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{
"id": "mp-3387",
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"structure_string": "Ca2 Si2 O6\n1.0\n-2.539292 2.539292 3.642671\n2.539292 -2.539292 3.642671\n2.539292 2.539292 -3.642671\nCa Si O\n2 2 6\ndirect\n0.250000 0.750000 0.500000 Ca\n0.750000 0.250000 0.500000 Ca\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.750000 0.750000 0.000000 O\n0.777960 0.277960 0.055919 O\n0.222040 0.722040 0.944081 O\n0.722040 0.777960 0.500000 O\n0.277960 0.222040 0.500000 O\n0.250000 0.250000 0.000000 O\n",
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{
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"formula_full": "Nb2 Al3 Ga3",
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},
{
"id": "mp-1096848",
"created_at": "2022-09-04T14:43:08.342870Z",
"structure_string": "Ba2 Y1 Cu3 S7\n1.0\n4.444670 0.000000 0.000000\n0.000000 4.721276 0.000000\n0.000000 0.000000 13.843908\nBa Y Cu S\n2 1 3 7\ndirect\n0.500000 0.500000 0.812074 Ba\n0.500000 0.500000 0.187926 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.660749 Cu\n0.000000 0.000000 0.339251 Cu\n0.500000 0.000000 0.620905 S\n0.500000 0.000000 0.379095 S\n0.000000 0.000000 0.840268 S\n0.000000 0.000000 0.159732 S\n0.000000 0.500000 0.000000 S\n0.000000 0.500000 0.629170 S\n0.000000 0.500000 0.370830 S\n",
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"elements": [
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"formula_full": "Ba2 Y1 Cu3 S7",
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},
{
"id": "mp-23332",
"created_at": "2022-09-04T14:43:08.346561Z",
"structure_string": "Bi4 P4 O16\n1.0\n6.811490 0.000000 0.000000\n0.000000 6.778599 0.000000\n0.000000 5.315930 7.306068\nBi P O\n4 4 16\ndirect\n0.620443 0.716078 0.744597 Bi\n0.120443 0.283922 0.755403 Bi\n0.379557 0.283922 0.255403 Bi\n0.879557 0.716078 0.244597 Bi\n0.643195 0.100485 0.776468 P\n0.143195 0.899515 0.723532 P\n0.356805 0.899515 0.223532 P\n0.856805 0.100485 0.276468 P\n0.730298 0.299850 0.568716 O\n0.230298 0.700150 0.931284 O\n0.269702 0.700150 0.431284 O\n0.769702 0.299850 0.068716 O\n0.682855 0.514095 0.060809 O\n0.182855 0.485905 0.439191 O\n0.317145 0.485905 0.939191 O\n0.817145 0.514095 0.560809 O\n0.031792 0.219868 0.302744 O\n0.531792 0.780132 0.197256 O\n0.968208 0.780132 0.697256 O\n0.468208 0.219868 0.802744 O\n0.678309 0.054602 0.402802 O\n0.178309 0.945398 0.097198 O\n0.321691 0.945398 0.597198 O\n0.821691 0.054602 0.902802 O\n",
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{
"id": "mp-733539",
"created_at": "2022-09-04T14:43:08.348906Z",
"structure_string": "Na8 Zr4 Si24 O72\n1.0\n7.246536 0.000000 0.000000\n0.000000 14.635715 0.000000\n0.000000 0.000000 14.905719\nNa Zr Si O\n8 4 24 72\ndirect\n0.466194 0.750000 0.765396 Na\n0.533806 0.250000 0.234604 Na\n0.466194 0.250000 0.734604 Na\n0.533806 0.750000 0.265396 Na\n0.991613 0.500000 0.750000 Na\n0.008387 0.000000 0.250000 Na\n0.008387 0.500000 0.250000 Na\n0.991613 0.000000 0.750000 Na\n0.493252 0.500000 0.750000 Zr\n0.506748 0.000000 0.250000 Zr\n0.506748 0.500000 0.250000 Zr\n0.493252 0.000000 0.750000 Zr\n0.772216 0.644022 0.612086 Si\n0.227784 0.144022 0.387914 Si\n0.772216 0.355978 0.887914 Si\n0.227784 0.855978 0.112086 Si\n0.227784 0.355978 0.387914 Si\n0.772216 0.855978 0.612086 Si\n0.227784 0.644022 0.112086 Si\n0.772216 0.144022 0.887914 Si\n0.508250 0.640581 0.952991 Si\n0.491750 0.140581 0.047009 Si\n0.508250 0.359419 0.547009 Si\n0.491750 0.859419 0.452991 Si\n0.491750 0.359419 0.047009 Si\n0.508250 0.859419 0.952991 Si\n0.491750 0.640581 0.452991 Si\n0.508250 0.140581 0.547009 Si\n0.215400 0.642406 0.606550 Si\n0.784600 0.142406 0.393450 Si\n0.215400 0.357594 0.893450 Si\n0.784600 0.857594 0.106550 Si\n0.784600 0.357594 0.393450 Si\n0.215400 0.857594 0.606550 Si\n0.784600 0.642406 0.106550 Si\n0.215400 0.142406 0.893450 Si\n0.993199 0.633736 0.595344 O\n0.006801 0.133736 0.404656 O\n0.993199 0.366264 0.904656 O\n0.006801 0.866264 0.095344 O\n0.006801 0.366264 0.404656 O\n0.993199 0.866264 0.595344 O\n0.006801 0.633736 0.095344 O\n0.993199 0.133736 0.904656 O\n0.724131 0.750000 0.644108 O\n0.275869 0.250000 0.355892 O\n0.724131 0.250000 0.855892 O\n0.275869 