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{
"id": "jvasp-35509",
"created_at": "2022-09-04T14:37:39.270082Z",
"updated_at": "2022-09-04T14:37:39.270102Z",
"structure_string": "Er2 Fe2 Si2 C1\n1.0\n0.000000 -3.895169 -0.000000\n4.072676 -1.947585 -3.330138\n4.058194 -1.947585 3.354252\nEr Fe Si C\n2 2 2 1\ndirect\n0.440481 0.826453 0.292588 Er\n0.559521 0.173547 0.707411 Er\n0.798527 0.306622 0.096325 Fe\n0.201475 0.693378 0.903675 Fe\n0.839544 0.608533 0.712382 Si\n0.160458 0.391467 0.287617 Si\n0.000000 0.000000 0.000000 C\n",
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{
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"structure_string": "Dy1 Bi2 Br1 O4\n1.0\n3.908639 0.000000 0.000000\n0.000000 3.908639 -0.000000\n0.000000 -0.000000 9.232082\nDy Bi Br O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.728813 Bi\n0.500000 0.500000 0.271187 Bi\n0.000000 0.000000 0.500000 Br\n0.500000 0.000000 0.148933 O\n0.500000 0.000000 0.851067 O\n0.000000 0.500000 0.148933 O\n0.000000 0.500000 0.851067 O\n",
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{
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"created_at": "2022-09-04T14:37:48.930561Z",
"updated_at": "2022-09-04T14:37:48.930587Z",
"structure_string": "Li4 V7 O9 F7\n1.0\n-4.185951 4.169216 -0.034415\n4.185951 -0.034415 4.169216\n4.252044 8.440650 -4.305850\nLi V O F\n4 7 9 7\ndirect\n0.988619 0.007646 0.003739 Li\n0.263617 0.613397 0.122990 Li\n0.263194 0.122421 0.614387 Li\n0.980922 0.513031 0.506049 Li\n0.628710 0.296143 0.075150 V\n0.100047 0.056022 0.306048 V\n0.649274 0.051104 0.802269 V\n0.637931 0.593907 0.306048 V\n0.624086 0.569552 0.806365 V\n0.614390 0.817090 0.568523 V\n0.146629 0.548458 0.802269 V\n0.390118 0.688867 0.921018 O\n0.381474 0.921746 0.696783 O\n0.393988 0.456558 0.686006 O\n0.857439 0.920009 0.686006 O\n0.850158 0.714713 0.435133 O\n0.391999 0.415308 0.192695 O\n0.861357 0.207159 0.931486 O\n0.857007 0.430320 0.712676 O\n0.880006 0.925560 0.194438 O\n0.379100 0.684203 0.440578 F\n0.875221 0.180324 0.440578 F\n0.869601 0.447823 0.193826 F\n0.366948 0.210707 0.422347 F\n0.869653 0.666671 0.938134 F\n0.395197 0.192215 0.938134 F\n0.358354 0.936574 0.193826 F\n",
"nsites": 27,
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{
"id": "jvasp-109856",
"created_at": "2022-09-04T14:37:51.214904Z",
"updated_at": "2022-09-04T14:37:51.214923Z",
"structure_string": "K2 Ga1 Ag1 Cl6\n1.0\n6.174859 -0.000000 3.565057\n2.058286 5.821713 3.565057\n-0.000000 -0.000000 7.130113\nK Ga Ag Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.762973 0.237027 0.237027 Cl\n0.237027 0.237027 0.762973 Cl\n0.237028 0.762973 0.762973 Cl\n0.237028 0.762973 0.237027 Cl\n0.762973 0.237027 0.762973 Cl\n0.762974 0.762973 0.237027 Cl\n",
"nsites": 10,
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"elements": [
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"volume": 256.31513394605093,
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"formula_full": "K2 Ga1 Ag1 Cl6",
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{
