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{
"id": "jvasp-48624",
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"updated_at": "2022-09-04T14:37:04.204209Z",
"structure_string": "V6 O3 F15\n1.0\n-4.539945 0.000014 0.000164\n-0.000025 -8.351762 -0.000225\n0.000449 4.176046 7.233274\nV O F\n6 3 15\ndirect\n0.011542 0.321604 0.993366 V\n0.483873 0.006656 0.678409 V\n0.483875 0.671756 0.993343 V\n0.011542 0.006640 0.328254 V\n0.011547 0.671755 0.678405 V\n0.483876 0.321589 0.328244 V\n0.247700 0.125932 0.874060 O\n0.247703 0.748131 0.874070 O\n0.247702 0.125935 0.251878 O\n0.747694 0.562870 0.781424 F\n0.247723 0.100950 0.550478 F\n0.247716 0.449523 0.899057 F\n0.747694 0.218583 0.781458 F\n0.747710 0.883419 0.116594 F\n0.747738 0.543338 0.086641 F\n0.247715 0.781951 0.563912 F\n0.247723 0.436091 0.218053 F\n0.747702 0.233170 0.116586 F\n0.747740 0.913361 0.456697 F\n0.747689 0.218555 0.437131 F\n0.747746 0.543308 0.456675 F\n0.747695 0.883417 0.766829 F\n0.247730 0.781947 0.218039 F\n0.247730 0.449524 0.550474 F\n",
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{
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"structure_string": "K1 Rb1 Cl2\n1.0\n4.332745 0.000991 6.561409\n1.971643 3.858148 6.561409\n0.001618 0.000991 7.862872\nK Rb Cl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Rb\n0.254419 0.254419 0.254419 Cl\n0.745582 0.745581 0.745581 Cl\n",
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{
"id": "jvasp-18563",
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"updated_at": "2022-09-04T14:36:48.448070Z",
"structure_string": "Cu1 Ni2 Sb1\n1.0\n3.682528 -0.000000 2.126108\n1.227509 3.471921 2.126108\n-0.000000 -0.000000 4.252218\nCu Ni Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.750001 0.750000 0.750001 Ni\n0.250000 0.250000 0.250000 Ni\n0.500000 0.500000 0.500001 Sb\n",
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{
"id": "jvasp-8622",
"created_at": "2022-09-04T14:37:04.440838Z",
"updated_at": "2022-09-04T14:37:04.440854Z",
"structure_string": "In1 Fe2 O4\n1.0\n3.279663 -0.029938 8.136637\n1.553798 2.888391 8.136637\n-0.050624 -0.029938 8.772598\nIn Fe O\n1 2 4\ndirect\n0.000000 0.000000 0.000000 In\n0.786021 0.786019 0.786022 Fe\n0.213981 0.213979 0.213981 Fe\n0.708023 0.708021 0.708022 O\n0.291979 0.291976 0.291979 O\n0.872723 0.872722 0.872722 O\n0.127276 0.127279 0.127278 O\n",
"nsites": 7,
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{
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"created_at": "2022-09-04T14:37:04.445747Z",
"updated_at": "2022-09-04T14:37:04.445776Z",
"structure_string": "Ca2 Co1 O3\n1.0\n3.308088 -0.078075 0.474307\n0.082662 3.307977 0.474307\n0.716710 0.682711 7.144504\nCa Co O\n2 1 3\ndirect\n0.393433 0.393435 0.174229 Ca\n0.071795 0.071794 0.817422 Ca\n0.703672 0.703672 0.495829 Co\n0.895607 0.895608 0.179733 O\n0.579441 0.579442 0.811948 O\n0.290054 0.290054 0.495840 O\n",
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{
"id": "jvasp-55643",
"created_at": "2022-09-04T14:37:04.139385Z",
"updated_at": "2022-09-04T14:37:04.139410Z",
"structure_string": "Rb8 Yb2 I12\n1.0\n9.937687 0.003515 0.078514\n0.077924 9.937382 0.078514\n0.003542 0.003515 9.937996\nYb Rb I\n2 8 12\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.131455 0.750000 0.368545 Rb\n0.750000 0.368546 0.131454 Rb\n0.368545 0.131455 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.250000 0.631455 0.868545 Rb\n0.631455 0.868545 0.250000 Rb\n0.750000 0.750001 0.750000 Rb\n0.868545 0.250001 0.631455 Rb\n0.558603 0.199938 0.429619 I\n0.699938 0.058604 0.929620 I\n0.441396 0.800063 0.570380 I\n0.929620 0.699938 0.058603 I\n0.570380 0.441397 0.800062 I\n0.800062 0.570381 0.441396 I\n0.429619 0.558604 0.199938 I\n0.941397 0.070381 0.300062 I\n0.300062 0.941397 0.070380 I\n0.070380 0.300063 0.941397 I\n0.199938 0.429620 0.558603 I\n0.058603 0.929620 0.699938 I\n",
