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{
"id": "jvasp-74849",
"created_at": "2022-09-04T14:35:49.326329Z",
"updated_at": "2022-09-04T14:35:49.326362Z",
"structure_string": "Be2 Zn1 P1\n1.0\n2.602956 0.000000 -0.000000\n0.000000 2.602956 0.000000\n0.000000 0.000000 6.946491\nBe Zn P\n2 1 1\ndirect\n0.000000 0.000000 0.744581 Be\n0.000000 0.000000 0.255419 Be\n0.500001 0.500001 0.500000 Zn\n0.500001 0.500001 0.000000 P\n",
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{
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"structure_string": "Be1 Br3\n1.0\n5.053283 -0.199104 0.664534\n1.252689 -5.580488 0.661743\n0.908522 0.175351 -3.560296\nBe Br\n1 3\ndirect\n0.452298 0.300085 0.074446 Be\n0.808560 -0.006976 0.951650 Br\n0.179524 0.310664 0.629705 Br\n0.501887 0.648892 0.262877 Br\n",
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{
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"structure_string": "H1 Pd1 Cl2\n1.0\n3.888851 0.000000 -0.000000\n0.000000 3.888851 0.000000\n-0.000000 0.000000 4.851023\nH Pd Cl\n1 1 2\ndirect\n0.500000 0.500000 0.666801 H\n0.000000 0.000000 0.952458 Pd\n0.000000 0.000000 0.453571 Cl\n0.500000 0.500000 0.937168 Cl\n",
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{
"id": "jvasp-37685",
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"structure_string": "Sr6 Tm2\n1.0\n3.982975 -6.898714 0.000000\n3.982975 6.898714 0.000000\n0.000000 0.000000 6.464576\nSr Tm\n6 2\ndirect\n0.171594 0.828404 0.750001 Sr\n0.656809 0.828404 0.750001 Sr\n0.171595 0.343189 0.750001 Sr\n0.828404 0.171594 0.250000 Sr\n0.343189 0.171595 0.250000 Sr\n0.828404 0.656809 0.250000 Sr\n0.333333 0.666666 0.250000 Tm\n0.666666 0.333333 0.750001 Tm\n",
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"volume": 355.2595509065853,
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{
"id": "jvasp-71192",
"created_at": "2022-09-04T14:36:12.509764Z",
"updated_at": "2022-09-04T14:36:12.509799Z",
"structure_string": "Li1 Be1 Se2\n1.0\n3.388605 0.000000 0.000000\n0.000000 3.388605 0.000000\n-0.000000 0.000000 6.229144\nLi Be Se\n1 1 2\ndirect\n0.499999 0.499999 0.771985 Li\n0.000000 0.000000 0.502331 Be\n0.000000 0.000000 0.856547 Se\n0.499999 0.499999 0.369135 Se\n",
"nsites": 4,
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"density": 4.036560204376886,
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"formula_full": "Li1 Be1 Se2",
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{
"id": "jvasp-45240",
"created_at": "2022-09-04T14:38:02.022163Z",
"updated_at": "2022-09-04T14:38:02.022177Z",
"structure_string": "Li4 Fe4 O12\n1.0\n4.756230 0.000000 0.000000\n0.000000 4.805587 0.000000\n0.000000 0.000000 7.975651\nLi Fe O\n4 4 12\ndirect\n0.000000 0.000000 0.298089 Li\n0.500000 0.000000 0.187795 Li\n0.000000 0.500000 0.687795 Li\n0.500000 0.500000 0.798089 Li\n0.000000 0.000000 0.898174 Fe\n0.500000 0.000000 0.587714 Fe\n0.000000 0.500000 0.087714 Fe\n0.500000 0.500000 0.398174 Fe\n0.201298 0.177718 0.071172 O\n0.701298 0.322282 0.571172 O\n0.798699 0.322282 0.914722 O\n0.750000 0.348527 0.242947 O\n0.250000 0.651474 0.242947 O\n0.701301 0.822282 0.414722 O\n0.298702 0.677718 0.571172 O\n0.798702 0.822282 0.071172 O\n0.298699 0.177718 0.414722 O\n0.750000 0.848527 0.742947 O\n0.201301 0.677718 0.914722 O\n0.250000 0.151474 0.742947 O\n",
