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{
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{
"id": "jvasp-109357",
"created_at": "2022-09-04T14:38:03.042188Z",
"updated_at": "2022-09-04T14:38:03.042217Z",
"structure_string": "Sr1 Pr1 Mn1 O4\n1.0\n3.672986 -0.029491 -5.794793\n-0.334218 3.657868 -5.794793\n0.027137 0.029491 6.860737\nSr Pr Mn O\n1 1 1 4\ndirect\n0.642604 0.642604 0.000001 Sr\n0.359777 0.359777 0.000001 Pr\n0.003127 0.003127 0.000000 Mn\n0.834899 0.834899 0.000002 O\n0.172131 0.172131 0.000000 O\n0.993732 0.493731 0.500002 O\n0.493731 0.993732 0.500002 O\n",
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{
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"structure_string": "Ce2 Nb2 O8\n1.0\n4.880908 -0.074205 -1.778940\n-1.330964 4.918889 -2.044859\n-0.001322 0.037949 6.675667\nCe Nb O\n2 2 8\ndirect\n0.881906 0.131905 0.763811 Ce\n0.118095 0.868095 0.236189 Ce\n0.347403 0.597402 0.694806 Nb\n0.652599 0.402598 0.305194 Nb\n0.291925 0.142690 0.081229 O\n0.789305 0.438539 0.081229 O\n0.708076 0.857310 0.918771 O\n0.210697 0.561461 0.918771 O\n0.497176 0.710787 0.439375 O\n0.942199 0.228585 0.439375 O\n0.502825 0.289212 0.560626 O\n0.057802 0.771414 0.560626 O\n",
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{
"id": "jvasp-25783",
"created_at": "2022-09-04T14:37:37.993946Z",
"updated_at": "2022-09-04T14:37:37.993974Z",
"structure_string": "Na4 Ca6 Si6 O20\n1.0\n5.172452 0.000000 -0.000000\n-2.586226 8.161291 -0.410955\n-0.000000 0.004919 11.375659\nNa Ca Si O\n4 6 6 20\ndirect\n0.723688 0.913585 0.034344 Na\n0.189896 0.913585 0.534344 Na\n0.810103 0.086415 0.465656 Na\n0.276311 0.086415 0.965656 Na\n0.085203 0.696480 0.792011 Ca\n0.611277 0.696480 0.292011 Ca\n-0.000000 0.500000 0.500000 Ca\n0.388722 0.303520 0.707989 Ca\n0.914796 0.303520 0.207989 Ca\n0.499999 0.500000 0.000000 Ca\n0.463039 0.302909 0.397195 Si\n0.839869 0.302909 0.897195 Si\n0.536960 0.697091 0.602805 Si\n0.160130 0.697091 0.102805 Si\n0.795182 0.000000 0.750000 Si\n0.204818 0.000000 0.250000 Si\n0.080130 0.087382 0.150379 O\n0.236513 0.544510 0.162303 O\n0.763486 0.455490 0.837697 O\n0.348424 0.864681 0.185351 O\n0.153743 0.310669 0.391313 O\n0.843074 0.689331 0.108688 O\n0.307996 0.544510 0.662303 O\n0.992747 0.912618 0.349622 O\n0.846255 0.689331 0.608688 O\n0.581171 0.282237 0.527351 O\n0.701066 0.282237 0.027351 O\n0.516257 0.864682 0.685351 O\n0.418828 0.717763 0.472649 O\n0.483742 0.135318 0.314650 O\n0.007252 0.087382 0.650379 O\n0.919869 0.912618 0.849622 O\n0.651575 0.135319 0.814650 O\n0.156925 0.310669 0.891313 O\n0.298933 0.717763 0.972649 O\n0.692003 0.455490 0.337697 O\n",
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"elements": [
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],
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"formula_full": "Na4 Ca6 Si6 O20",
"formula_reduced": "Na2Ca3Si3O10",
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{
"id": "jvasp-103051",
"created_at": "2022-09-04T14:36:37.448513Z",
"updated_at": "2022-09-04T14:36:37.448531Z",
"structure_string": "Sr1 La1 Cu1 O4\n1.0\n3.706135 0.012945 -5.773090\n-0.308100 3.693329 -5.773090\n-0.011869 -0.012945 6.860311\nSr La Cu O\n1 1 1 4\ndirect\n0.639532 0.639532 0.000002 Sr\n0.360305 0.360305 0.000001 La\n0.002932 0.002932 0.000000 Cu\n0.994671 0.494670 0.500002 O\n0.494670 0.994670 0.500001 O\n0.834985 0.834985 0.000002 O\n0.172910 0.172910 0.000000 O\n",
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"volume": 93.37895550973634,
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"formula_full": "Sr1 La1 Cu1 O4",
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{
"id": "jvasp-12197",
"created_at": "2022-09-04T14:36:46.980964Z",
"updated_at": "2022-09-04T14:36:46.980991Z",
"structure_string": "Sn2 O4\n1.0\n-2.800157 -1.643549 -0.036578\n0.004828 3.210256 -0.489121\n-0.973573 1.867492 -9.297615\nSn O\n2 4\ndirect\n0.997694 -0.000478 0.502079 Sn\n0.997865 -0.000048 0.002074 Sn\n0.740046 0.484281 0.388440 O\n0.589086 0.182346 0.115367 O\n0.255344 0.514771 0.615724 O\n0.406639 0.817567 0.888776 O\n",
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"volume": 80.04948982794845,
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"formula_full": "Sn2 O4",
