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{
"id": "jvasp-10559",
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"updated_at": "2022-09-04T14:37:11.698483Z",
"structure_string": "Ba2 Pr4 Pd2 O10\n1.0\n6.841182 0.000000 -0.000000\n-0.000000 6.841182 -0.000000\n0.000000 0.000000 5.966715\nBa Pr Pd O\n2 4 2 10\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.672693 0.172693 0.500000 Pr\n0.172693 0.327307 0.500000 Pr\n0.827307 0.672693 0.500000 Pr\n0.327307 0.827307 0.500000 Pr\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.640656 0.859344 0.751186 O\n0.140656 0.640656 0.751186 O\n0.640656 0.859344 0.248813 O\n0.359344 0.140656 0.248813 O\n0.500000 0.500000 0.500000 O\n0.140656 0.640656 0.248813 O\n0.000000 0.000000 0.500000 O\n0.859344 0.359344 0.751186 O\n0.859344 0.359344 0.248813 O\n0.359344 0.140656 0.751186 O\n",
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"structure_string": "Ba2 Pr4 S8\n1.0\n7.693070 -0.005609 -0.000144\n-2.569646 7.251110 0.000078\n-2.561830 -3.622725 6.284603\nBa Pr S\n2 4 8\ndirect\n0.625000 0.375002 0.250001 Ba\n0.875000 0.124999 0.749999 Ba\n0.125501 0.750001 0.875502 Pr\n0.249998 0.625498 0.375501 Pr\n0.374500 0.250000 0.624500 Pr\n0.750002 0.874502 0.124501 Pr\n0.144155 0.140427 0.160091 S\n0.355846 0.515935 0.996269 S\n0.640425 0.644155 0.660091 S\n0.484062 0.980334 0.839908 S\n0.480334 0.984066 0.339912 S\n0.015936 0.855846 0.496272 S\n0.859576 0.519667 0.003730 S\n0.019663 0.359573 0.503726 S\n",
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{
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"updated_at": "2022-09-04T14:36:18.190277Z",
"structure_string": "Ba2 Pr4 Ti6 O20\n1.0\n3.891955 0.000000 -0.531972\n0.000000 7.693880 0.000000\n-0.028034 0.000000 14.297834\nBa Pr Ti O\n2 4 6 20\ndirect\n0.261299 0.750000 0.514330 Ba\n0.746969 0.250000 0.485670 Ba\n0.576917 0.250000 0.145590 Pr\n0.431328 0.750000 0.854410 Pr\n0.424147 0.250000 0.840053 Pr\n0.584093 0.750000 0.159947 Pr\n0.004117 0.500000 0.000000 Ti\n0.004117 0.000000 0.000000 Ti\n0.857513 0.505327 0.706791 Ti\n0.857513 0.994673 0.706791 Ti\n0.150723 0.005327 0.293209 Ti\n0.150723 0.494673 0.293209 Ti\n0.635892 0.007327 0.263540 O\n0.127532 0.250000 0.246808 O\n0.150935 0.750000 0.293612 O\n0.937162 0.049290 0.866076 O\n0.796189 0.547320 0.584107 O\n0.071087 0.549290 0.133924 O\n0.372352 0.992673 0.736460 O\n0.937162 0.450710 0.866076 O\n0.504117 0.000000 0.000000 O\n0.988510 0.750000 0.968758 O\n0.880723 0.750000 0.753192 O\n0.019752 0.250000 0.031242 O\n0.635892 0.492673 0.263540 O\n0.071087 0.950710 0.133924 O\n0.504117 0.500000 0.000000 O\n0.372352 0.507327 0.736460 O\n0.212082 0.047320 0.415892 O\n0.796189 0.952680 0.584107 O\n0.212082 0.452680 0.415892 O\n0.857322 0.250000 0.706387 O\n",
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"formula_full": "Ba2 Pr4 Ti6 O20",
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{
"id": "jvasp-11440",
"created_at": "2022-09-04T14:37:19.470362Z",
"updated_at": "2022-09-04T14:37:19.470390Z",
"structure_string": "Ba2 Pr4 Zn2 S10\n1.0\n7.093634 0.000000 -3.547174\n-1.773766 6.868289 -3.547174\n-0.005708 -0.007370 8.855091\nBa Pr Zn S\n2 4 2 10\ndirect\n0.250000 0.250000 0.500000 Ba\n0.749999 0.750000 0.500000 Ba\n0.338682 0.161318 0.000000 Pr\n0.161317 0.661318 0.000000 Pr\n0.661317 0.838683 0.000000 Pr\n0.838682 0.338683 0.000000 Pr\n0.249999 0.750000 0.500000 Zn\n0.749999 0.250000 0.500000 Zn\n0.499999 0.500000 0.000000 S\n0.485026 0.985027 0.270102 S\n0.985026 0.785074 0.270102 S\n0.285073 0.485027 0.270102 S\n0.014973 0.214926 0.729898 S\n0.714925 0.514973 0.729899 S\n0.514973 0.014973 0.729899 S\n0.214926 0.714926 0.729899 S\n0.785073 0.285074 0.270102 S\n0.000000 0.000000 0.000000 S\n",
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"density_atomic": 0.04175761090292339,
"volume": 431.05914372940924,
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"formula_full": "Ba2 Pr4 Zn2 S10",
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{
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"created_at": "2022-09-04T14:36:03.846310Z",
"updated_at": "2022-09-04T14:36:03.846340Z",
"structure_string": "Ba2 Pt2\n1.0\n2.559343 -4.432912 -0.000000\n2.559343 4.432912 0.000000\n0.000000 0.000000 5.499031\nBa Pt\n2 2\ndirect\n0.666666 0.333332 0.750000 Ba\n0.333332 0.666666 0.250000 Ba\n0.000000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
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"spacegroup": 194
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{
"id": "jvasp-19816",
