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"structure_string": "Ba1 Te3\n1.0\n6.592498 -0.172452 0.022844\n-4.590513 -4.731598 -0.197778\n0.536374 2.819904 -5.208351\nBa Te\n1 3\ndirect\n0.613337 0.274477 0.653823 Ba\n0.087307 0.090325 0.013523 Te\n-0.098382 -0.067511 0.497701 Te\n0.005626 0.505332 0.228312 Te\n",
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{
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"updated_at": "2022-09-04T14:38:50.029152Z",
"structure_string": "Ba2 Te1\n1.0\n6.448527 0.850841 -2.296102\n-2.270795 -5.193760 -3.678309\n0.099947 -3.290716 -7.826255\nBa Te\n2 1\ndirect\n0.584239 0.366554 0.245863 Ba\n0.321853 0.076215 0.008253 Ba\n0.042381 0.240788 0.287638 Te\n",
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{
"id": "jvasp-37936",
"created_at": "2022-09-04T14:37:57.469657Z",
"updated_at": "2022-09-04T14:37:57.469675Z",
"structure_string": "Ba1 Th3\n1.0\n-2.622624 2.622624 5.191578\n2.622624 -2.622624 5.191578\n2.622624 2.622624 -5.191578\nBa Th\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.749999 0.500000 Th\n0.749999 0.250000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n",
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"elements": [
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"chemical_system": "Ba-Th",
"density": 9.689304743775372,
"density_atomic": 0.028004547149309642,
"volume": 142.83394688275138,
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{
"id": "jvasp-37912",
"created_at": "2022-09-04T14:37:59.669336Z",
"updated_at": "2022-09-04T14:37:59.669352Z",
"structure_string": "Ba2 Tl6\n1.0\n3.802894 -6.586806 -0.000000\n3.802894 6.586806 -0.000000\n-0.000000 -0.000000 5.321935\nBa Tl\n2 6\ndirect\n0.333332 0.666667 0.750001 Ba\n0.666667 0.333332 0.250000 Ba\n0.697008 0.848503 0.250000 Tl\n0.151495 0.848504 0.250000 Tl\n0.151496 0.302991 0.250000 Tl\n0.302991 0.151496 0.750001 Tl\n0.848504 0.151495 0.750001 Tl\n0.848503 0.697008 0.750001 Tl\n",
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"elements": [
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"chemical_system": "Ba-Tl",
"density": 9.348195103057167,
"density_atomic": 0.030005532099393176,
"volume": 266.6175015160551,
"volume_molar": 20.070101540114962,
"formula_full": "Ba2 Tl6",
"formula_reduced": "BaTl3",
"formula_anonymous": "AB3",
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"spacegroup": 194
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{
"id": "jvasp-18629",
"created_at": "2022-09-04T14:36:59.484603Z",
"updated_at": "2022-09-04T14:36:59.484618Z",
"structure_string": "Ba2 Tl4\n1.0\n2.666730 -4.618911 -0.000000\n2.666730 4.618911 0.000000\n0.000000 0.000000 8.520733\nBa Tl\n2 4\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.333333 0.666667 0.454878 Tl\n0.666667 0.333333 0.954878 Tl\n0.666667 0.333333 0.545122 Tl\n0.333333 0.666667 0.045122 Tl\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Ba-Tl",
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"volume": 209.90635786033766,
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"formula_full": "Ba2 Tl4",
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{
"id": "jvasp-122923",
"created_at": "2022-09-04T14:38:54.735523Z",
"updated_at": "2022-09-04T14:38:54.735543Z",
"structure_string": "Ba1 V1\n1.0\n3.811784 0.000000 0.000000\n0.000000 3.811784 0.000000\n-0.000000 -0.000000 3.811784\nBa V\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.499999 0.499999 0.499999 V\n",
"nsites": 2,
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"elements": [
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"density": 5.644713598804507,
"density_atomic": 0.036111468305780575,
"volume": 55.38406755063593,
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"formula_full": "Ba1 V1",
"formula_reduced": "BaV",
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"spacegroup": 221
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{
"id": "jvasp-107432",
"created_at": "2022-09-04T14:37:01.808420Z",
"updated_at": "2022-09-04T14:37:01.808439Z",
