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{
"id": "jvasp-65015",
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"structure_string": "Be1 Tl1 Cl4\n1.0\n0.000000 4.283434 4.283434\n4.283434 0.000000 4.283434\n4.283434 4.283434 -0.000000\nBe Tl Cl\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Tl\n0.124841 0.625052 0.625052 Cl\n0.625052 0.625052 0.625052 Cl\n0.625052 0.124841 0.625052 Cl\n0.625052 0.625052 0.124841 Cl\n",
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{
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"structure_string": "Mn1 Cu2 Cl4\n1.0\n3.337100 -0.000000 1.926676\n2.182345 5.924935 3.926770\n0.159140 0.202449 7.431061\nMn Cu Cl\n1 2 4\ndirect\n0.499999 0.775266 0.724734 Mn\n0.313613 0.117933 0.068454 Cu\n0.686387 0.431545 0.382068 Cu\n0.038405 0.007602 -0.046008 Cl\n-0.000000 0.526916 0.973084 Cl\n-0.000000 0.024729 0.475271 Cl\n0.961595 0.546008 0.492399 Cl\n",
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{
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"created_at": "2022-09-04T14:35:52.424946Z",
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"structure_string": "Mg6 Cr1 Bi1\n1.0\n6.367033 -0.003287 0.000000\n-3.186363 5.518942 0.000000\n0.000000 0.000000 5.124777\nMg Cr Bi\n6 1 1\ndirect\n0.668832 0.331177 0.250000 Mg\n0.668833 0.837654 0.250000 Mg\n0.335316 0.182980 0.750000 Mg\n0.335316 0.652336 0.750000 Mg\n0.842548 0.171275 0.750000 Mg\n0.817654 0.658828 0.750000 Mg\n0.167451 0.333725 0.250000 Cr\n0.164043 0.832021 0.250000 Bi\n",
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{
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"created_at": "2022-09-04T14:36:36.407598Z",
"updated_at": "2022-09-04T14:36:36.407620Z",
"structure_string": "Zr1 S2\n1.0\n1.840392 -3.187651 0.000000\n1.840392 3.187651 -0.000000\n-0.000000 0.000000 5.859557\nZr S\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.751909 S\n0.333333 0.666667 0.248092 S\n",
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{
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"created_at": "2022-09-04T14:38:33.417231Z",
"updated_at": "2022-09-04T14:38:33.417248Z",
"structure_string": "K2 Ni2 As2 O8\n1.0\n4.859726 -0.000883 8.767925\n2.266687 4.298728 8.767925\n-0.001464 -0.000883 10.024642\nK Ni As O\n2 2 2 8\ndirect\n0.711246 0.711247 0.711242 K\n0.288755 0.288755 0.288754 K\n0.165391 0.165391 0.165390 Ni\n0.834611 0.834611 0.834606 Ni\n0.560439 0.560439 0.560436 As\n0.439563 0.439563 0.439560 As\n0.876164 0.536779 0.212177 O\n0.212180 0.876165 0.536776 O\n0.380435 0.380435 0.380433 O\n0.463222 0.787821 0.123834 O\n0.123837 0.463223 0.787819 O\n0.536779 0.212181 0.876161 O\n0.787821 0.123837 0.463220 O\n0.619567 0.619567 0.619563 O\n",
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{
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"created_at": "2022-09-04T14:35:51.765220Z",
"updated_at": "2022-09-04T14:35:51.765244Z",
"structure_string": "Sm1 Mg3\n1.0\n4.494111 0.000000 2.594676\n1.498037 4.237089 2.594676\n0.000000 0.000000 5.189353\nSm Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750001 Mg\n",
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"elements": [
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{
"id": "jvasp-57785",
"created_at": "2022-09-04T14:37:27.828116Z",
"updated_at": "2022-09-04T14:37:27.828142Z",