"created_at": "2022-09-04T14:35:50.480973Z",
"updated_at": "2022-09-04T14:35:50.480995Z",
"structure_string": "Ba2 Pt4\n1.0\n4.941827 -0.000000 2.853165\n1.647276 4.659200 2.853165\n-0.000000 -0.000000 5.706330\nBa Pt\n2 4\ndirect\n0.875001 0.875000 0.875001 Ba\n0.125000 0.125000 0.125000 Ba\n0.500001 0.500000 0.500000 Pt\n0.500001 0.500000 0.000001 Pt\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n",
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"formula_full": "Ba2 Pt4",
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{
"id": "jvasp-106671",
"created_at": "2022-09-04T14:36:44.483277Z",
"updated_at": "2022-09-04T14:36:44.483304Z",
"structure_string": "Ba2 Pu1 Zn1 O6\n1.0\n5.147008 -0.000000 2.971626\n1.715669 4.852645 2.971626\n-0.000000 -0.000000 5.943252\nBa Pu Zn O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750001 0.750000 Ba\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 Zn\n0.746977 0.253024 0.253024 O\n0.253023 0.746977 0.746977 O\n0.253023 0.746977 0.253024 O\n0.746977 0.253024 0.746977 O\n0.253024 0.253024 0.746976 O\n0.746977 0.746977 0.253024 O\n",
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"created_at": "2022-09-04T14:37:07.834861Z",
"updated_at": "2022-09-04T14:37:07.834870Z",
"structure_string": "Ba2 Re2 H18\n1.0\n2.598553 -4.500827 -0.000000\n2.598553 4.500827 0.000000\n-0.000000 0.000000 9.721414\nBa Re H\n2 2 18\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.333332 0.666667 0.750000 Re\n0.666667 0.333332 0.250000 Re\n0.530739 0.469260 0.125468 H\n0.469260 0.938520 0.874531 H\n0.061478 0.530739 0.874531 H\n0.938520 0.469260 0.374531 H\n0.530739 0.061478 0.374531 H\n0.469260 0.530739 0.874531 H\n0.853114 0.146885 0.250000 H\n0.146886 0.293772 0.750000 H\n0.293772 0.146886 0.250000 H\n0.530739 0.061478 0.125468 H\n0.853113 0.706227 0.250000 H\n0.146885 0.853114 0.750000 H\n0.938520 0.469260 0.125468 H\n0.061478 0.530739 0.625468 H\n0.469260 0.530739 0.625468 H\n0.469260 0.938520 0.625468 H\n0.706227 0.853113 0.750000 H\n0.530739 0.469260 0.374531 H\n",
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{
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"structure_string": "Ba2 Rh4\n1.0\n4.866273 -0.000000 2.809544\n1.622092 4.587965 2.809544\n-0.000000 0.000000 5.619087\nBa Rh\n2 4\ndirect\n0.375000 0.375000 0.375000 Ba\n0.624999 0.625001 0.625000 Ba\n-0.000000 0.500001 -0.000000 Rh\n0.500000 0.000000 -0.000000 Rh\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
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{
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"structure_string": "Ba2 Ru1 N2\n1.0\n3.994779 0.000000 -1.209985\n-0.366345 3.978140 -1.209491\n-0.001665 -0.002763 7.193900\nBa Ru N\n2 1 2\ndirect\n0.860649 0.860648 0.221297 Ba\n0.139353 0.139353 0.778703 Ba\n0.500001 0.500000 0.500000 Ru\n0.361294 0.361294 0.222587 N\n0.638708 0.638707 0.777413 N\n",
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{
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"created_at": "2022-09-04T14:37:41.252048Z",
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"structure_string": "Ba2 Ru1 O4\n1.0\n3.997064 0.000000 0.000000\n-0.000000 3.997064 -0.000000\n-1.998532 -1.998532 6.784701\nBa Ru O\n2 1 4\ndirect\n0.354065 0.354065 0.708130 Ba\n0.645935 0.645935 0.291870 Ba\n0.000000 0.000000 0.000000 Ru\n0.154086 0.154086 0.308172 O\n0.845913 0.845913 0.691828 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
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{
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"structure_string": "Ba2 Ru7 O18\n1.0\n6.793776 0.004341 -0.007076\n-3.103582 6.463235 -0.000196\n-0.618135 -0.788338 7.507029\nBa Ru O\n2 7 18\ndirect\n0.317766 0.685540 0.623920 Ba\n0.682235 0.314458 0.376079 Ba\n0.825576 0.619230 0.800746 Ru\n0.000000 -0.000000 0.500000 Ru\n0.613752 0.724931 0.115493 Ru\n0.174425 0.380768 0.199253 Ru\n0.800611 0.125306 0.815383 Ru\n0.386249 0.275068 0.884506 Ru\n0.199390 0.874693 0.184616 Ru\n0.081624 0.269715 0.419088 O\n0.508786 0.089276 0.834436 O\n0.084774 0.767045 0.949831 O\n0.904943 0.869272 0.249378 O\n0.093833 0.599776 0.269437 O\n0.724579 0.000128 0.570249 O\n0.095058 0.130727 0.750621 O\n0.677313 0.487700 0.015111 O\n0.491215 0.910723 0.165563 O\n0.714941 0.832341 0.885318 O\n0.906168 0.400223 0.730562 O\n0.275422 0.999870 0.429750 O\n0.474573 0.558114 0.306295 O\n0.322688 0.512298 0.984888 O\n0.285060 0.167657 0.114681 O\n0.918377 0.730284 0.580911 O\n0.915227 0.232954 0.050168 O\n0.525428 0.441885 0.693704 O\n",
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]
}