Z",
"updated_at": "2022-09-04T14:38:47.303671Z",
"structure_string": "Ba2 O1\n1.0\n7.168259 -0.556272 -0.292917\n-0.483510 -7.200827 2.111278\n0.111950 2.988247 -3.137099\nBa O\n2 1\ndirect\n0.188124 0.593095 -0.002491 Ba\n0.735965 0.929051 0.003115 Ba\n0.081220 0.927669 -0.000021 O\n",
"nsites": 3,
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"density": 4.103968792980101,
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"volume": 117.60355643193031,
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"spacegroup": 156
},
{
"id": "jvasp-100501",
"created_at": "2022-09-04T14:36:38.866560Z",
"updated_at": "2022-09-04T14:36:38.866579Z",
"structure_string": "Sr1 Y1\n1.0\n3.789054 0.000000 0.000000\n-1.894527 3.281417 -0.000000\n-0.000000 0.000000 6.306069\nSr Y\n1 1\ndirect\n0.666666 0.333333 0.500000 Sr\n0.333332 0.666668 0.000000 Y\n",
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},
{
"id": "jvasp-66528",
"created_at": "2022-09-04T14:35:49.492358Z",
"updated_at": "2022-09-04T14:35:49.492391Z",
"structure_string": "Ba1 Tl1 Zn1\n1.0\n-0.000000 3.888799 3.888799\n3.888799 0.000000 3.888799\n3.888799 3.888799 0.000000\nBa Tl Zn\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Zn\n",
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{
"id": "jvasp-63885",
"created_at": "2022-09-04T14:36:03.310322Z",
"updated_at": "2022-09-04T14:36:03.310346Z",
"structure_string": "Ba4 Ti1 Pd1\n1.0\n0.000000 4.899668 4.899668\n4.899668 0.000000 4.899668\n4.899668 4.899668 0.000000\nBa Ti Pd\n4 1 1\ndirect\n0.126977 0.624341 0.624341 Ba\n0.624341 0.624341 0.624341 Ba\n0.624341 0.126977 0.624341 Ba\n0.624341 0.624341 0.126977 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Pd\n",
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