0.750000 0.144108 O\n0.709920 0.576816 0.691813 O\n0.290080 0.076816 0.308187 O\n0.709920 0.423184 0.808187 O\n0.290080 0.923184 0.191813 O\n0.290080 0.423184 0.308187 O\n0.709920 0.923184 0.691813 O\n0.290080 0.576816 0.191813 O\n0.709920 0.076816 0.808187 O\n0.672954 0.623063 0.516454 O\n0.327046 0.123063 0.483546 O\n0.672954 0.376937 0.983546 O\n0.327046 0.876937 0.016454 O\n0.327046 0.376937 0.483546 O\n0.672954 0.876937 0.516454 O\n0.327046 0.623063 0.016454 O\n0.672954 0.123063 0.983546 O\n0.515036 0.750000 0.926202 O\n0.484964 0.250000 0.073798 O\n0.515036 0.250000 0.573798 O\n0.484964 0.750000 0.426202 O\n0.493238 0.588016 0.859251 O\n0.506762 0.088016 0.140749 O\n0.493238 0.411984 0.640749 O\n0.506762 0.911984 0.359251 O\n0.506762 0.411984 0.140749 O\n0.493238 0.911984 0.859251 O\n0.506762 0.588016 0.359251 O\n0.493238 0.088016 0.640749 O\n0.306643 0.613968 0.510574 O\n0.693357 0.113968 0.489426 O\n0.306643 0.386032 0.989426 O\n0.693357 0.886032 0.010574 O\n0.693357 0.386032 0.489426 O\n0.306643 0.886032 0.510574 O\n0.693357 0.613968 0.010574 O\n0.306643 0.113968 0.989426 O\n0.270809 0.750000 0.630651 O\n0.729191 0.250000 0.369349 O\n0.270809 0.250000 0.869349 O\n0.729191 0.750000 0.130651 O\n0.283267 0.580537 0.689812 O\n0.716733 0.080537 0.310188 O\n0.283267 0.419463 0.810188 O\n0.716733 0.919463 0.189812 O\n0.716733 0.419463 0.310188 O\n0.283267 0.919463 0.689812 O\n0.716733 0.580537 0.189812 O\n0.283267 0.080537 0.810188 O\n0.024496 0.674629 0.869309 O\n0.975504 0.174629 0.130691 O\n0.024496 0.325371 0.630691 O\n0.975504 0.825371 0.369309 O\n0.975504 0.325371 0.130691 O\n0.024496 0.825371 0.869309 O\n0.975504 0.674629 0.369309 O\n0.024496 0.174629 0.630691 O\n0.097969 0.750000 0.842641 O\n0.902031 0.250000 0.157359 O\n0.097969 0.250000 0.657359 O\n0.902031 0.750000 0.342641 O\n",
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"elements": [
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"formula_full": "Na8 Zr4 Si24 O72",
"formula_reduced": "Na2Zr(SiO3)6",
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{
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"structure_string": "K2 C16\n1.0\n0.000000 4.315805 10.720540\n2.488078 0.000000 10.720540\n2.488078 4.315805 0.000000\nK C\n2 16\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 K\n0.541265 0.208836 0.291367 C\n0.958532 0.291367 0.208836 C\n0.291367 0.958532 0.541265 C\n0.208836 0.541265 0.958532 C\n0.708735 0.041164 0.958633 C\n0.291468 0.958633 0.041164 C\n0.958633 0.291468 0.708735 C\n0.041164 0.708735 0.291468 C\n0.040495 0.707765 0.792103 C\n0.459637 0.792103 0.707765 C\n0.792103 0.459637 0.040495 C\n0.707765 0.040495 0.459637 C\n0.209505 0.542235 0.457897 C\n0.790363 0.457897 0.542235 C\n0.457897 0.790363 0.209505 C\n0.542235 0.209505 0.790363 C\n",
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{
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"structure_string": "Ba2 Mg2\n1.0\n4.384824 0.000000 0.000000\n0.000000 6.185009 0.000000\n0.000000 0.000000 6.196984\nBa Mg\n2 2\ndirect\n0.000000 0.243603 0.250000 Ba\n0.000000 0.756397 0.750000 Ba\n0.500000 0.258120 0.750000 Mg\n0.500000 0.741880 0.250000 Mg\n",
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{
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"structure_string": "Ca4 Bi6 O13\n1.0\n3.712792 0.000000 0.000000\n-0.013640 4.611096 0.000000\n-0.350339 -0.641152 23.687347\nCa Bi O\n4 6 13\ndirect\n0.750850 0.096779 0.945530 Ca\n0.689810 0.084207 0.797699 Ca\n0.223847 0.591811 0.873674 Ca\n0.165532 0.574717 0.721682 Ca\n0.558442 0.060885 0.636774 Bi\n0.377767 0.099116 0.407396 Bi\n0.150770 0.009756 0.171545 Bi\n0.138061 0.509990 0.537649 Bi\n0.875262 0.458976 0.302024 Bi\n0.555437 0.406454 0.067300 Bi\n0.121112 0.073720 0.570545 O\n0.843857 0.060288 0.352672 O\n0.624489 0.991949 0.117476 O\n0.171021 0.073104 0.708825 O\n0.668475 0.582099 0.776260 O\n0.199405 0.090958 0.856182 O\n0.228231 0.161707 0.009218 O\n0.727360 0.602597 0.924776 O\n0.599800 0.383587 0.485502 O\n0.327162 0.246718 0.255724 O\n0.461253 0.565304 0.626020 O\n0.325658 0.516121 0.369150 O\n0.144401 0.439156 0.134377 O\n",
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{
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