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{
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{
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{
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"created_at": "2022-09-04T14:37:19.286789Z",
"updated_at": "2022-09-04T14:37:19.286815Z",
"structure_string": "K2 Th1 Cu2 S4\n1.0\n4.019043 0.000000 0.000000\n-2.009522 6.829810 -2.478878\n0.000000 -0.000868 7.568253\nK Th Cu S\n2 1 2 4\ndirect\n0.137684 0.275367 0.564045 K\n0.862315 0.724632 0.435954 K\n0.000000 0.000000 0.000000 Th\n0.680881 0.361762 0.989377 Cu\n0.319119 0.638237 0.010622 Cu\n0.521804 0.043608 0.758469 S\n0.478196 0.956391 0.241530 S\n0.203018 0.406035 0.179348 S\n0.796982 0.593965 0.820651 S\n",
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"formula_full": "K2 Th1 Cu2 S4",
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{
"id": "jvasp-34370",
"created_at": "2022-09-04T14:37:19.949736Z",
"updated_at": "2022-09-04T14:37:19.949764Z",
"structure_string": "K3 Sb2 N2 O6 F7\n1.0\n5.211260 0.000000 -1.974173\n-0.098486 7.141436 -0.259974\n0.057708 0.010679 8.017548\nK Sb N O F\n3 2 2 6 7\ndirect\n0.782853 0.258348 0.565707 K\n0.217146 0.741653 0.434294 K\n0.500000 0.500000 0.000000 K\n0.098043 0.249375 0.196087 Sb\n0.901956 0.750626 0.803914 Sb\n0.410923 0.075311 0.821848 N\n0.589076 0.924690 0.178153 N\n0.608085 0.100444 0.216170 O\n0.381687 0.839200 0.157879 O\n0.618313 0.160801 0.842123 O\n0.223810 0.160801 0.842122 O\n0.776190 0.839200 0.157879 O\n0.391914 0.899557 0.783831 O\n0.088772 0.575474 0.696590 F\n0.392182 0.424526 0.303411 F\n0.607818 0.575474 0.696590 F\n0.781530 0.868085 0.563061 F\n0.911228 0.424526 0.303411 F\n0.218470 0.131916 0.436940 F\n-0.000000 0.500000 0.000000 F\n",
"nsites": 20,
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{
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"updated_at": "2022-09-04T14:37:19.499710Z",
"structure_string": "Nb4 Te6\n1.0\n3.639925 0.000006 0.753199\n1.563643 7.535439 1.615340\n-0.024792 0.306659 9.291726\nNb Te\n4 6\ndirect\n0.668060 0.547630 0.116242 Nb\n0.331940 0.452371 0.883758 Nb\n0.756105 0.113548 0.374242 Nb\n0.243895 0.886453 0.625759 Nb\n0.410547 0.856037 0.322864 Te\n0.872591 0.212032 0.042797 Te\n0.123446 0.404464 0.348644 Te\n0.876555 0.595537 0.651356 Te\n0.589454 0.143964 0.677136 Te\n0.127409 0.787969 0.957203 Te\n",
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"formula_full": "Nb4 Te6",
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{
"id": "jvasp-11545",
"created_at": "2022-09-04T14:37:19.369600Z",
"updated_at": "2022-09-04T14:37:19.369629Z",
"structure_string": "Mg2 Ni3 O8\n1.0\n4.626816 0.069154 -1.316744\n-0.830080 4.933471 -2.657662\n0.041528 -0.161424 5.724891\nMg Ni O\n2 3 8\ndirect\n0.640281 0.718240 0.436480 Mg\n0.359719 0.281761 0.563521 Mg\n0.500000 0.999998 0.000000 Ni\n1.000000 0.745894 0.000001 Ni\n1.000000 0.254104 0.000001 Ni\n0.064617 0.390594 0.781189 O\n0.935384 0.609404 0.218812 O\n0.097986 0.896725 0.793449 O\n0.902015 0.103273 0.206551 O\n0.390035 0.339594 0.226652 O\n0.390035 0.887057 0.226652 O\n0.609967 0.112941 0.773349 O\n0.609967 0.660406 0.773349 O\n",
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{
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"created_at": "2022-09-04T14:37:19.460217Z",
"updated_at": "2022-09-04T14:37:19.460249Z",