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{
"id": "jvasp-13313",
"created_at": "2022-09-04T14:37:04.152463Z",
"updated_at": "2022-09-04T14:37:04.152477Z",
"structure_string": "Y1 Ag3 Cl6\n1.0\n7.243250 -0.054783 -0.037719\n3.972356 6.057068 -0.037719\n3.972356 2.125896 5.671865\nY Ag Cl\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Y\n0.206980 0.206980 0.206979 Ag\n0.500000 0.500001 0.499999 Ag\n0.793021 0.793022 0.793020 Ag\n0.103500 0.385652 0.763902 Cl\n0.385651 0.763903 0.103499 Cl\n0.763903 0.103501 0.385650 Cl\n0.236098 0.896501 0.614348 Cl\n0.614349 0.236099 0.896499 Cl\n0.896500 0.614350 0.236097 Cl\n",
"nsites": 10,
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"elements": [
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{
"id": "jvasp-7895",
"created_at": "2022-09-04T14:37:04.157355Z",
"updated_at": "2022-09-04T14:37:04.157368Z",
"structure_string": "Li1 Mo1 O2\n1.0\n2.896157 0.136021 4.780165\n1.438149 2.517531 4.780165\n0.222176 0.136021 5.584653\nLi Mo O\n1 1 2\ndirect\n0.500004 0.500001 0.499996 Li\n0.000000 0.000000 0.000000 Mo\n0.246490 0.246484 0.246488 O\n0.753517 0.753513 0.753508 O\n",
"nsites": 4,
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{
"id": "jvasp-22579",
"created_at": "2022-09-04T14:37:04.158967Z",
"updated_at": "2022-09-04T14:37:04.158992Z",
"structure_string": "K2 Mn2 F6\n1.0\n4.902699 0.000000 -2.806885\n-1.606994 4.631849 -2.806885\n-0.020760 -0.029176 5.648877\nK Mn F\n2 2 6\ndirect\n0.750000 0.250000 0.500001 K\n0.250001 0.750000 0.500001 K\n0.500001 0.500000 0.000001 Mn\n0.000000 0.000000 0.000000 Mn\n0.750001 0.750000 0.500002 F\n0.250000 0.250000 0.500001 F\n0.750807 0.250807 0.000001 F\n0.749194 0.750807 0.000002 F\n0.249194 0.749194 0.000001 F\n0.250807 0.249194 0.000001 F\n",
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"formula_full": "K2 Mn2 F6",
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{
"id": "jvasp-54724",
"created_at": "2022-09-04T14:37:04.165654Z",
"updated_at": "2022-09-04T14:37:04.165684Z",
"structure_string": "Sc4 H4 O8\n1.0\n3.223123 -0.000000 0.000000\n0.000000 4.784888 0.000000\n0.000000 0.000000 10.343541\nSc H O\n4 4 8\ndirect\n0.250000 0.429776 0.355704 Sc\n0.250000 0.070224 0.855704 Sc\n0.749999 0.570225 0.644296 Sc\n0.749999 0.929776 0.144296 Sc\n0.250000 0.109816 0.591542 H\n0.250000 0.390185 0.091542 H\n0.749999 0.890185 0.408457 H\n0.749999 0.609816 0.908457 H\n0.250000 0.816329 0.694148 O\n0.250000 0.683672 0.194148 O\n0.749999 0.183671 0.305852 O\n0.749999 0.316329 0.805852 O\n0.250000 0.307003 0.559170 O\n0.250000 0.192998 0.059170 O\n0.749999 0.692998 0.440830 O\n0.749999 0.807003 0.940830 O\n",
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{
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"structure_string": "Li2 As2 O6\n1.0\n4.356231 -0.023299 3.366977\n1.639888 4.035846 3.366977\n-0.034816 -0.023299 5.505639\nLi As O\n2 2 6\ndirect\n0.866435 0.866436 0.866437 Li\n0.133564 0.133564 0.133564 Li\n0.660585 0.660586 0.660587 As\n0.339414 0.339414 0.339415 As\n0.064864 0.707629 0.449284 O\n0.449282 0.064864 0.707630 O\n0.292370 0.550717 0.935137 O\n0.935136 0.292371 0.550718 O\n0.550717 0.935137 0.292372 O\n0.707629 0.449283 0.064865 O\n",
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{
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"structure_string": "Ca1 Mg2 Bi2\n1.0\n2.384272 -4.129680 0.000000\n2.384272 4.129680 0.000000\n0.000000 0.000000 7.698576\nCa Mg Bi\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.628554 Mg\n0.333333 0.666667 0.371447 Mg\n0.333333 0.666667 0.761603 Bi\n0.666667 0.333333 0.238397 Bi\n",
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}