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"volume": 182.2952840962189,
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"formula_full": "Li4 Fe4 O12",
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{
"id": "jvasp-9248",
"created_at": "2022-09-04T14:38:10.235175Z",
"updated_at": "2022-09-04T14:38:10.235205Z",
"structure_string": "Ca4 Sn4 O8\n1.0\n3.487412 -0.116992 0.204891\n1.447712 8.758904 -0.154358\n2.068566 0.173481 10.335751\nCa Sn O\n4 4 8\ndirect\n0.147447 0.145542 0.065044 Ca\n0.849352 0.882965 0.914468 Ca\n0.024630 0.206930 0.728112 Ca\n-0.027651 0.821573 0.251404 Ca\n0.648322 0.485834 0.151884 Sn\n0.123071 0.193888 0.386651 Sn\n0.873847 0.834617 0.592866 Sn\n0.348630 0.542663 0.827624 Sn\n0.849009 0.677918 0.747946 O\n0.511340 0.665801 0.272136 O\n0.485658 0.362705 0.707361 O\n0.147934 0.350577 0.231564 O\n0.243919 0.886965 0.048020 O\n0.732063 0.085044 0.292718 O\n0.752878 0.141542 0.931489 O\n0.264872 0.943458 0.686802 O\n",
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"volume": 313.93537095607866,
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"formula_full": "Ca4 Sn4 O8",
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{
"id": "jvasp-90220",
"created_at": "2022-09-04T14:36:15.865752Z",
"updated_at": "2022-09-04T14:36:15.865771Z",
"structure_string": "Ba2 N1 O6\n1.0\n0.000000 0.000000 -3.912548\n-3.416811 -5.918091 0.000000\n-3.416947 5.918169 0.000000\nBa N O\n2 1 6\ndirect\n0.000000 0.333325 0.666671 Ba\n0.000000 0.666653 0.333330 Ba\n0.000000 -0.000010 0.000000 N\n0.000000 0.814532 -0.000000 O\n0.000000 0.185447 0.185457 O\n0.000000 -0.000010 0.814544 O\n0.500000 0.469535 -0.000000 O\n0.500000 0.530438 0.530448 O\n0.500000 0.999989 0.469552 O\n",
"nsites": 9,
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"formula_full": "Ba2 N1 O6",
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{
"id": "jvasp-49833",
"created_at": "2022-09-04T14:37:13.003204Z",
"updated_at": "2022-09-04T14:37:13.003218Z",
"structure_string": "Sr1 Ca2 I6\n1.0\n3.931942 -6.810323 0.000000\n3.931942 6.810323 -0.000000\n0.000000 0.000000 7.137323\nSr Ca I\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.500000 Ca\n0.333333 0.666667 0.500000 Ca\n0.650549 0.650549 0.749285 I\n0.349451 0.349451 0.250714 I\n0.349451 0.000000 0.749285 I\n0.650549 0.000000 0.250714 I\n0.000000 0.650549 0.250714 I\n0.000000 0.349451 0.749285 I\n",
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"volume": 382.24354481752897,
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"formula_full": "Sr1 Ca2 I6",
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},
{
"id": "jvasp-92605",
"created_at": "2022-09-04T14:36:03.843448Z",
"updated_at": "2022-09-04T14:36:03.843476Z",
"structure_string": "K1 Cu1 F3\n1.0\n4.033796 0.000000 0.000000\n0.000000 4.034793 0.000000\n0.000000 0.000000 4.034793\nK Cu F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.000000 0.500000 0.000000 F\n",
"nsites": 5,
