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"id": "jvasp-28565",
"created_at": "2022-09-04T14:35:41.223600Z",
"updated_at": "2022-09-04T14:35:41.223613Z",
"structure_string": "Te2 Mo2 W1 Se2 S2\n1.0\n3.354234 0.000000 0.000000\n-1.677117 2.904850 0.000262\n0.000000 0.002719 29.227006\nTe Mo W Se S\n2 2 1 2 2\ndirect\n0.333286 0.666575 0.408805 Te\n0.333404 0.666812 0.278867 Te\n0.333518 0.667036 0.114581 Mo\n0.666679 0.333359 0.343874 Mo\n0.333113 0.666229 0.582526 W\n0.666495 0.332992 0.525263 Se\n0.666399 0.332800 0.639696 Se\n0.666902 0.333806 0.062761 S\n0.666795 0.333591 0.166468 S\n",
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{
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{
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"created_at": "2022-09-04T14:35:47.230071Z",
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"structure_string": "Sr2 Ti2 Bi2 O1 F2\n1.0\n4.122653 -0.000000 0.000000\n-0.000000 4.122653 0.000000\n-2.061327 -2.061327 10.847176\nSr Ti Bi O F\n2 2 2 1 2\ndirect\n0.314797 0.314797 0.629596 Sr\n0.685202 0.685202 0.370405 Sr\n-0.000000 0.500000 -0.000000 Ti\n0.500000 -0.000000 -0.000000 Ti\n0.901766 0.901766 0.803535 Bi\n0.098233 0.098233 0.196465 Bi\n0.500000 0.500000 -0.000000 O\n0.749999 0.250000 0.500000 F\n0.250000 0.749999 0.500000 F\n",
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"density_atomic": 0.04881713168530675,
"volume": 184.36150771858786,
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"formula_full": "Sr2 Ti2 Bi2 O1 F2",
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{
"id": "jvasp-89957",
"created_at": "2022-09-04T14:35:41.981329Z",
"updated_at": "2022-09-04T14:35:41.981359Z",
"structure_string": "Sr2 Ti2 As2 O1 F2\n1.0\n4.053854 -0.000000 0.000000\n-0.000000 4.053854 0.000000\n-2.026928 -2.026928 9.748717\nSr Ti As O F\n2 2 2 1 2\ndirect\n0.323408 0.323408 0.646817 Sr\n0.676591 0.676591 0.353183 Sr\n-0.000000 0.499999 -0.000000 Ti\n0.499999 -0.000000 -0.000000 Ti\n0.907258 0.907258 0.814520 As\n0.092740 0.092740 0.185480 As\n0.499999 0.499999 -0.000000 O\n0.749999 0.250000 0.500000 F\n0.250000 0.749999 0.500000 F\n",
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"density_atomic": 0.056177038318987835,
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{
"id": "jvasp-90186",
"created_at": "2022-09-04T14:36:07.287408Z",
"updated_at": "2022-09-04T14:36:07.287429Z",
"structure_string": "Ba2 Co1 Cu2 S2 O2\n1.0\n3.947538 0.000000 0.000000\n0.000000 3.947538 0.000000\n-1.973769 -1.973769 10.040042\nBa Co Cu S O\n2 1 2 2 2\ndirect\n0.596358 0.596358 0.192715 Ba\n0.403642 0.403642 0.807285 Ba\n0.000000 0.000000 0.000000 Co\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.819615 0.819615 0.639230 S\n0.180385 0.180385 0.360770 S\n-0.000000 0.500000 -0.000000 O\n0.500000 -0.000000 -0.000000 O\n",
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"formula_full": "Ba2 Co1 Cu2 S2 O2",
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{
"id": "jvasp-90000",
"created_at": "2022-09-04T14:36:06.952003Z",
"updated_at": "2022-09-04T14:36:06.952013Z",
"structure_string": "Ba2 Mn2 Se2 O1 F2\n1.0\n4.286519 -0.000000 -0.000000\n-0.000000 4.286519 -0.000000\n-2.143259 -2.143259 9.817140\nBa Mn Se O F\n2 2 2 1 2\ndirect\n0.329683 0.329683 0.659365 Ba\n0.670317 0.670317 0.340635 Ba\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.907257 0.907257 0.814513 Se\n0.092743 0.092743 0.185487 Se\n0.500000 0.500000 0.000000 O\n0.750000 0.250000 0.500000 F\n0.250000 0.750000 0.500000 F\n",
