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{
"id": "jvasp-117607",
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"structure_string": "Ba1 Mg1 Te2\n1.0\n4.653835 0.000000 -0.000000\n0.000000 4.653835 0.000000\n0.000000 0.000000 7.049883\nBa Mg Te\n1 1 2\ndirect\n0.499999 0.499999 0.515483 Ba\n0.000000 0.000000 0.049731 Mg\n0.000000 0.000000 0.443278 Te\n0.499999 0.499999 0.001508 Te\n",
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{
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{
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"structure_string": "Cr4 Fe2 Se2 S6\n1.0\n6.086377 -0.041692 -3.480346\n-2.056908 5.737444 -3.465458\n-0.000077 0.041692 7.011191\nCr Fe Se S\n4 2 2 6\ndirect\n0.246495 0.495523 0.750972 Cr\n0.744551 0.495523 0.249027 Cr\n0.748043 0.486284 0.738238 Cr\n0.748044 0.009804 0.261760 Cr\n0.396562 0.896562 0.499999 Fe\n0.117138 0.117138 -0.000000 Fe\n0.997870 0.752714 0.245155 Se\n0.507559 0.752714 0.754843 Se\n0.503585 0.736608 0.233023 S\n0.503585 0.270562 0.766976 S\n0.513017 0.252614 0.260402 S\n0.992212 0.252614 0.739597 S\n0.990668 0.259878 0.269210 S\n0.990667 0.721456 0.730788 S\n",
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{
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"structure_string": "Ba4 V1 Si1\n1.0\n-0.000000 4.863997 4.863997\n4.863997 0.000000 4.863997\n4.863997 4.863997 0.000000\nBa V Si\n4 1 1\ndirect\n0.126728 0.624424 0.624424 Ba\n0.624424 0.624424 0.624424 Ba\n0.624424 0.126728 0.624424 Ba\n0.624424 0.624424 0.126728 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Si\n",
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{
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"created_at": "2022-09-04T14:38:42.862799Z",
"updated_at": "2022-09-04T14:38:42.862827Z",
"structure_string": "Li4 Mn5 Fe1 O12\n1.0\n4.863325 -0.030179 0.199254\n-2.422810 4.216969 0.199254\n0.410347 0.703965 9.930422\nLi Mn Fe O\n4 5 1 12\ndirect\n0.915389 0.245384 0.241145 Li\n0.754615 0.084609 0.758854 Li\n0.245384 0.915390 0.241145 Li\n0.084610 0.754615 0.758854 Li\n0.833233 0.166766 0.500000 Mn\n0.336752 0.663248 -0.000000 Mn\n0.663247 0.336752 -0.000000 Mn\n0.166767 0.833233 0.499999 Mn\n0.500000 0.499999 0.499999 Mn\n0.000000 0.000000 0.000000 Fe\n-0.029864 0.627184 0.107151 O\n0.706907 0.706907 0.890695 O\n0.372816 0.029863 0.892848 O\n0.199089 0.536367 0.391559 O\n0.873443 0.873443 0.391294 O\n0.029864 0.372815 0.892848 O\n0.463633 0.800910 0.608440 O\n0.800910 0.463632 0.608440 O\n0.627184 -0.029864 0.107151 O\n0.293092 0.293092 0.109304 O\n0.536367 0.199089 0.391559 O\n0.126556 0.126556 0.608705 O\n",
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{
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"created_at": "2022-09-04T14:38:32.591307Z",
"updated_at": "2022-09-04T14:38:32.591333Z",