"id": "jvasp-25577",
"created_at": "2022-09-04T14:37:48.868938Z",
"updated_at": "2022-09-04T14:37:48.868959Z",
"structure_string": "K4 Li2 B2 O6\n1.0\n5.234475 -0.008878 0.970338\n1.709895 4.947329 0.970338\n0.027049 0.019236 7.336679\nK Li B O\n4 2 2 6\ndirect\n0.840388 0.507740 0.323393 K\n0.164360 0.835641 0.500000 K\n0.999553 0.000448 0.000000 K\n0.492261 0.159614 0.676608 K\n0.269301 0.460058 0.967381 Li\n0.539944 0.730700 0.032619 Li\n0.489884 0.213104 0.217224 B\n0.786898 0.510117 0.782776 B\n0.369916 0.495713 0.212617 O\n0.504288 0.630086 0.787384 O\n0.676966 0.060074 0.335283 O\n0.905465 0.577939 0.914630 O\n0.422063 0.094536 0.085370 O\n0.939928 0.323035 0.664717 O\n",
"nsites": 14,
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"formula_full": "K4 Li2 B2 O6",
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{
"id": "jvasp-44427",
"created_at": "2022-09-04T14:38:01.762264Z",
"updated_at": "2022-09-04T14:38:01.762284Z",
"structure_string": "Li4 Mn6 Ni2 O16\n1.0\n2.849265 -4.935071 -0.000000\n2.849265 4.935071 0.000000\n-0.000000 -0.000000 9.432695\nLi Mn Ni O\n4 6 2 16\ndirect\n0.333332 0.666666 0.105457 Li\n0.000000 0.000000 0.001808 Li\n0.000000 0.000000 0.501808 Li\n0.666666 0.333332 0.605457 Li\n0.831362 0.168637 0.285731 Mn\n0.337276 0.168637 0.285731 Mn\n0.831361 0.662723 0.285731 Mn\n0.168637 0.831362 0.785731 Mn\n0.168637 0.337276 0.785731 Mn\n0.662723 0.831361 0.785731 Mn\n0.333332 0.666666 0.509888 Ni\n0.666666 0.333332 0.009887 Ni\n0.318829 0.159415 0.896025 O\n0.840584 0.159414 0.896025 O\n0.666666 0.333332 0.393204 O\n0.517187 0.482811 0.168067 O\n0.517187 0.034375 0.168067 O\n0.681170 0.840584 0.396025 O\n0.482811 0.965623 0.668067 O\n0.034375 0.517187 0.668067 O\n0.159414 0.840584 0.396025 O\n0.000000 0.000000 0.186249 O\n0.000000 0.000000 0.686249 O\n0.333332 0.666666 0.893204 O\n0.965623 0.482811 0.168067 O\n0.159415 0.318829 0.396025 O\n0.482811 0.517187 0.668067 O\n0.840584 0.681170 0.896025 O\n",
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"density_atomic": 0.105551885388891,
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"formula_full": "Li4 Mn6 Ni2 O16",
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{
"id": "jvasp-56458",
"created_at": "2022-09-04T14:37:39.321331Z",
"updated_at": "2022-09-04T14:37:39.321347Z",
"structure_string": "Ba4 Ga2 Ge2 N2\n1.0\n0.000000 7.286317 0.004337\n4.224644 0.000000 0.000000\n0.000000 -3.032424 -8.872536\nBa Ga Ge N\n4 2 2 2\ndirect\n0.809661 0.749999 0.617906 Ba\n0.794539 0.749999 0.037725 Ba\n0.190340 0.250000 0.382094 Ba\n0.205462 0.250000 0.962276 Ba\n0.538146 0.250000 0.753935 Ga\n0.461855 0.749999 0.246065 Ga\n0.663818 0.250000 0.298639 Ge\n0.336182 0.749999 0.701362 Ge\n0.815195 0.250000 0.828312 N\n0.184806 0.749999 0.171688 N\n",
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"formula_full": "Ba4 Ga2 Ge2 N2",
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"formula_anonymous": "ABCD2",
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},
{
"id": "jvasp-26369",
"created_at": "2022-09-04T14:37:48.709621Z",