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{
"id": "jvasp-98305",
"created_at": "2022-09-04T14:36:11.829666Z",
"updated_at": "2022-09-04T14:36:11.829692Z",
"structure_string": "K8 Mn4 Sn4 Se16\n1.0\n8.257138 -0.000000 0.000000\n-0.000000 10.635922 0.000000\n0.000000 0.000000 10.635922\nK Mn Sn Se\n8 4 4 16\ndirect\n0.750000 0.252700 0.247300 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.750000 0.747300 0.752699 K\n0.250000 0.000000 0.500000 K\n0.750000 0.500000 0.000000 K\n0.250000 0.247300 0.747300 K\n0.250000 0.752699 0.252700 K\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.750000 0.000000 0.500000 Mn\n0.250000 0.500000 0.000000 Mn\n0.750000 0.221512 0.721511 Sn\n0.750000 0.778488 0.278488 Sn\n0.250000 0.278488 0.221512 Sn\n0.250000 0.721511 0.778488 Sn\n0.395449 0.937216 0.788043 Se\n0.895450 0.437216 0.711956 Se\n0.895450 0.562784 0.288044 Se\n0.568085 0.194877 0.525304 Se\n0.604551 0.788043 0.062784 Se\n0.604551 0.211956 0.937216 Se\n0.568085 0.805123 0.474696 Se\n0.431915 0.525304 0.805123 Se\n0.931915 0.025304 0.694877 Se\n0.104551 0.711956 0.562784 Se\n0.431915 0.474696 0.194877 Se\n0.931915 0.974696 0.305123 Se\n0.104551 0.288044 0.437216 Se\n0.068085 0.305123 0.025304 Se\n0.068085 0.694877 0.974696 Se\n0.395449 0.062784 0.211956 Se\n",
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{
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"structure_string": "Li16 Tb4 F32\n1.0\n5.735732 0.000000 -0.000000\n0.000000 9.866378 0.000000\n0.000000 0.000000 9.846700\nTb Li F\n4 16 32\ndirect\n0.863929 0.365408 0.750000 Tb\n0.636070 0.865408 0.750000 Tb\n0.136071 0.634592 0.250000 Tb\n0.363929 0.134592 0.250000 Tb\n0.632833 0.397049 0.419980 Li\n0.132833 0.102951 0.580020 Li\n0.867167 0.897049 0.080020 Li\n0.367167 0.602951 0.919980 Li\n0.367167 0.602951 0.580020 Li\n0.867167 0.897049 0.419980 Li\n0.119382 0.369548 0.058909 Li\n0.632833 0.397049 0.080020 Li\n0.119382 0.369548 0.441091 Li\n0.619381 0.130452 0.558909 Li\n0.380618 0.869548 0.058909 Li\n0.880618 0.630452 0.941091 Li\n0.880618 0.630452 0.558909 Li\n0.380618 0.869548 0.441091 Li\n0.619381 0.130452 0.941091 Li\n0.132833 0.102951 0.919980 Li\n0.863297 0.266441 0.528402 F\n0.136703 0.733559 0.028402 F\n0.636702 0.766441 0.971598 F\n0.636702 0.766441 0.528402 F\n0.136703 0.733559 0.471598 F\n0.863297 0.266441 0.971598 F\n0.886654 0.691291 0.750000 F\n0.113346 0.308709 0.250000 F\n0.613345 0.191291 0.750000 F\n0.386654 0.808709 0.250000 F\n0.627569 0.301766 0.250000 F\n0.127569 0.198235 0.750000 F\n0.363297 0.233559 0.471598 F\n0.363297 0.233559 0.028402 F\n0.613215 0.019525 0.386582 F\n0.366641 0.511877 0.110499 F\n0.886784 0.519525 0.113418 F\n0.386785 0.980475 0.886582 F\n0.386785 0.980475 0.613418 F\n0.886784 0.519525 0.386582 F\n0.113215 0.480475 0.886582 F\n0.613215 0.019525 0.113418 F\n0.133358 0.011877 0.389501 F\n0.633358 0.488123 0.610499 F\n0.872430 0.801766 0.250000 F\n0.866641 0.988123 0.889501 F\n0.866641 0.988123 0.610499 F\n0.366641 0.511877 0.389501 F\n0.633358 0.488123 0.889501 F\n0.133358 0.011877 0.110499 F\n0.113215 0.480475 0.613418 F\n0.372431 0.698235 0.750000 F\n",
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]
}