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{
"id": "jvasp-86211",
"created_at": "2022-09-04T14:35:57.473238Z",
"updated_at": "2022-09-04T14:35:57.473255Z",
"structure_string": "Mn2 Bi2 Se4 I2\n1.0\n4.125839 -0.000000 0.000000\n-2.062919 6.708082 -0.147643\n0.000000 -0.053639 10.048345\nMn Bi Se I\n2 2 4 2\ndirect\n0.500000 0.000000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.787098 0.574196 0.192693 Bi\n0.212902 0.425803 0.807308 Bi\n0.569474 0.138947 0.755880 Se\n0.865166 0.730331 0.941207 Se\n0.430526 0.861052 0.244120 Se\n0.134834 0.269668 0.058793 Se\n0.863324 0.726647 0.569431 I\n0.136676 0.273353 0.430570 I\n",
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{
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"structure_string": "Mn2 Bi2 Se4 I2\n1.0\n4.125840 -0.000000 0.000000\n-2.062919 6.708082 -0.147643\n0.000000 -0.053639 10.048345\nMn Bi Se I\n2 2 4 2\ndirect\n0.500000 0.000000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.787098 0.574196 0.192693 Bi\n0.212902 0.425803 0.807308 Bi\n0.569474 0.138947 0.755880 Se\n0.865166 0.730331 0.941207 Se\n0.430526 0.861052 0.244120 Se\n0.134834 0.269668 0.058793 Se\n0.863324 0.726647 0.569431 I\n0.136676 0.273353 0.430570 I\n",
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{
"id": "jvasp-86742",
"created_at": "2022-09-04T14:35:49.740354Z",
"updated_at": "2022-09-04T14:35:49.740372Z",
"structure_string": "Dy2 Fe4 Si2 C2\n1.0\n3.742703 0.000000 0.000000\n-1.871351 5.230198 -0.000000\n0.000000 0.000000 6.725924\nDy Fe Si C\n2 4 2 2\ndirect\n0.949228 0.898457 0.250000 Dy\n0.050772 0.101543 0.750000 Dy\n0.664924 0.329849 0.062073 Fe\n0.335076 0.670151 0.562073 Fe\n0.664924 0.329849 0.437927 Fe\n0.335076 0.670151 0.937926 Fe\n0.229325 0.458649 0.250000 Si\n0.770675 0.541351 0.750000 Si\n0.500000 0.000000 0.000000 C\n0.500000 0.000000 0.500000 C\n",
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"volume": 131.6604852082662,
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"formula_full": "Dy2 Fe4 Si2 C2",
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"spacegroup": 63
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{
"id": "jvasp-85679",
"created_at": "2022-09-04T14:35:55.556054Z",
"updated_at": "2022-09-04T14:35:55.556082Z",
"structure_string": "Li2 H4 I2 O2\n1.0\n6.301453 0.000448 0.000000\n-0.000188 5.561005 0.000000\n0.000000 0.000000 4.346521\nLi H I O\n2 4 2 2\ndirect\n0.253160 0.746941 0.500000 Li\n0.753168 0.746503 0.500000 Li\n0.003440 0.400757 0.320892 H\n0.003440 0.400757 0.679108 H\n0.503319 0.092622 0.320884 H\n0.503319 0.092622 0.679116 H\n0.003237 0.005899 0.000000 I\n0.503268 0.487513 0.000000 I\n0.003370 0.511687 0.500000 O\n0.503274 0.981703 0.500000 O\n",
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"elements": [
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"density": 3.31122630346742,
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"formula_full": "Li2 H4 I2 O2",
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{
"id": "jvasp-108006",
"created_at": "2022-09-04T14:35:49.645325Z",
"updated_at": "2022-09-04T14:35:49.645355Z",
"structure_string": "Er2 Si2 Ru4 C2\n1.0\n5.893094 -0.009790 0.000000\n-4.685951 3.573585 0.000000\n-0.000000 -0.000000 7.118552\nEr Si Ru C\n2 2 4 2\ndirect\n0.546444 0.453557 0.250000 Er\n0.453556 0.546445 0.750000 Er\n0.268337 0.731664 0.250000 Si\n0.731663 0.268337 0.750000 Si\n0.836596 0.163404 0.055583 Ru\n0.163404 0.836598 0.944417 Ru\n0.163404 0.836598 0.555583 Ru\n0.836596 0.163404 0.444417 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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{
"id": "jvasp-87241",
"created_at": "2022-09-04T14:35:54.819664Z",
"updated_at": "2022-09-04T14:35:54.819674Z",
"structure_string": "La4 Ga4 Se8 O4\n1.0\n5.975884 0.000000 0.000000\n0.000000 5.981657 0.000000\n0.000000 0.000000 12.333999\nLa Ga Se O\n4 4 8 4\ndirect\n0.754210 0.497416 0.095872 La\n0.254210 0.002584 0.095872 La\n0.254210 0.502584 0.904128 La\n0.754210 0.997417 0.904128 La\n0.658485 0.077206 0.397922 Ga\n0.158485 0.922795 0.602078 Ga\n0.658485 0.577206 0.602078 Ga\n0.158485 0.422795 0.397922 Ga\n0.255319 0.006748 0.781401 Se\n0.755319 0.493252 0.781401 Se\n0.750341 0.979021 0.587373 Se\n0.250342 0.520980 0.587373 Se\n0.250342 0.020980 0.412627 Se\n0.255319 0.506749 0.218599 Se\n0.755319 0.993252 0.218599 Se\n0.750341 0.479020 0.412627 Se\n0.500942 0.749394 0.001407 O\n0.000942 0.250607 0.998593 O\n0.000942 0.750607 0.001407 O\n0.500942 0.249394 0.998593 O\n",
