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{
"id": "jvasp-36960",
"created_at": "2022-09-04T14:37:58.338334Z",
"updated_at": "2022-09-04T14:37:58.338359Z",
"structure_string": "Rb4 Ca4 I12\n1.0\n4.637942 -0.000000 0.000000\n-0.000000 10.354578 0.000000\n0.000000 0.000000 17.060312\nRb Ca I\n4 4 12\ndirect\n0.750000 0.071631 0.323689 Rb\n0.250000 0.928369 0.676311 Rb\n0.750000 0.571632 0.176311 Rb\n0.250000 0.428369 0.823689 Rb\n0.250000 0.167056 0.056142 Ca\n0.750000 0.832944 0.943858 Ca\n0.250000 0.667056 0.443858 Ca\n0.750000 0.332944 0.556142 Ca\n0.750000 0.704570 0.783735 I\n0.250000 0.295431 0.216265 I\n0.750000 0.476344 0.392740 I\n0.250000 0.523656 0.607260 I\n0.750000 0.976344 0.107260 I\n0.250000 0.662510 0.010649 I\n0.250000 0.162510 0.489351 I\n0.750000 0.837490 0.510648 I\n0.250000 0.795431 0.283735 I\n0.750000 0.337490 0.989351 I\n0.250000 0.023656 0.892740 I\n0.750000 0.204569 0.716265 I\n",
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{
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"structure_string": "Ba2 Sn1 Hg1\n1.0\n0.000000 4.210538 4.210538\n4.210538 0.000000 4.210538\n4.210538 4.210538 -0.000000\nBa Sn Hg\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Ba\n0.000000 0.000000 0.000000 Ba\n0.749999 0.749999 0.749999 Sn\n0.250001 0.250001 0.250001 Hg\n",
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{
"id": "jvasp-41635",
"created_at": "2022-09-04T14:37:46.741709Z",
"updated_at": "2022-09-04T14:37:46.741723Z",
"structure_string": "Ac2 Zn1 Ga1\n1.0\n-0.000000 3.911992 3.911992\n3.911992 0.000000 3.911992\n3.911992 3.911992 0.000000\nAc Zn Ga\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Ac\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 4,
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"density": 8.170296942376252,
"density_atomic": 0.03340689574152537,
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},
{
"id": "jvasp-109006",
"created_at": "2022-09-04T14:37:46.718544Z",
"updated_at": "2022-09-04T14:37:46.718553Z",
"structure_string": "Rb3 Tl1 I6\n1.0\n7.775444 0.000000 4.489155\n2.591815 7.330759 4.489155\n-0.000000 0.000000 8.978310\nRb Tl I\n3 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tl\n0.764523 0.235476 0.235476 I\n0.235476 0.235476 0.764524 I\n0.235476 0.764524 0.764523 I\n0.235476 0.764524 0.235476 I\n0.764523 0.235476 0.764523 I\n0.764523 0.764524 0.235476 I\n",
"nsites": 10,
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"elements": [
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"chemical_system": "I-Rb-Tl",
"density": 3.965769281204197,
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"volume": 511.7628267750455,
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"formula_full": "Rb3 Tl1 I6",
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{
"id": "jvasp-25015",
"created_at": "2022-09-04T14:37:46.713828Z",
"updated_at": "2022-09-04T14:37:46.713846Z",
"structure_string": "K4 Sn1 Sb2 F14\n1.0\n6.714871 -0.004058 -0.019419\n-3.202407 6.730780 -0.022452\n-0.210850 -0.473142 7.588216\nK Sn Sb F\n4 1 2 14\ndirect\n0.282538 0.553201 0.145083 K\n0.851913 0.730206 0.413268 K\n0.717461 0.446799 0.854918 K\n0.148087 0.269794 0.586733 K\n0.000000 0.000000 0.000000 Sn\n0.402764 0.817168 0.688530 Sb\n0.597235 0.182832 0.311470 Sb\n0.594710 0.426306 0.181543 F\n0.405290 0.573695 0.818457 F\n0.154751 0.142404 0.229612 F\n0.080186 0.626961 0.672128 F\n0.845248 0.857596 0.770389 F\n0.052630 0.764432 0.063378 F\n0.714551 0.886792 0.122511 F\n0.947370 0.235568 0.936623 F\n0.721362 0.057083 0.509819 F\n0.429082 0.657517 0.480987 F\n0.285449 0.113208 0.877490 F\n0.919813 0.373039 0.327873 F\n0.278638 0.942917 0.490182 F\n0.570918 0.342483 0.519014 F\n",
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"formula_full": "K4 Sn1 Sb2 F14",
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{
"id": "jvasp-19939",
"created_at": "2022-09-04T14:37:47.457426Z",
"updated_at": "2022-09-04T14:37:47.457455Z",
"structure_string": "Yb1 Zn1\n1.0\n3.558335 -0.000000 0.000000\n-0.000000 3.558335 -0.000000\n0.000000 -0.000000 3.558335\nYb Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499999 0.499999 0.499999 Zn\n",
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{
"id": "jvasp-40415",
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"updated_at": "2022-09-04T14:37:47.487745Z",
"structure_string": "Ac1 In1 Hg2\n1.0\n-0.000001 3.832467 3.832466\n3.832467 -0.000001 3.832466\n3.832468 3.832469 -0.000003\nAc In Hg\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ac\n0.750001 0.750001 0.750000 In\n0.000000 0.000000 0.000000 Hg\n0.500002 0.500002 0.500001 Hg\n",
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"elements": [
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{
"id": "jvasp-37815",
"created_at": "2022-09-04T14:37:58.525367Z",
"updated_at": "2022-09-04T14:37:58.525387Z",
"structure_string": "Na6 Nd2\n1.0\n3.679408 -6.372922 0.000000\n3.679408 6.372922 -0.000000\n0.000000 0.000000 5.877017\nNa Nd\n6 2\ndirect\n0.835151 0.670302 0.250000 Na\n0.329698 0.164849 0.250000 Na\n0.164850 0.835151 0.750000 Na\n0.835151 0.164850 0.250000 Na\n0.164849 0.329698 0.750000 Na\n0.670302 0.835151 0.750000 Na\n0.333333 0.666667 0.250000 Nd\n0.666667 0.333333 0.750000 Nd\n",
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}
]
}