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{
"id": "jvasp-43105",
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{
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"structure_string": "Fe4 O2 F6\n1.0\n-0.132598 4.657010 2.981537\n-0.132598 4.657010 -2.981537\n-4.657010 0.132598 -2.981537\nFe O F\n4 2 6\ndirect\n0.750000 0.750000 0.500001 Fe\n0.250000 0.250000 0.500000 Fe\n-0.000000 0.972949 0.027052 Fe\n0.500000 0.527052 0.972949 Fe\n0.500000 0.808902 0.691099 O\n-0.000000 0.691098 0.308902 O\n0.563188 0.250000 0.813188 F\n0.063188 0.750001 0.813188 F\n-0.000000 0.278319 0.721682 F\n0.500000 0.221682 0.278318 F\n0.936812 0.250000 0.186813 F\n0.436812 0.750000 0.186813 F\n",
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{
"id": "jvasp-93765",
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"updated_at": "2022-09-04T14:35:51.322559Z",
"structure_string": "Er2 Ge1 Rh3\n1.0\n2.781042 1.605635 3.935076\n-2.781042 1.605635 3.935076\n0.000000 -3.211271 3.935076\nEr Ge Rh\n2 1 3\ndirect\n0.629422 0.629422 0.629419 Er\n0.370581 0.370581 0.370579 Er\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Rh\n0.000001 0.500000 -0.000000 Rh\n0.500000 0.000001 -0.000000 Rh\n",
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{
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"created_at": "2022-09-04T14:35:41.245577Z",
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"structure_string": "Li24 Sc8 N16\n1.0\n8.163114 -0.000000 -2.886097\n-4.081557 7.069464 -2.886097\n0.000000 0.000000 8.658290\nLi Sc N\n24 8 16\ndirect\n0.462047 0.236134 0.003637 Li\n0.037953 0.041590 0.774087 Li\n0.496362 0.732497 0.458409 Li\n0.996362 0.537952 0.763865 Li\n0.274087 0.232497 0.736134 Li\n0.225912 0.962047 0.958409 Li\n0.267502 0.541590 0.503637 Li\n0.541590 0.503637 0.267502 Li\n0.763864 0.996362 0.537952 Li\n0.232496 0.736134 0.274087 Li\n0.958409 0.225913 0.962047 Li\n0.537952 0.763865 0.996362 Li\n0.736134 0.274087 0.232497 Li\n0.962046 0.958409 0.225912 Li\n0.503637 0.267503 0.541590 Li\n0.767502 0.263865 0.725912 Li\n0.236134 0.003637 0.462047 Li\n0.458409 0.496362 0.732497 Li\n0.732496 0.458410 0.496362 Li\n0.774087 0.037953 0.041590 Li\n0.725912 0.767502 0.263865 Li\n0.003637 0.462047 0.236134 Li\n0.263865 0.725912 0.767502 Li\n0.041590 0.774087 0.037952 Li\n0.243741 0.243741 0.243741 Sc\n0.743740 0.500000 -0.000001 Sc\n0.500000 -0.000000 0.743741 Sc\n-0.000001 0.743740 0.499999 Sc\n0.756258 0.756259 0.756258 Sc\n0.256259 0.500000 -0.000001 Sc\n0.500000 -0.000000 0.256259 Sc\n-0.000000 0.256259 0.500000 Sc\n0.511815 0.761815 0.749999 N\n0.738184 0.250000 0.988184 N\n0.988183 0.738184 0.249999 N\n0.749999 0.511816 0.761815 N\n0.750000 0.011816 0.261816 N\n0.238184 0.250000 0.488184 N\n0.488184 0.238184 0.250000 N\n0.250000 0.488184 0.238184 N\n0.011816 0.261816 0.750000 N\n0.761815 0.750000 0.511815 N\n0.499999 0.500000 -0.000001 N\n0.500000 -0.000000 0.500000 N\n-0.000000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.261815 0.750000 0.011815 N\n0.249999 0.988183 0.738183 N\n",
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{
"id": "jvasp-98480",
"created_at": "2022-09-04T14:35:51.353315Z",
"updated_at": "2022-09-04T14:35:51.353338Z",
"structure_string": "Ba2 Fe4 S6\n1.0\n5.164670 -0.000000 -0.000000\n0.000000 6.693723 -1.477105\n-0.000000 0.172292 6.852597\nBa Fe S\n2 4 6\ndirect\n0.250000 0.320962 0.679038 Ba\n0.750000 0.679037 0.320962 Ba\n0.000000 0.854433 0.854433 Fe\n0.000000 0.145566 0.145566 Fe\n0.500000 0.145566 0.145566 Fe\n0.500000 0.854433 0.854433 Fe\n0.750000 0.178741 0.402868 S\n0.250000 0.821258 0.597132 S\n0.250000 0.402867 0.178741 S\n0.750000 0.597132 0.821258 S\n0.750000 0.112497 0.887503 S\n0.250000 0.887503 0.112496 S\n",
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"formula_full": "Ba2 Fe4 S6",
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{
"id": "jvasp-93340",
"created_at": "2022-09-04T14:35:42.548402Z",
"updated_at": "2022-09-04T14:35:42.548433Z",