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"density": 5.763247935110381,
"density_atomic": 0.04536306830307027,
"volume": 440.8872844839368,
"volume_molar": 13.275426432282156,
"formula_full": "La4 Ga4 Se8 O4",
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{
"id": "jvasp-95175",
"created_at": "2022-09-04T14:35:56.552594Z",
"updated_at": "2022-09-04T14:35:56.552615Z",
"structure_string": "K4 N4 O4 F8\n1.0\n6.302075 0.000000 0.000000\n0.000000 6.890843 0.000000\n0.000000 0.000000 7.227023\nK N O F\n4 4 4 8\ndirect\n0.750001 0.885230 0.617170 K\n0.750001 0.385230 0.882829 K\n0.250000 0.614770 0.117171 K\n0.250000 0.114770 0.382829 K\n0.250000 0.019857 0.795351 N\n0.750001 0.980143 0.204648 N\n0.250000 0.519857 0.704648 N\n0.750001 0.480143 0.295352 N\n0.250000 0.050671 0.949431 O\n0.750001 0.949329 0.050569 O\n0.750001 0.449329 0.449431 O\n0.250000 0.550671 0.550568 O\n0.481253 0.672085 0.812030 F\n0.981254 0.327914 0.187970 F\n0.018747 0.672085 0.812030 F\n0.981254 0.827914 0.312030 F\n0.481253 0.172086 0.687970 F\n0.518747 0.827914 0.312030 F\n0.018747 0.172086 0.687970 F\n0.518747 0.327914 0.187970 F\n",
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{
"id": "jvasp-86639",
"created_at": "2022-09-04T14:35:48.310630Z",
"updated_at": "2022-09-04T14:35:48.310660Z",
"structure_string": "La2 C2 N4 Cl2\n1.0\n4.019722 0.000000 0.000000\n0.000000 5.268761 -0.998451\n0.000000 -0.001570 7.567430\nLa C N Cl\n2 2 4 2\ndirect\n0.750000 0.175585 0.737088 La\n0.250000 0.824415 0.262912 La\n0.750000 0.347951 0.358902 C\n0.250000 0.652049 0.641098 C\n0.250000 0.431163 0.659356 N\n0.250000 0.876401 0.618975 N\n0.750000 0.123599 0.381025 N\n0.750000 0.568837 0.340644 N\n0.750000 0.744036 0.956182 Cl\n0.250000 0.255964 0.043818 Cl\n",
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{
"id": "jvasp-110901",
"created_at": "2022-09-04T14:38:37.478582Z",
"updated_at": "2022-09-04T14:38:37.478609Z",
"structure_string": "La2 Si2 Os4 C2\n1.0\n5.962674 0.000235 0.000000\n-4.590996 3.804764 0.000000\n0.000000 0.000000 7.231671\nLa Si Os C\n2 2 4 2\ndirect\n0.550492 0.449506 0.250000 La\n0.449505 0.550492 0.750000 La\n0.271018 0.728979 0.250000 Si\n0.728979 0.271019 0.750000 Si\n0.834107 0.165890 0.059194 Os\n0.165889 0.834108 0.940806 Os\n0.165889 0.834108 0.559194 Os\n0.834107 0.165890 0.440806 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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{
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"created_at": "2022-09-04T14:38:38.400464Z",
"updated_at": "2022-09-04T14:38:38.400484Z",
"structure_string": "U1 Re1 Si2 Ru1\n1.0\n3.887755 -0.020268 -4.064101\n-0.640507 3.834684 -4.064101\n0.017255 0.020268 5.624167\nU Re Si Ru\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 U\n0.249999 0.749999 0.499999 Re\n0.625687 0.625686 -0.000000 Si\n0.374313 0.374312 -0.000000 Si\n0.750000 0.250000 0.500000 Ru\n",
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{
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"structure_string": "Ba2 Bi2 Br2 O4\n1.0\n7.336809 0.035909 0.000000\n-4.887179 5.472251 0.000000\n-0.000000 -0.000000 5.834904\nBa Bi Br O\n2 2 2 4\ndirect\n0.613134 0.386866 0.250000 Ba\n0.386866 0.613134 0.750000 Ba\n0.925501 0.074499 0.250000 Bi\n0.074499 0.925501 0.750000 Bi\n0.253280 0.746720 0.250000 Br\n0.746720 0.253280 0.750000 Br\n0.226526 0.226526 -0.000000 O\n0.773474 0.773474 -0.000000 O\n0.773474 0.773474 0.500000 O\n0.226526 0.226526 0.500000 O\n",
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{
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"structure_string": "Ce1 Cu1 Si2 Ni1\n1.0\n3.784155 -0.009091 -4.156086\n-0.573553 3.740447 -4.156086\n0.007822 0.009091 5.620749\nCe Cu Si Ni\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.750000 0.500000 Cu\n0.624302 0.624303 -0.000001 Si\n0.375697 0.375698 -0.000000 Si\n0.749999 0.250000 0.499999 Ni\n",
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}