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"formula_full": "Ba2 Mn2 Se2 O1 F2",
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{
"id": "jvasp-28568",
"created_at": "2022-09-04T14:36:07.971449Z",
"updated_at": "2022-09-04T14:36:07.971476Z",
"structure_string": "Te2 Mo2 W1 Se2 S2\n1.0\n3.360176 0.000000 0.000000\n-1.680088 2.906744 0.139395\n0.000000 0.994071 20.100819\nTe Mo W Se S\n2 2 1 2 2\ndirect\n0.586656 0.173309 0.588367 Te\n0.522620 0.045239 0.778807 Te\n0.441435 0.882870 0.020884 Mo\n0.670576 0.341153 0.336476 Mo\n0.221299 0.442599 0.683633 W\n0.309345 0.618691 0.419474 Se\n0.365142 0.730285 0.253468 Se\n0.800179 0.600358 0.945293 S\n0.749346 0.498691 0.096440 S\n",
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"elements": [
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"density_atomic": 0.04595059597994418,
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"formula_full": "Te2 Mo2 W1 Se2 S2",
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{
"id": "jvasp-8203",
"created_at": "2022-09-04T14:38:10.328735Z",
"updated_at": "2022-09-04T14:38:10.328762Z",
"structure_string": "Sr2 Zn1 Cu2 S2 O2\n1.0\n3.933326 -0.000000 -0.867737\n-0.191433 3.928664 -0.867737\n-0.004211 -0.004420 9.329369\nSr Zn Cu S O\n2 1 2 2 2\ndirect\n0.592247 0.592245 0.184491 Sr\n0.407755 0.407754 0.815509 Sr\n0.000000 0.000000 0.000000 Zn\n0.750001 0.250000 0.500000 Cu\n0.250001 0.749999 0.500000 Cu\n0.827658 0.827656 0.655313 S\n0.172344 0.172343 0.344686 S\n0.500001 -0.000000 -0.000000 O\n0.000000 0.499999 -0.000000 O\n",
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{
"id": "jvasp-54605",
"created_at": "2022-09-04T14:38:30.275625Z",
"updated_at": "2022-09-04T14:38:30.275642Z",
"structure_string": "Ba4 Zn2 Ag4 Se4 O4\n1.0\n0.000000 6.108202 0.019273\n6.108661 0.000000 0.000000\n0.000000 -3.022982 -10.060621\nBa Zn Ag Se O\n4 2 4 4 4\ndirect\n0.911723 0.500002 0.823446 Ba\n0.411723 -0.000002 0.823445 Ba\n0.588277 0.000002 0.176555 Ba\n0.088278 0.499998 0.176555 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.497019 0.250008 0.500006 Ag\n0.002982 0.750007 0.499994 Ag\n0.502981 0.749992 0.499994 Ag\n0.997019 0.249992 0.500006 Ag\n0.662530 0.499996 0.325046 Se\n0.162530 0.000004 0.325046 Se\n0.837470 -0.000004 0.674954 Se\n0.337470 0.500004 0.674954 Se\n0.717055 0.283032 0.000001 O\n0.217056 0.216968 0.000001 O\n0.782944 0.783032 -0.000000 O\n0.282944 0.716968 -0.000001 O\n",
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"formula_full": "Ba4 Zn2 Ag4 Se4 O4",
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"created_at": "2022-09-04T14:37:05.008152Z",
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"structure_string": "Ba2 Fe2 S2 O1 F2\n1.0\n4.019145 0.002279 -0.830363\n-0.173833 4.015262 -0.830722\n-0.011514 -0.011502 10.086259\nBa Fe S O F\n2 2 2 1 2\ndirect\n0.335103 0.335108 0.670208 Ba\n0.664887 0.664888 0.329795 Ba\n0.500040 0.999999 0.999998 Fe\n0.999997 0.500017 0.000002 Fe\n0.914558 0.914564 0.829094 S\n0.085430 0.085432 0.170907 S\n0.499994 0.499998 -0.000002 O\n0.750001 0.250001 0.500005 F\n0.249990 0.749995 0.499997 F\n",
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{
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"formula_full": "Sr2 Fe2 S2 O1 F2",
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