"structure_string": "Sc2 Si2 O7\n1.0\n4.688281 0.001333 -0.634526\n-0.921840 5.113208 -1.402450\n-0.002214 0.003898 5.381592\nSc Si O\n2 2 7\ndirect\n0.000001 0.309475 0.690525 Sc\n0.000000 0.690526 0.309475 Sc\n0.408217 0.224835 0.224835 Si\n0.591783 0.775165 0.775164 Si\n0.786904 0.922086 0.605193 O\n0.213097 0.394806 0.077914 O\n0.213097 0.077914 0.394806 O\n0.786904 0.605194 0.922085 O\n0.500000 -0.000000 -0.000000 O\n0.278743 0.604756 0.604755 O\n0.721258 0.395245 0.395244 O\n",
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"formula_full": "Sc2 Si2 O7",
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{
"id": "jvasp-11559",
"created_at": "2022-09-04T14:37:19.543421Z",
"updated_at": "2022-09-04T14:37:19.543440Z",
"structure_string": "Mg2 Sn3 O8\n1.0\n5.294294 0.296991 -1.102283\n-0.906714 5.388935 -2.903020\n0.328428 -0.324082 5.890725\nMg Sn O\n2 3 8\ndirect\n0.576520 0.704607 0.409214 Mg\n0.423482 0.295395 0.590789 Mg\n0.500000 1.000000 0.000001 Sn\n0.000001 0.742208 1.000001 Sn\n0.000001 0.257792 1.000000 Sn\n0.135019 0.394026 0.788053 O\n0.864981 0.605974 0.211949 O\n0.136048 0.893794 0.787587 O\n0.863953 0.106207 0.212414 O\n0.362528 0.352722 0.250449 O\n0.362528 0.897728 0.250449 O\n0.637471 0.102273 0.749553 O\n0.637472 0.647279 0.749553 O\n",
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{
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"structure_string": "Tm5 Re2 O12\n1.0\n5.609601 0.000000 0.000000\n-2.804801 5.828875 -1.880725\n0.000000 -0.003647 7.422091\nTm Re O\n5 2 12\ndirect\n0.500000 -0.000000 0.500000 Tm\n0.814617 0.629234 0.177564 Tm\n0.185383 0.370765 0.822437 Tm\n0.197770 0.395540 0.359586 Tm\n0.802229 0.604459 0.640414 Tm\n0.715615 0.000000 0.000000 Re\n0.284385 0.000000 0.000000 Re\n0.094299 0.693357 0.428026 O\n0.502522 0.005044 0.791177 O\n0.412883 0.335646 0.087510 O\n0.000902 0.001806 0.181829 O\n0.400942 0.306642 0.571975 O\n0.905700 0.306642 0.571975 O\n0.599057 0.693357 0.428026 O\n0.922763 0.335646 0.087510 O\n0.587116 0.664352 0.912491 O\n0.077237 0.664352 0.912491 O\n0.999097 0.998193 0.818171 O\n0.497477 0.994954 0.208823 O\n",
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"updated_at": "2022-09-04T14:37:19.421727Z",
"structure_string": "Al1 Sn1 Ru2\n1.0\n-10.308860 2.356897 -2.103025\n-7.342484 1.374354 1.035564\n-6.467672 3.848696 -0.479655\nAl Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.499999 0.000001 0.000001 Sn\n0.700962 0.041134 0.041134 Ru\n0.299036 -0.041133 -0.041133 Ru\n",
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{
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"structure_string": "Y1 Sn1 Ru2\n1.0\n-11.149864 2.193494 -2.855387\n-3.156682 1.068539 -3.457604\n-4.132178 -1.691012 -1.768276\nY Sn Ru\n1 1 2\ndirect\n0.000002 -0.000002 -0.000003 Y\n0.500001 0.000001 0.000001 Sn\n0.697129 0.062377 0.062383 Ru\n0.302868 0.937629 0.937621 Ru\n",
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{
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"structure_string": "Be1 Fe1 Co2\n1.0\n-9.064837 1.669427 -2.507422\n-6.228087 0.983271 0.426506\n-5.530470 2.956432 -0.781804\nBe Fe Co\n1 1 2\ndirect\n-0.000009 0.000009 0.000009 Be\n0.499991 0.000009 0.000009 Fe\n0.741538 0.006664 0.006664 Co\n0.258477 -0.006680 -0.006680 Co\n",
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}