"structure_string": "Tb1 B2 Rh3\n1.0\n-0.027679 0.000000 -3.156098\n-2.703221 -4.682296 0.023592\n-2.703221 4.682296 0.023592\nTb B Rh\n1 2 3\ndirect\n0.500001 0.500000 0.500000 Tb\n0.500001 0.833346 0.166654 B\n0.500001 0.166654 0.833346 B\n0.000000 0.000000 0.000000 Rh\n0.000000 -0.000000 0.500000 Rh\n0.000000 0.500000 -0.000000 Rh\n",
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"created_at": "2022-09-04T14:35:45.117537Z",
"updated_at": "2022-09-04T14:35:45.117564Z",
"structure_string": "Na8 Ti4 O12\n1.0\n5.343772 0.000000 -0.013129\n-2.671886 4.629716 0.006566\n-1.810524 -0.000000 10.783011\nNa Ti O\n8 4 12\ndirect\n0.157774 0.842335 0.499715 Na\n-0.000000 0.500000 0.000000 Na\n0.085069 0.170139 0.250000 Na\n0.684562 0.842335 0.000285 Na\n0.500000 0.500000 0.500000 Na\n0.315438 0.157665 0.999715 Na\n0.914931 0.829862 0.750000 Na\n0.842226 0.157665 0.500285 Na\n0.581916 0.163832 0.750000 Ti\n0.750122 0.500244 0.250000 Ti\n0.249879 0.499757 0.750000 Ti\n0.418084 0.836169 0.250000 Ti\n0.674577 0.171502 0.147953 O\n0.050945 0.795800 0.146836 O\n0.325423 0.828499 0.852047 O\n0.120093 0.547803 0.351569 O\n0.503076 0.828499 0.647953 O\n0.255146 0.204201 0.646836 O\n0.572290 0.452197 0.851569 O\n0.427710 0.547803 0.148432 O\n0.744854 0.795800 0.353164 O\n0.496924 0.171502 0.352047 O\n0.879908 0.452197 0.648431 O\n0.949055 0.204201 0.853164 O\n",
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{
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{
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"updated_at": "2022-09-04T14:35:51.241929Z",
"structure_string": "Tl8 Sn4 O12\n1.0\n3.291550 -0.000000 0.000000\n-0.000000 10.321840 0.000000\n0.000000 0.000000 12.539662\nTl Sn O\n8 4 12\ndirect\n0.750000 0.132687 0.893625 Tl\n0.250000 0.867313 0.106375 Tl\n0.750000 0.632687 0.606375 Tl\n0.250000 0.367313 0.393625 Tl\n0.750000 0.291261 0.649922 Tl\n0.250000 0.708739 0.350078 Tl\n0.750000 0.791261 0.850078 Tl\n0.250000 0.208739 0.149922 Tl\n0.250000 0.959505 0.610903 Sn\n0.750000 0.040495 0.389097 Sn\n0.250000 0.459505 0.889097 Sn\n0.750000 0.540495 0.110903 Sn\n0.250000 0.787402 0.691531 O\n0.750000 0.392501 0.991224 O\n0.250000 0.607499 0.008776 O\n0.750000 0.892501 0.508776 O\n0.250000 0.107499 0.491224 O\n0.750000 0.042254 0.692138 O\n0.250000 0.957746 0.307862 O\n0.750000 0.542254 0.807862 O\n0.250000 0.457746 0.192138 O\n0.250000 0.287402 0.808469 O\n0.750000 0.712598 0.191531 O\n0.750000 0.212598 0.308469 O\n",
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{
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"structure_string": "Y3 Co9 H6\n1.0\n5.040764 0.204671 8.133168\n2.470253 4.398755 8.133168\n0.333943 0.204670 9.562751\nY Co H\n3 9 6\ndirect\n0.127714 0.127714 0.127714 Y\n0.000000 0.000000 0.000000 Y\n0.872285 0.872285 0.872288 Y\n0.332233 0.332233 0.332234 Co\n0.499999 0.499999 0.500001 Co\n0.570592 0.072424 0.570594 Co\n0.667765 0.667766 0.667768 Co\n0.927575 0.429407 0.429409 Co\n0.429407 0.927575 0.429409 Co\n0.429407 0.429407 0.927578 Co\n0.072423 0.570593 0.570594 Co\n0.570593 0.570593 0.072425 Co\n0.368311 0.860724 0.368313 H\n0.139275 0.631687 0.631689 H\n0.631688 0.631687 0.139277 H\n0.631687 0.139275 0.631689 H\n0.860724 0.368311 0.368313 H\n0.368311 0.368311 0.860726 H\n",
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{
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"structure_string": "Li4 Fe2 O6\n1.0\n-2.851451 0.000016 -0.000318\n-0.000130 -5.784207 0.003448\n1.425176 1.508548 5.941805\nLi Fe O\n4 2 6\ndirect\n0.673627 0.826553 0.347002 Li\n0.993021 0.506758 0.986317 Li\n0.333326 0.166661 0.666659 Li\n0.333329 0.666666 0.666667 Li\n0.672807 0.340021 0.345622 Fe\n0.993852 0.993305 0.987704 Fe\n0.507241 0.229410 0.014503 O\n0.821239 0.408704 0.642504 O\n0.845423 0.924622 0.690825 O\n0.504035 0.781726 0.008026 O\n0.159422 0.103920 0.318823 O\n0.162628 0.551603 0.325302 O\n",
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}
]
}