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{
"id": "jvasp-8395",
"created_at": "2022-09-04T14:37:11.997519Z",
"updated_at": "2022-09-04T14:37:11.997539Z",
"structure_string": "Sn2 O4\n1.0\n-3.246586 -0.030561 0.045311\n1.604096 2.783852 0.470372\n-0.109804 -2.153217 -9.286961\nSn O\n2 4\ndirect\n0.002311 0.000399 0.502139 Sn\n0.002142 0.000136 0.002008 Sn\n0.259912 0.515608 0.388501 O\n0.410947 0.817771 0.115307 O\n0.744683 0.485158 0.615784 O\n0.593326 0.182485 0.888717 O\n",
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},
{
"id": "jvasp-116786",
"created_at": "2022-09-04T14:38:45.263964Z",
"updated_at": "2022-09-04T14:38:45.264000Z",
"structure_string": "K4 V2 H4 O2 F10\n1.0\n6.097842 -0.039450 0.548440\n1.103193 5.997321 0.548379\n0.007870 0.006568 8.017809\nK V H O F\n4 2 4 2 10\ndirect\n0.302977 0.292953 0.030132 K\n0.707046 0.697022 0.469868 K\n0.697022 0.707048 0.969866 K\n0.292952 0.302979 0.530135 K\n0.794462 0.205538 0.250000 V\n0.205537 0.794462 0.750000 V\n0.100933 0.845986 0.154474 H\n0.154012 0.899065 0.345526 H\n0.899067 0.154014 0.845527 H\n0.845987 0.100935 0.654473 H\n0.943523 0.056479 0.749999 O\n0.056477 0.943522 0.250002 O\n0.455088 0.544911 0.750001 F\n0.544912 0.455088 0.250000 F\n0.396511 0.993968 0.800206 F\n0.006031 0.603490 0.699795 F\n0.603488 0.006032 0.199797 F\n0.993969 0.396510 0.300204 F\n0.277395 0.861650 0.509052 F\n0.138349 0.722606 0.990948 F\n0.722605 0.138351 0.490945 F\n0.861650 0.277394 0.009054 F\n",
"nsites": 22,
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{
"id": "jvasp-71224",
"created_at": "2022-09-04T14:36:22.035107Z",
"updated_at": "2022-09-04T14:36:22.035136Z",
"structure_string": "Na1 Be1 Ni2\n1.0\n2.805442 0.000000 -0.000000\n0.000000 2.805442 -0.000000\n-0.000000 0.000000 6.780878\nNa Be Ni\n1 1 2\ndirect\n0.500000 0.500000 0.747557 Na\n0.000000 0.000000 0.404075 Be\n0.000000 0.000000 0.063898 Ni\n0.500000 0.500000 0.284470 Ni\n",
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},
{
"id": "jvasp-81498",
"created_at": "2022-09-04T14:37:11.721745Z",
"updated_at": "2022-09-04T14:37:11.721766Z",
"structure_string": "Sc1 Ag1 O2\n1.0\n-1.585476 2.746126 -0.000000\n-3.170954 0.000000 0.000000\n-1.585476 0.915376 6.128863\nSc Ag O\n1 1 2\ndirect\n0.002029 0.002029 0.993916 Sc\n0.841110 0.841108 0.476675 Ag\n0.724055 0.724053 0.827841 O\n0.273812 0.273811 0.178565 O\n",
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},
{
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"structure_string": "Mo1 O1 F4\n1.0\n-3.136739 3.136739 2.034118\n3.136739 -3.136739 2.034118\n3.136739 3.136739 -2.034118\nMo O F\n1 1 4\ndirect\n0.985325 0.985325 0.000000 Mo\n0.571089 0.571089 0.000000 O\n0.990789 0.353397 0.191936 F\n0.798853 0.990789 0.637392 F\n0.353395 0.161459 0.362607 F\n0.161459 0.798851 0.808062 F\n",
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{
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"created_at": "2022-09-04T14:36:57.330976Z",
"updated_at": "2022-09-04T14:36:57.331009Z",
"structure_string": "Sn2 O4\n1.0\n-3.246639 -0.031373 0.044476\n1.603425 2.783731 0.473583\n-0.105921 -2.144122 -9.290011\nSn O\n2 4\ndirect\n0.002196 0.000384 0.502050 Sn\n0.002247 0.000142 0.002103 Sn\n0.259775 0.515600 0.388422 O\n0.411106 0.817792 0.115386 O\n0.744618 0.485153 0.615678 O\n0.593389 0.182492 0.888817 O\n",
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},
{
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"created_at": "2022-09-04T14:36:51.587424Z",
"updated_at": "2022-09-04T14:36:51.587450Z",
"structure_string": "Ti1 Fe6 Ge6\n1.0\n2.507483 -4.343087 0.000000\n2.507483 4.343087 -0.000000\n-0.000000 0.000000 7.964303\nTi Fe Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Ti\n-0.000000 0.500000 0.248900 Fe\n0.500000 -0.000000 0.248900 Fe\n0.499999 0.499999 0.248900 Fe\n-0.000000 0.500000 0.751100 Fe\n0.500000 -0.000000 0.751100 Fe\n0.499999 0.499999 0.751100 Fe\n0.333332 0.666667 0.500000 Ge\n0.666667 0.333332 0.500000 Ge\n0.333332 0.666667 0.000000 Ge\n0.666667 0.333332 0.000000 Ge\n0.000000 0.000000 0.665376 Ge\n0.000000 0.000000 0.334624 Ge\n",
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"volume": 173.4659729806874,
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}
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}