"structure_string": "Y10 Si6 C2\n1.0\n8.440654 -0.000000 0.000000\n-4.220327 7.309821 0.000000\n-0.000000 -0.000000 6.420542\nY Si C\n10 6 2\ndirect\n0.666666 0.333333 -0.000000 Y\n-0.000000 0.776809 0.250000 Y\n0.223191 0.223191 0.250000 Y\n-0.000000 0.223191 0.750000 Y\n0.223191 0.000000 0.750000 Y\n0.776809 0.000000 0.250000 Y\n0.666666 0.333333 0.500000 Y\n0.333333 0.666667 0.500000 Y\n0.333333 0.666667 -0.000000 Y\n0.776809 0.776809 0.750000 Y\n0.409323 0.409323 0.750000 Si\n0.590677 0.000000 0.750000 Si\n-0.000000 0.590677 0.750000 Si\n0.590676 0.590677 0.250000 Si\n0.409323 0.000000 0.250000 Si\n-0.000000 0.409323 0.250000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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"formula_full": "Y10 Si6 C2",
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{
"id": "jvasp-30509",
"created_at": "2022-09-04T14:37:09.364408Z",
"updated_at": "2022-09-04T14:37:09.364431Z",
"structure_string": "Cu2 H2 O4\n1.0\n0.720839 2.899013 0.000000\n-0.000000 -0.000000 3.969612\n6.148403 0.010325 0.000000\nCu H O\n2 2 4\ndirect\n0.177287 0.459796 0.645422 Cu\n0.822710 0.959796 0.354578 Cu\n0.517690 0.260845 0.964616 H\n0.482307 0.760844 0.035384 H\n0.430363 0.967069 0.139274 O\n0.569634 0.467069 0.860726 O\n0.789822 0.461499 0.420352 O\n0.210175 0.961499 0.579648 O\n",
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"formula_full": "Cu2 H2 O4",
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{
"id": "jvasp-27495",
"created_at": "2022-09-04T14:38:13.921714Z",
"updated_at": "2022-09-04T14:38:13.921742Z",
"structure_string": "Ca3 Ta1 Ga3 Si2 O14\n1.0\n4.081529 -7.069415 -0.000000\n4.081529 7.069415 0.000000\n0.000000 -0.000000 5.017090\nCa Ta Ga Si O\n3 1 3 2 14\ndirect\n0.576139 0.000000 0.000000 Ca\n0.423861 0.423861 0.000000 Ca\n0.000000 0.576139 0.000000 Ca\n0.000000 0.000000 0.000000 Ta\n0.744984 0.744984 0.500000 Ga\n0.000000 0.255016 0.500000 Ga\n0.255016 0.000000 0.500000 Ga\n0.333333 0.666667 0.448723 Si\n0.666667 0.333333 0.551276 Si\n0.677665 0.523133 0.692497 O\n0.666667 0.333333 0.229714 O\n0.333333 0.666667 0.770286 O\n0.322336 0.845469 0.307503 O\n0.154532 0.476867 0.307503 O\n0.523133 0.677665 0.307503 O\n0.083460 0.857878 0.764243 O\n0.857878 0.083460 0.235757 O\n0.225582 0.142122 0.235757 O\n0.845469 0.322336 0.692497 O\n0.142122 0.225582 0.764243 O\n0.774418 0.916540 0.764243 O\n0.916540 0.774418 0.235757 O\n0.476867 0.154532 0.692497 O\n",
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{
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"created_at": "2022-09-04T14:36:54.478737Z",
"updated_at": "2022-09-04T14:36:54.478772Z",
"structure_string": "Sr6 Fe2 N6\n1.0\n3.796580 -6.575871 -0.000000\n3.796580 6.575871 -0.000000\n0.000000 0.000000 5.291808\nSr Fe N\n6 2 6\ndirect\n0.727161 0.639520 0.750000 Sr\n0.639520 0.912360 0.250000 Sr\n0.087640 0.727161 0.250000 Sr\n0.912360 0.272839 0.750000 Sr\n0.360480 0.087640 0.750000 Sr\n0.272839 0.360480 0.250000 Sr\n0.333333 0.666667 0.750000 Fe\n0.666667 0.333333 0.250000 Fe\n0.688274 0.573253 0.250000 N\n0.573253 0.884979 0.750000 N\n0.115021 0.688274 0.750000 N\n0.884979 0.311726 0.250000 N\n0.426747 0.115021 0.250000 N\n0.311726 0.426747 0.750000 N\n",
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{
"id": "jvasp-111646",
"created_at": "2022-09-04T14:38:54.506812Z",
