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{
"id": "jvasp-42221",
"created_at": "2022-09-04T14:35:46.011177Z",
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{
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"structure_string": "Mg2 Cu4 O6\n1.0\n3.203729 0.000000 0.000000\n-0.000000 4.065922 0.000000\n0.000000 0.000000 9.441304\nMg Cu O\n2 4 6\ndirect\n0.615692 0.750000 0.750000 Mg\n0.384308 0.250000 0.250000 Mg\n0.839066 0.750000 0.086539 Cu\n0.839066 0.750000 0.413461 Cu\n0.160935 0.250000 0.913461 Cu\n0.160935 0.250000 0.586538 Cu\n0.110234 0.750000 0.597816 O\n0.110234 0.750000 0.902183 O\n0.889767 0.250000 0.402184 O\n0.485130 0.750000 0.250000 O\n0.514871 0.250000 0.750000 O\n0.889767 0.250000 0.097816 O\n",
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{
"id": "jvasp-85476",
"created_at": "2022-09-04T14:35:43.080862Z",
"updated_at": "2022-09-04T14:35:43.080887Z",
"structure_string": "Zr3 Co9 B6\n1.0\n5.700271 -0.019969 -0.460803\n-0.497923 5.678589 -0.460772\n-0.018377 -0.019958 5.718874\nZr Co B\n3 9 6\ndirect\n0.330303 0.330309 0.330305 Zr\n0.669696 0.669691 0.669695 Zr\n0.000000 -0.000000 -0.000000 Zr\n0.500000 -0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.803544 0.305417 0.305408 Co\n0.694589 0.196456 0.694580 Co\n-0.000000 -0.000000 0.500000 Co\n0.305411 0.803544 0.305419 Co\n0.305416 0.305411 0.803544 Co\n0.694584 0.694588 0.196456 Co\n0.196455 0.694583 0.694592 Co\n0.623756 -0.000000 0.376244 B\n0.376241 0.623752 -0.000004 B\n-0.000000 0.623755 0.376244 B\n0.000000 0.376245 0.623755 B\n0.623760 0.376247 0.000005 B\n0.376243 0.000000 0.623756 B\n",
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{
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"created_at": "2022-09-04T14:35:41.740508Z",
"updated_at": "2022-09-04T14:35:41.740536Z",
"structure_string": "Th2 Mn1 N3\n1.0\n3.429432 -0.000000 -0.909397\n-0.279921 3.695739 -1.055611\n-0.007989 -0.041576 6.890945\nTh Mn N\n2 1 3\ndirect\n0.643977 0.643977 0.287953 Th\n0.356023 0.356022 0.712046 Th\n0.000000 0.000000 0.000000 Mn\n0.837140 0.837140 0.674280 N\n0.162859 0.162859 0.325719 N\n0.000000 0.500000 0.000000 N\n",
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"volume": 87.14985998062053,
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{
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"created_at": "2022-09-04T14:35:44.059093Z",
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"structure_string": "Sc1 B2 Ir3\n1.0\n4.714869 2.721753 -0.050238\n-4.714869 2.721753 -0.050238\n0.000000 0.056851 3.077234\nSc B Ir\n1 2 3\ndirect\n0.499999 0.499999 0.499999 Sc\n0.166673 0.833326 0.499999 B\n0.833326 0.166673 0.499999 B\n0.000000 0.000000 0.000000 Ir\n0.500000 -0.000000 -0.000000 Ir\n-0.000000 0.500000 -0.000000 Ir\n",
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{
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"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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{
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"created_at": "2022-09-04T14:35:41.089859Z",
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"structure_string": "Nd1 B2 Ru3\n1.0\n2.784257 -4.822475 0.000000\n2.784257 4.822475 0.000000\n-0.000000 -0.000000 3.048550\nNd B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.333334 0.666667 0.000000 B\n0.666667 0.333334 0.000000 B\n0.500001 0.500001 0.500000 Ru\n0.500000 0.000001 0.500000 Ru\n0.000001 0.500000 0.500000 Ru\n",
