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{
"id": "jvasp-43006",
"created_at": "2022-09-04T14:35:53.327058Z",
"updated_at": "2022-09-04T14:35:53.327084Z",
"structure_string": "Li2 Mn3 Te1 O8\n1.0\n6.240903 0.262859 0.185869\n3.348093 5.273351 0.185869\n3.348093 1.933023 4.909806\nLi Mn Te O\n2 3 1 8\ndirect\n0.115523 0.115523 0.115523 Li\n0.884476 0.884476 0.884478 Li\n-0.000000 0.499999 0.500001 Mn\n0.499999 -0.000000 0.500001 Mn\n0.499999 0.500000 0.000000 Mn\n0.499999 0.500000 0.500001 Te\n0.268940 0.268940 0.268941 O\n0.248364 0.248364 0.715896 O\n0.248364 0.715894 0.248365 O\n0.715894 0.248364 0.248365 O\n0.284104 0.751635 0.751637 O\n0.751635 0.284105 0.751637 O\n0.751635 0.751635 0.284106 O\n0.731059 0.731059 0.731061 O\n",
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{
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"structure_string": "Fe2 B4 O8\n1.0\n2.778344 4.828477 0.021008\n-2.778344 4.828477 0.021008\n0.000000 1.449815 4.198071\nFe B O\n2 4 8\ndirect\n0.371532 0.628470 0.750000 Fe\n0.628469 0.371531 0.250001 Fe\n0.921970 0.709525 0.370989 B\n0.290476 0.078030 0.129012 B\n0.078031 0.290476 0.629012 B\n0.709525 0.921971 0.870989 B\n0.497827 0.799706 0.020833 O\n0.200295 0.502173 0.479168 O\n0.502174 0.200295 0.979168 O\n0.799706 0.497828 0.520833 O\n0.953579 0.772338 0.027248 O\n0.227662 0.046421 0.472753 O\n0.046422 0.227663 0.972752 O\n0.772339 0.953580 0.527248 O\n",
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{
"id": "jvasp-85621",
"created_at": "2022-09-04T14:35:58.322429Z",
"updated_at": "2022-09-04T14:35:58.322460Z",
"structure_string": "Mn2 V4 O8\n1.0\n5.216887 -0.002158 3.013780\n1.737564 4.918146 3.012615\n0.000702 -0.000839 6.026257\nMn V O\n2 4 8\ndirect\n0.124984 0.125032 0.124996 Mn\n0.875013 0.874969 0.875002 Mn\n0.499998 0.500000 0.000001 V\n0.500000 -0.000000 0.500000 V\n0.500001 0.500002 0.500001 V\n0.000001 0.500000 0.499999 V\n0.716597 0.261340 0.260953 O\n0.738889 0.739033 0.738674 O\n0.261110 0.260965 0.261325 O\n0.260955 0.261127 0.716591 O\n0.738679 0.283380 0.738892 O\n0.283401 0.738661 0.739050 O\n0.739047 0.738874 0.283406 O\n0.261321 0.716620 0.261110 O\n",
"nsites": 14,
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{
"id": "jvasp-53575",
"created_at": "2022-09-04T14:35:53.059848Z",
"updated_at": "2022-09-04T14:35:53.059868Z",
"structure_string": "Pr4 Pb2 S8\n1.0\n7.132198 -0.004808 -2.518669\n-3.570263 6.174259 -2.518668\n0.002775 0.004808 7.563856\nPr Pb S\n4 2 8\ndirect\n0.116373 0.750000 0.866373 Pr\n0.250001 0.616373 0.366373 Pr\n0.383628 0.250000 0.633628 Pr\n0.750001 0.883628 0.133628 Pr\n0.625000 0.375000 0.250000 Pb\n0.875001 0.125000 0.750001 Pb\n0.008694 0.855562 0.498384 S\n0.010310 0.357178 0.501617 S\n0.489691 0.991307 0.346868 S\n0.144439 0.142822 0.153132 S\n0.355562 0.508694 0.998385 S\n0.642823 0.644439 0.653133 S\n0.491308 0.989691 0.846869 S\n0.857178 0.510309 0.001616 S\n",
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{
"id": "jvasp-50371",
"created_at": "2022-09-04T14:36:01.809223Z",
"updated_at": "2022-09-04T14:36:01.809247Z",
