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{
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{
"id": "jvasp-55469",
"created_at": "2022-09-04T14:37:29.075733Z",
"updated_at": "2022-09-04T14:37:29.075762Z",
"structure_string": "Sc2 Zn2 Mo6 O16\n1.0\n2.912908 -5.045305 0.000000\n2.912908 5.045305 -0.000000\n0.000000 0.000000 10.124411\nSc Zn Mo O\n2 2 6 16\ndirect\n0.666667 0.333333 0.986169 Sc\n0.333333 0.666667 0.486169 Sc\n0.666667 0.333333 0.547208 Zn\n0.333333 0.666667 0.047208 Zn\n0.855665 0.711330 0.248972 Mo\n0.144336 0.855665 0.748972 Mo\n0.711330 0.855665 0.748972 Mo\n0.144336 0.288671 0.748972 Mo\n0.288671 0.144336 0.248972 Mo\n0.855665 0.144336 0.248972 Mo\n0.489453 0.510547 0.633788 O\n0.666667 0.333333 0.352452 O\n0.333333 0.666667 0.852452 O\n0.000000 0.000000 0.108492 O\n0.000000 0.000000 0.608492 O\n0.510547 0.489453 0.133788 O\n0.021093 0.510547 0.633788 O\n0.165015 0.834986 0.371399 O\n0.165015 0.330030 0.371399 O\n0.330030 0.165015 0.871399 O\n0.834986 0.165015 0.871399 O\n0.489454 0.978907 0.633788 O\n0.669971 0.834986 0.371399 O\n0.834986 0.669971 0.871399 O\n0.510547 0.021093 0.133788 O\n0.978907 0.489454 0.133788 O\n",
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{
"id": "jvasp-49715",
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"structure_string": "Sc2 Zn2 Mo6 O16\n1.0\n2.912861 -5.045224 -0.000000\n2.912861 5.045224 0.000000\n0.000000 0.000000 10.124470\nSc Zn Mo O\n2 2 6 16\ndirect\n0.666667 0.333333 0.013829 Sc\n0.333333 0.666667 0.513829 Sc\n0.666667 0.333333 0.452784 Zn\n0.333333 0.666667 0.952784 Zn\n0.855664 0.144336 0.751027 Mo\n0.144336 0.288672 0.251027 Mo\n0.711328 0.855664 0.251027 Mo\n0.144336 0.855664 0.251027 Mo\n0.288672 0.144336 0.751027 Mo\n0.855664 0.711328 0.751027 Mo\n0.489450 0.978900 0.366215 O\n0.666667 0.333333 0.647540 O\n0.333333 0.666667 0.147540 O\n0.000000 0.000000 0.891510 O\n0.000000 0.000000 0.391510 O\n0.510549 0.021099 0.866215 O\n0.021099 0.510549 0.366215 O\n0.165017 0.330034 0.628602 O\n0.165017 0.834983 0.628602 O\n0.330034 0.165017 0.128602 O\n0.834983 0.669966 0.128602 O\n0.489450 0.510549 0.366215 O\n0.669966 0.834983 0.628602 O\n0.834983 0.165017 0.128602 O\n0.510549 0.489450 0.866215 O\n0.978900 0.489450 0.866215 O\n",
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{
"id": "jvasp-43498",
"created_at": "2022-09-04T14:36:35.440981Z",
"updated_at": "2022-09-04T14:36:35.440997Z",
"structure_string": "Ba2 Ti6 N2 O11\n1.0\n3.904715 -0.001929 0.000543\n-1.948722 7.728349 -0.006629\n-0.001671 -1.266554 9.168893\nBa Ti N O\n2 6 2 11\ndirect\n0.547833 0.095852 0.773563 Ba\n0.448262 0.896776 0.235643 Ba\n0.113998 0.228240 0.094341 Ti\n0.170665 0.341574 0.439498 Ti\n0.239079 0.478315 0.771718 Ti\n0.750742 0.501735 0.220818 Ti\n0.831653 0.663516 0.559299 Ti\n0.883356 0.766877 0.911590 Ti\n0.639422 0.279093 0.111313 N\n0.997546 0.995281 0.000140 N\n0.831572 0.663343 0.088535 O\n0.358155 0.716471 0.882839 O\n0.298013 0.596233 0.571152 O\n0.243970 0.488179 0.251365 O\n0.074096 0.148447 0.302929 O\n0.702441 0.405124 0.428854 O\n0.167274 0.334749 0.908534 O\n0.130871 0.261920 0.617003 O\n0.875276 0.750806 0.390575 O\n0.755765 0.511710 0.753634 O\n0.925200 0.850586 0.704285 O\n",
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"elements": [
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"formula_full": "Ba2 Ti6 N2 O11",
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{
"id": "jvasp-65455",
"created_at": "2022-09-04T14:36:12.509057Z",
"updated_at": "2022-09-04T14:36:12.509066Z",
"structure_string": "Ba1 Fe1 Os1\n1.0\n0.000000 3.370730 3.370730\n3.370730 0.000000 3.370730\n3.370730 3.370730 0.000000\nBa Fe Os\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Os\n",
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{
"id": "jvasp-30344",