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{
"id": "jvasp-42239",
"created_at": "2022-09-04T14:35:43.404620Z",
"updated_at": "2022-09-04T14:35:43.404638Z",
"structure_string": "Fe8 O12 F4\n1.0\n5.328539 0.007675 0.015755\n-2.224096 4.842072 -0.017221\n-2.083678 -2.082152 8.961190\nFe O F\n8 12 4\ndirect\n0.873335 0.372112 0.749494 Fe\n0.631617 0.098201 0.233848 Fe\n0.742302 0.736825 0.498142 Fe\n0.257281 0.251783 0.498142 Fe\n0.489393 0.492455 0.000848 Fe\n0.115050 0.646034 0.265140 Fe\n0.373332 0.872117 0.749496 Fe\n0.004369 0.007407 0.000846 Fe\n0.046106 0.855790 0.405941 O\n0.226730 0.925605 0.152705 O\n0.268802 0.575241 0.847199 O\n0.519935 0.818633 0.346284 O\n0.023608 0.322275 0.346279 O\n0.453362 0.634984 0.592392 O\n0.477869 0.168989 0.651788 O\n0.293306 0.109252 0.906596 O\n0.978758 0.669894 0.651791 O\n0.723057 0.421966 0.152712 O\n0.767908 0.074330 0.847195 O\n0.700557 0.888446 0.093045 O\n0.800913 0.586153 0.891135 F\n0.945766 0.158073 0.607860 F\n0.561459 0.321255 0.386747 F\n0.185198 0.422979 0.112237 F\n",
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{
"id": "jvasp-47535",
"created_at": "2022-09-04T14:35:41.400439Z",
"updated_at": "2022-09-04T14:35:41.400466Z",
"structure_string": "Rb4 Co2 O6\n1.0\n6.266872 0.115182 -0.000000\n-2.104930 5.903916 0.000000\n0.000000 0.000000 5.371094\nRb Co O\n4 2 6\ndirect\n0.183015 0.505065 0.740022 Rb\n0.494935 0.816986 0.240022 Rb\n0.505064 0.183014 0.740022 Rb\n0.816985 0.494936 0.240022 Rb\n0.072434 0.072434 0.240008 Co\n0.927566 0.927567 0.740007 Co\n0.119475 0.880443 0.990026 O\n0.119558 0.880525 0.490026 O\n0.320456 0.320456 0.239893 O\n0.679544 0.679544 0.739893 O\n0.880442 0.119475 0.990026 O\n0.880524 0.119557 0.490026 O\n",
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"spacegroup": 63
},
{
"id": "jvasp-86997",
"created_at": "2022-09-04T14:35:41.881393Z",
"updated_at": "2022-09-04T14:35:41.881423Z",
"structure_string": "Ca2 Cu4 O6\n1.0\n3.584597 0.000000 0.000000\n-0.000000 4.156873 0.000000\n0.000000 0.000000 10.023060\nCa Cu O\n2 4 6\ndirect\n0.380247 0.250000 0.250000 Ca\n0.619754 0.749999 0.750000 Ca\n0.131544 0.250000 0.914483 Cu\n0.131544 0.250000 0.585517 Cu\n0.868456 0.749999 0.085517 Cu\n0.868456 0.749999 0.414483 Cu\n0.620111 0.749999 0.250000 O\n0.379890 0.250000 0.750000 O\n0.900130 0.250000 0.415422 O\n0.099871 0.749999 0.915422 O\n0.099871 0.749999 0.584578 O\n0.900130 0.250000 0.084578 O\n",
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{
"id": "jvasp-52477",
"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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{
"id": "jvasp-86403",
"created_at": "2022-09-04T14:35:45.711918Z",
"updated_at": "2022-09-04T14:35:45.711948Z",
"structure_string": "Sr2 Cu4 O6\n1.0\n3.507767 0.000000 0.000000\n0.000000 3.976190 0.000000\n0.000000 0.000000 11.589070\nSr Cu O\n2 4 6\ndirect\n0.499354 0.750000 0.750000 Sr\n0.500646 0.250000 0.250000 Sr\n0.000490 0.750000 0.084816 Cu\n-0.000490 0.250000 0.915184 Cu\n0.000490 0.750000 0.415184 Cu\n-0.000490 0.250000 0.584816 Cu\n0.999124 0.250000 0.750000 O\n0.000877 0.750000 0.250000 O\n0.999540 0.750000 0.579896 O\n0.999540 0.750000 0.920104 O\n0.000461 0.250000 0.079896 O\n0.000461 0.250000 0.420104 O\n",
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"formula_full": "Sr2 Cu4 O6",
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]
}