"structure_string": "Y4 Hg2 O8\n1.0\n3.620209 -0.002149 -0.001662\n-1.806183 6.825047 0.024123\n-1.806402 -1.403684 8.524101\nY Hg O\n4 2 8\ndirect\n0.158597 0.776970 0.537865 Y\n0.361459 0.521035 0.199375 Y\n0.640210 0.478982 0.799187 Y\n0.843075 0.223028 0.460687 Y\n0.048752 0.935605 0.159337 Hg\n0.952876 0.064411 0.839210 Hg\n0.621450 0.853499 0.386941 O\n0.852328 0.648985 0.053172 O\n0.753068 0.786773 0.717130 O\n0.930775 0.512350 0.346745 O\n0.070884 0.487646 0.651811 O\n0.248600 0.213236 0.281425 O\n0.149319 0.351030 0.945383 O\n0.380211 0.146479 0.611598 O\n",
"nsites": 14,
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{
"id": "jvasp-89035",
"created_at": "2022-09-04T14:35:48.882937Z",
"updated_at": "2022-09-04T14:35:48.882963Z",
"structure_string": "Tl4 Mo2 O8\n1.0\n6.178258 -0.034325 0.134059\n2.816364 5.499103 0.134059\n0.049462 0.030050 8.029988\nTl Mo O\n4 2 8\ndirect\n0.675704 0.654272 0.176423 Tl\n0.345728 0.324296 0.823578 Tl\n0.048593 0.951406 0.500000 Tl\n-0.002761 0.002761 0.000000 Tl\n0.358676 0.313855 0.307734 Mo\n0.686144 0.641324 0.692267 Mo\n0.218452 0.598938 0.199372 O\n0.401061 0.781548 0.800629 O\n0.296255 0.097859 0.201847 O\n0.902140 0.703745 0.798153 O\n0.676510 0.225175 0.299965 O\n0.774825 0.323490 0.700035 O\n0.649191 0.759922 0.484914 O\n0.240078 0.350808 0.515086 O\n",
"nsites": 14,
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],
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"density_atomic": 0.05118008602499487,
"volume": 273.5438934815937,
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"formula_full": "Tl4 Mo2 O8",
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"spacegroup": 5
},
{
"id": "jvasp-86297",
"created_at": "2022-09-04T14:35:59.077028Z",
"updated_at": "2022-09-04T14:35:59.077059Z",
"structure_string": "Hg2 C4 Se4 N4\n1.0\n4.249415 0.000036 -0.000045\n0.000036 6.165178 -0.229561\n-0.000142 -0.002242 11.542277\nHg C Se N\n2 4 4 4\ndirect\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.214667 0.449073 0.628488 C\n0.785333 0.550928 0.371512 C\n0.644723 0.837252 0.842996 C\n0.855291 0.837260 0.342992 C\n0.355277 0.162749 0.157004 Se\n0.144710 0.162741 0.657008 Se\n0.285329 0.449090 0.128488 Se\n0.714671 0.550912 0.871512 Se\n0.749942 0.364706 0.883148 N\n0.250058 0.635295 0.116852 N\n0.750060 0.364724 0.383150 N\n0.249940 0.635278 0.616850 N\n",
"nsites": 14,
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],
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{
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"created_at": "2022-09-04T14:35:53.228037Z",
"updated_at": "2022-09-04T14:35:53.228061Z",
"structure_string": "Li4 Co3 O3 F4\n1.0\n0.000000 -2.050558 -2.050558\n0.000000 2.050558 -2.050558\n14.741694 -0.000000 2.050558\nLi Co O F\n4 3 3 4\ndirect\n0.219370 0.219370 0.438739 Li\n0.788089 0.788089 0.576177 Li\n0.354768 0.354768 0.709538 Li\n0.923488 0.923488 0.846974 Li\n0.498458 0.498458 0.996913 Co\n0.071429 0.071429 0.142857 Co\n0.644401 0.644401 0.288800 Co\n0.995471 0.995471 0.990939 O\n0.571430 0.571430 0.142857 O\n0.147387 0.147387 0.294775 O\n0.721034 0.721034 0.442068 F\n0.287671 0.287671 0.575342 F\n0.855187 0.855187 0.710371 F\n0.421823 0.421823 0.843647 F\n",