"updated_at": "2022-09-04T14:37:48.709648Z",
"structure_string": "Ba2 Ca1 B2 O6\n1.0\n4.997825 0.000036 2.266421\n1.972899 4.708183 2.293202\n0.029529 0.023786 6.578477\nBa Ca B O\n2 1 2 6\ndirect\n0.211976 0.260651 0.315394 Ba\n0.788022 0.739350 0.684605 Ba\n0.000000 -0.000000 -0.000000 Ca\n0.562884 0.628970 0.245260 B\n0.437114 0.371031 0.754739 B\n0.722738 0.378661 0.175862 O\n0.736534 0.238518 0.726642 O\n0.701699 0.761496 0.273334 O\n0.277261 0.621340 0.824137 O\n0.298300 0.238505 0.726666 O\n0.263465 0.761483 0.273357 O\n",
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{
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"created_at": "2022-09-04T14:37:39.326258Z",
"updated_at": "2022-09-04T14:37:39.326284Z",
"structure_string": "K2 Na2 Th2 F12\n1.0\n3.160307 -5.473812 -0.000000\n3.160307 5.473812 0.000000\n-0.000000 0.000000 7.862687\nK Na Th F\n2 2 2 12\ndirect\n0.333334 0.666667 0.390371 K\n0.666667 0.333334 0.609629 K\n0.000000 0.000000 0.236524 Na\n0.000000 0.000000 0.763477 Na\n0.666667 0.333334 0.123900 Th\n0.333334 0.666667 0.876100 Th\n0.612683 0.690293 0.098680 F\n0.724147 0.104799 0.326860 F\n0.690293 0.077611 0.901320 F\n0.387318 0.309708 0.901320 F\n0.619349 0.724148 0.673140 F\n0.077611 0.387318 0.098680 F\n0.922390 0.612683 0.901320 F\n0.895202 0.619350 0.326860 F\n0.309708 0.922390 0.098680 F\n0.380652 0.275853 0.326860 F\n0.275854 0.895202 0.673140 F\n0.104799 0.380651 0.673140 F\n",
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{
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"structure_string": "Ce3 Ni2 B2 N3\n1.0\n3.526872 0.000000 -0.613309\n-0.106652 3.525259 -0.613309\n-0.006854 -0.007065 10.407994\nCe Ni B N\n3 2 2 3\ndirect\n0.626516 0.626515 0.253031 Ce\n0.373485 0.373484 0.746968 Ce\n0.000000 0.000000 0.000000 Ce\n0.250001 0.750000 0.500000 Ni\n0.750000 0.249999 0.500000 Ni\n0.808549 0.808548 0.617096 B\n0.191452 0.191451 0.382904 B\n0.880971 0.880969 0.761940 N\n0.500000 0.500000 -0.000000 N\n0.119030 0.119030 0.238060 N\n",
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{
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"structure_string": "Li1 Mg1 Sb1 Pt1\n1.0\n4.003363 0.000000 2.311343\n1.334454 3.774407 2.311343\n0.000000 0.000000 4.622686\nLi Mg Sb Pt\n1 1 1 1\ndirect\n0.749998 0.750001 0.750000 Li\n0.499999 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sb\n0.249999 0.250000 0.250000 Pt\n",
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},
{
"id": "jvasp-3750",
"created_at": "2022-09-04T14:37:51.272628Z",
"updated_at": "2022-09-04T14:37:51.272642Z",
"structure_string": "Mn1 H4 Br2 O2\n1.0\n3.865717 -0.008647 -0.344296\n-0.598040 5.751040 -0.806721\n-0.020616 0.042406 5.839366\nMn H Br O\n1 4 2 2\ndirect\n-0.000007 -0.000006 -0.000013 Mn\n0.845399 0.226056 0.613386 H\n0.154585 0.386987 0.774320 H\n0.845412 0.613013 0.225675 H\n0.154599 0.773948 0.386617 H\n0.445106 0.750728 0.750456 Br\n0.554902 0.249274 0.249563 Br\n0.000159 0.759681 0.239818 O\n0.999848 0.240322 0.760180 O\n",
"nsites": 9,
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}
]
}