"structure_string": "Ba6 Y2\n1.0\n8.282687 -0.000000 0.000000\n-4.141343 7.173018 0.000000\n-0.000000 -0.000000 6.661739\nBa Y\n6 2\ndirect\n0.171340 0.342681 0.250000 Ba\n0.657320 0.828660 0.250000 Ba\n0.171341 0.828660 0.250000 Ba\n0.828661 0.657319 0.750000 Ba\n0.342681 0.171340 0.750000 Ba\n0.828660 0.171340 0.750000 Ba\n0.333334 0.666667 0.750000 Y\n0.666667 0.333333 0.250000 Y\n",
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"elements": [
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"density": 4.202985960264596,
"density_atomic": 0.0202129267907625,
"volume": 395.7863244058291,
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"formula_full": "Ba6 Y2",
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"spacegroup": 194
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{
"id": "jvasp-106492",
"created_at": "2022-09-04T14:36:57.070475Z",
"updated_at": "2022-09-04T14:36:57.070502Z",
"structure_string": "Ba3 Y1\n1.0\n5.298472 -0.066436 -4.687082\n-1.118570 5.179481 -4.687082\n0.054312 0.066436 7.073867\nBa Y\n3 1\ndirect\n0.749999 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.000000 Y\n",
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"elements": [
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"volume": 196.93845447893213,
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"spacegroup": 139
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{
"id": "jvasp-35802",
"created_at": "2022-09-04T14:37:29.742346Z",
"updated_at": "2022-09-04T14:37:29.742369Z",
"structure_string": "Ba2 Zn1\n1.0\n4.137164 0.000000 -0.000000\n0.000000 4.137164 0.000000\n-2.068582 -2.068582 7.389988\nBa Zn\n2 1\ndirect\n0.628722 0.628722 0.257444 Ba\n0.371278 0.371278 0.742556 Ba\n0.000000 0.000000 0.000000 Zn\n",
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"elements": [
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"chemical_system": "Ba-Zn",
"density": 4.464360656736973,
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"volume": 126.4879654722899,
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"spacegroup": 139
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{
"id": "jvasp-19887",
"created_at": "2022-09-04T14:36:15.939318Z",
"updated_at": "2022-09-04T14:36:15.939335Z",
"structure_string": "Ba1 Zn1\n1.0\n4.079626 -0.000000 0.000000\n0.000000 4.079626 0.000000\n-0.000000 -0.000000 4.079626\nBa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500001 0.500001 Zn\n",
"nsites": 2,
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"elements": [
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"density": 4.958141515080738,
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"volume": 67.89863645122995,
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"spacegroup": 221
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{
"id": "jvasp-20296",
"created_at": "2022-09-04T14:38:34.138088Z",
"updated_at": "2022-09-04T14:38:34.138105Z",
"structure_string": "Ba2 Zn10\n1.0\n5.401100 0.000000 0.000000\n-0.000000 6.638621 -1.688714\n-0.000000 -0.011510 6.850029\nBa Zn\n2 10\ndirect\n0.750000 0.332739 0.332739 Ba\n0.250000 0.667261 0.667262 Ba\n0.500000 0.205222 0.794778 Zn\n0.000000 0.794778 0.205223 Zn\n0.250000 0.079665 0.079665 Zn\n0.750000 0.920335 0.920336 Zn\n0.250000 0.464935 0.087337 Zn\n0.750000 0.535065 0.912664 Zn\n0.250000 0.087337 0.464935 Zn\n0.750000 0.912663 0.535065 Zn\n0.000000 0.205222 0.794778 Zn\n0.500000 0.794778 0.205223 Zn\n",
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{
"id": "jvasp-18630",
"created_at": "2022-09-04T14:36:40.158489Z",
"updated_at": "2022-09-04T14:36:40.158507Z",
"structure_string": "Ba2 Zn4\n1.0\n4.600912 -0.000000 2.048917\n2.206756 5.618920 1.234865\n0.012697 0.015430 6.161698\nBa Zn\n2 4\ndirect\n0.750001 0.692117 0.807884 Ba\n0.250000 0.307884 0.192117 Ba\n0.576292 0.264473 0.582944 Zn\n0.423709 0.735527 0.417058 Zn\n0.076292 0.082943 0.764473 Zn\n0.923709 0.917057 0.235528 Zn\n",
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