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"volume": 123.97139934513204,
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"formula_full": "Li4 Co3 O3 F4",
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{
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"created_at": "2022-09-04T14:35:53.384917Z",
"updated_at": "2022-09-04T14:35:53.384928Z",
"structure_string": "Li2 Fe2 Co2 O8\n1.0\n5.635045 0.027915 0.076544\n0.046326 5.634924 0.076544\n2.857221 2.847902 4.088592\nLi Fe Co O\n2 2 2 8\ndirect\n0.000001 0.500000 -0.000001 Li\n0.500000 -0.000000 0.499999 Li\n0.000001 0.500000 0.499999 Fe\n0.500000 -0.000000 -0.000001 Fe\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.235155 0.210444 0.027248 O\n0.239689 0.760279 0.020547 O\n0.210445 0.235155 0.527247 O\n0.239722 0.760312 0.479451 O\n0.760279 0.239688 0.520546 O\n0.789557 0.764845 0.472750 O\n0.760312 0.239721 0.979451 O\n0.764846 0.789555 0.972750 O\n",
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{
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"created_at": "2022-09-04T14:35:58.868105Z",
"updated_at": "2022-09-04T14:35:58.868121Z",
"structure_string": "Zr2 Ni8 As4\n1.0\n7.109581 0.000000 0.000000\n0.000000 7.109581 0.000000\n0.000000 0.000000 3.769158\nZr Ni As\n2 8 4\ndirect\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.344339 0.089882 0.000000 Ni\n0.655661 0.910118 0.000000 Ni\n0.589882 0.155661 0.500000 Ni\n0.410118 0.844339 0.500000 Ni\n0.844339 0.410118 0.500000 Ni\n0.155661 0.589882 0.500000 Ni\n0.089882 0.344339 0.000000 Ni\n0.910118 0.655661 0.000000 Ni\n0.783765 0.216235 0.000000 As\n0.216235 0.783765 0.000000 As\n0.716235 0.716235 0.500000 As\n0.283765 0.283765 0.500000 As\n",
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{
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"created_at": "2022-09-04T14:38:12.276761Z",
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"structure_string": "Li1 Ti4 V1 O8\n1.0\n5.812915 0.013075 -0.014619\n-0.090223 5.877983 0.036609\n-2.843231 -2.944163 4.166530\nLi Ti V O\n1 4 1 8\ndirect\n0.500000 0.000001 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500001 0.500000 -0.000000 Ti\n0.000000 0.500000 0.000000 V\n0.239827 0.250000 -0.010639 O\n0.784928 0.255621 0.522419 O\n0.751089 0.752298 0.499180 O\n0.248733 0.748657 0.000784 O\n0.751269 0.251344 0.999216 O\n0.248912 0.247703 0.500820 O\n0.215073 0.744380 0.477581 O\n0.760174 0.750001 0.010639 O\n",
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"structure_string": "Li2 Ni2 P2 O8\n1.0\n-2.767532 4.634724 0.000000\n2.767532 0.000000 5.518389\n2.767532 4.634724 0.000000\nLi Ni P O\n2 2 2 8\ndirect\n0.806525 0.250000 0.806525 Li\n0.556525 0.750000 0.556525 Li\n0.442892 0.250000 0.442891 Ni\n0.192892 0.750000 0.192892 Ni\n0.121659 0.250000 0.121658 P\n0.871658 0.750000 0.871658 P\n0.777687 0.104415 0.269979 O\n0.294773 0.088897 0.161484 O\n0.750383 0.588897 0.205876 O\n0.874394 0.604415 0.673271 O\n0.161484 0.411104 0.294773 O\n0.269979 0.395585 0.777686 O\n0.673272 0.895585 0.874393 O\n0.205876 0.911104 0.750382 O\n",
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]
}