"updated_at": "2022-09-04T14:38:54.506849Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.313166 -0.017011 -2.149509\n-2.250709 5.757471 -1.579444\n-0.010079 -0.009837 7.501614\nLi Mn Co O\n8 2 4 14\ndirect\n0.072421 0.563647 0.851033 Li\n0.634586 0.154630 0.715449 Li\n0.231512 0.706536 0.582999 Li\n0.787804 0.292495 0.436760 Li\n0.360515 0.856978 0.288024 Li\n0.913498 0.429214 0.130985 Li\n0.498018 0.998355 0.994461 Li\n0.565552 0.562367 0.851202 Li\n0.995577 0.995313 0.995505 Mn\n0.850514 0.853957 0.283077 Mn\n0.285722 0.286954 0.429963 Co\n0.430683 0.430540 0.142251 Co\n0.146302 0.146436 0.716384 Co\n0.715105 0.712533 0.573469 Co\n0.057007 0.278451 0.934165 O\n0.967694 0.737876 0.083102 O\n0.511564 0.284992 0.930714 O\n0.089919 0.865526 0.784715 O\n0.659424 0.433294 0.627105 O\n0.229894 0.010762 0.499482 O\n0.805756 0.583164 0.353529 O\n0.372475 0.154160 0.208619 O\n0.179235 0.406076 0.633590 O\n0.770083 0.989510 0.502794 O\n0.345006 0.559118 0.363112 O\n0.904421 0.128825 0.211577 O\n0.484772 0.714865 0.089056 O\n0.634944 0.863417 0.786872 O\n",
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{
"id": "jvasp-119339",
"created_at": "2022-09-04T14:38:44.277762Z",
"updated_at": "2022-09-04T14:38:44.277788Z",
"structure_string": "Li4 V4 Sn2 O12\n1.0\n4.572360 0.000173 -2.564418\n0.001119 10.072924 0.000697\n0.023369 0.000128 5.242347\nLi V Sn O\n4 4 2 12\ndirect\n0.646334 0.750013 0.146143 Li\n0.853839 0.249988 0.353684 Li\n0.146139 0.750018 0.646350 Li\n0.353662 0.249984 0.853850 Li\n0.343126 -0.000001 0.656884 V\n0.156885 0.499998 0.843111 V\n0.843176 0.499997 0.156820 V\n0.656825 -0.000001 0.343183 V\n0.999971 0.000002 0.000025 Sn\n0.500025 0.500001 0.499965 Sn\n0.157998 0.391995 0.510650 O\n0.989352 0.891994 0.342116 O\n0.842051 0.608007 0.489287 O\n0.510708 0.391993 0.157946 O\n0.342065 0.891994 0.989409 O\n0.165706 0.606523 0.165631 O\n0.834361 0.393476 0.834285 O\n0.665744 0.893472 0.665807 O\n0.334206 0.106527 0.334269 O\n0.489345 0.608005 0.842000 O\n0.657889 0.108005 0.010655 O\n0.010598 0.108004 0.657940 O\n",
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{
"id": "jvasp-44433",
"created_at": "2022-09-04T14:38:10.484726Z",
"updated_at": "2022-09-04T14:38:10.484756Z",
"structure_string": "Li10 W2 N2 O8\n1.0\n4.595018 2.455129 0.000000\n-4.595018 2.455129 0.000000\n0.000000 0.000000 9.626159\nLi W N O\n10 2 2 8\ndirect\n0.234708 0.800034 0.995572 Li\n0.199967 0.765292 0.495572 Li\n0.438163 0.823535 0.743201 Li\n0.176465 0.561837 0.243201 Li\n0.427176 0.427176 0.472946 Li\n0.572824 0.572824 0.972946 Li\n0.823535 0.438163 0.743201 Li\n0.561837 0.176465 0.243201 Li\n0.800034 0.234708 0.995572 Li\n0.765292 0.199967 0.495572 Li\n0.182590 0.182590 0.751036 W\n0.817410 0.817410 0.251036 W\n0.178533 0.178533 0.267556 N\n0.821467 0.821467 0.767556 N\n0.541908 0.837938 0.379622 O\n0.162062 0.458092 0.879622 O\n0.578772 0.871840 0.111071 O\n0.128160 0.421228 0.611071 O\n0.871840 0.578772 0.111071 O\n0.421228 0.128160 0.611071 O\n0.837938 0.541908 0.379622 O\n0.458092 0.162062 0.879622 O\n",
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}
]
}