"created_at": "2022-09-04T14:37:06.941113Z",
"updated_at": "2022-09-04T14:37:06.941123Z",
"structure_string": "Mn5 Sn1 O12\n1.0\n2.536610 4.406203 0.481266\n-2.564604 4.409669 0.240633\n0.427070 0.741840 8.992596\nMn Sn O\n5 1 12\ndirect\n0.166928 0.666143 0.500000 Mn\n0.666667 0.666668 0.000000 Mn\n0.333334 0.333331 0.000000 Mn\n0.833073 0.333856 0.500001 Mn\n0.500000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Sn\n0.037299 0.356889 0.887914 O\n0.319592 -0.000000 0.112088 O\n0.605810 0.356889 0.112087 O\n0.798867 0.666859 0.603543 O\n0.131535 -0.000000 0.604977 O\n0.201133 0.333140 0.396457 O\n0.534274 0.666859 0.396457 O\n0.680407 -0.000000 0.887913 O\n0.394190 0.643110 0.887914 O\n0.962702 0.643110 0.112087 O\n0.465727 0.333140 0.603543 O\n0.868464 -0.000000 0.395024 O\n",
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"density_atomic": 0.08982773613606423,
"volume": 200.38354270372534,
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"formula_full": "Mn5 Sn1 O12",
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"spacegroup": 12
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{
"id": "jvasp-68215",
"created_at": "2022-09-04T14:36:06.681812Z",
"updated_at": "2022-09-04T14:36:06.681842Z",
"structure_string": "Be1 Ru2 Rh1\n1.0\n-1.830753 1.830753 3.838851\n1.830753 -1.830753 3.838851\n1.830753 1.830753 -3.838851\nBe Ru Rh\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Ru\n0.250000 0.749999 0.499999 Ru\n0.749999 0.250000 0.499999 Rh\n",
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{
"id": "jvasp-74781",
"created_at": "2022-09-04T14:36:18.885244Z",
"updated_at": "2022-09-04T14:36:18.885279Z",
"structure_string": "Mn1 Be2 Os1\n1.0\n-1.956887 1.956887 2.767755\n1.956887 -1.956887 2.767755\n1.956887 1.956887 -2.767755\nMn Be Os\n1 2 1\ndirect\n0.500001 0.500001 0.000000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Os\n",
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"structure_string": "Nd1 Si2 Ru2\n1.0\n3.934383 -0.000000 -1.552156\n-0.612342 3.886439 -1.552156\n-0.005741 -0.006717 5.747934\nNd Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.635285 0.635285 0.270570 Si\n0.364715 0.364714 0.729428 Si\n0.750000 0.250000 0.499999 Ru\n0.250000 0.750000 0.499999 Ru\n",
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{
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"created_at": "2022-09-04T14:37:46.299271Z",
"updated_at": "2022-09-04T14:37:46.299283Z",
"structure_string": "Li1 V1 Ir2\n1.0\n0.000001 2.962010 2.962010\n2.962009 0.000001 2.962010\n2.962009 2.962010 0.000001\nLi V Ir\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.749999 0.749999 V\n0.000000 0.000000 0.000000 Ir\n0.499999 0.499999 0.499999 Ir\n",
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{
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"updated_at": "2022-09-04T14:35:49.854547Z",
"structure_string": "Be1 Nb1 Ru1\n1.0\n-1.520443 1.520443 4.405506\n1.520443 -1.520443 4.405506\n1.520443 1.520443 -4.405506\nBe Nb Ru\n1 1 1\ndirect\n0.024291 0.024291 0.000000 Be\n0.337009 0.337009 0.000000 Nb\n0.638702 0.638702 0.000000 Ru\n",
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{
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"structure_string": "Ti1 Be1 Os1\n1.0\n1.474866 -2.554543 0.000000\n1.474866 2.554543 -0.000000\n0.000000 -0.000000 5.392646\nTi Be Os\n1 1 1\ndirect\n0.666668 0.333335 0.323934 Ti\n-0.000000 0.000000 0.983637 Be\n0.333335 0.666668 0.692431 Os\n",
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{
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"structure_string": "Ti1 Al1 Ru2\n1.0\n-0.000000 3.045010 3.045010\n3.045010 -0.000000 3.045010\n3.045010 3.045010 0.000000\nTi Al Ru\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500001 Ru\n",
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}