"structure_string": "Rb2 Al2 F8\n1.0\n5.137003 0.000000 0.000000\n0.000000 5.137003 -0.000000\n0.000000 -0.000000 6.320860\nRb Al F\n2 2 8\ndirect\n0.500000 0.000000 0.500000 Rb\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.282180 F\n0.000000 0.000000 0.717820 F\n0.500000 0.500000 0.717820 F\n0.000000 0.000000 0.282180 F\n0.200058 0.700058 0.000000 F\n0.299942 0.200058 0.000000 F\n0.700058 0.799941 0.000000 F\n0.799941 0.299942 0.000000 F\n",
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"density": 3.7520030322000024,
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{
"id": "jvasp-119224",
"created_at": "2022-09-04T14:38:26.497312Z",
"updated_at": "2022-09-04T14:38:26.497323Z",
"structure_string": "Ca14 Hf2 N12\n1.0\n5.973296 0.000000 2.172509\n2.689923 8.673306 1.902095\n0.007327 -0.031221 9.277869\nCa Hf N\n14 2 12\ndirect\n0.280873 0.957217 0.042784 Ca\n0.250000 0.250000 0.250000 Ca\n0.007425 0.650686 0.104554 Ca\n0.237336 0.104554 0.650685 Ca\n0.492575 0.395447 0.849315 Ca\n0.262664 0.849315 0.395447 Ca\n0.992575 0.349315 0.895447 Ca\n0.750000 0.750000 0.750000 Ca\n0.507425 0.604554 0.150686 Ca\n0.737336 0.150686 0.604553 Ca\n0.780874 0.542784 0.457217 Ca\n0.219126 0.457217 0.542784 Ca\n0.719127 0.042784 0.957216 Ca\n0.762664 0.895447 0.349315 Ca\n0.750000 0.250000 0.250000 Hf\n0.250000 0.750000 0.750000 Hf\n0.119901 0.656593 0.343408 N\n0.880100 0.343407 0.656593 N\n0.129117 0.563611 0.780474 N\n0.526799 0.780474 0.563611 N\n0.370883 0.719527 0.936390 N\n0.629117 0.280474 0.063610 N\n0.870883 0.436390 0.219527 N\n0.473201 0.219527 0.436390 N\n0.026799 0.063610 0.280474 N\n0.619901 0.843408 0.156593 N\n0.973201 0.936390 0.719527 N\n0.380100 0.156593 0.843407 N\n",
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{
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"created_at": "2022-09-04T14:38:29.398283Z",
"updated_at": "2022-09-04T14:38:29.398294Z",
"structure_string": "Rb2 Na2 Ti2 O6\n1.0\n5.572901 0.044293 0.142124\n0.259858 5.191380 2.793718\n0.026897 -0.010361 6.249093\nRb Na Ti O\n2 2 2 6\ndirect\n0.250000 0.266694 0.466610 Rb\n0.750000 0.733305 0.533390 Rb\n0.250001 0.575718 0.848563 Na\n0.750000 0.424282 0.151436 Na\n0.750000 0.051855 0.896290 Ti\n0.250000 0.948145 0.103710 Ti\n0.002165 0.227106 0.976056 O\n0.497836 0.796838 0.976056 O\n0.750000 0.212975 0.574049 O\n0.997835 0.772894 0.023944 O\n0.502165 0.203161 0.023944 O\n0.250000 0.787024 0.425951 O\n",
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{
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"created_at": "2022-09-04T14:35:57.559639Z",
"updated_at": "2022-09-04T14:35:57.559665Z",
"structure_string": "Sc1 Be2 Br1\n1.0\n-1.944624 1.944624 4.180881\n1.944624 -1.944624 4.180881\n1.944624 1.944624 -4.180881\nSc Be Br\n1 2 1\ndirect\n0.749999 0.250000 0.499999 Sc\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Br\n",
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{
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"created_at": "2022-09-04T14:35:44.456967Z",
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"structure_string": "Ba1 Mg1 C2 O4\n1.0\n3.517213 2.607048 -0.960767\n-3.517213 2.607048 0.960767\n0.266880 -2.607048 5.952439\nBa Mg C O\n1 1 2 4\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 -0.000000 Mg\n0.084460 0.230177 0.814636 C\n0.915541 0.769824 0.185364 C\n0.243213 0.895316 0.216620 O\n0.178697 0.526594 0.783381 O\n0.756787 0.104684 0.783380 O\n0.821304 0.473406 0.216619 O\n",
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