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{
"id": "mp-1104274",
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"structure_string": "Sm4 Fe3 B6\n1.0\n-2.678741 -4.639716 0.000000\n-5.357483 0.000000 0.000000\n-2.678741 -1.546572 -7.447945\nSm Fe B\n4 3 6\ndirect\n0.743230 0.743230 0.770311 Sm\n0.256770 0.256770 0.229689 Sm\n0.588811 0.588811 0.233567 Sm\n0.411189 0.411189 0.766433 Sm\n0.000000 0.000000 0.000000 Fe\n0.885000 0.885000 0.345001 Fe\n0.115000 0.115000 0.654999 Fe\n0.500000 0.167069 0.500000 B\n0.832931 0.500000 0.500000 B\n0.167069 0.832932 0.500000 B\n0.167069 0.500000 0.500000 B\n0.832931 0.167069 0.500000 B\n0.500000 0.832931 0.500000 B\n",
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{
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"structure_string": "Ga8 As8 O48\n1.0\n8.795811 0.000000 0.000000\n0.000000 10.043511 0.000000\n0.000000 0.000000 10.151254\nGa As O\n8 8 48\ndirect\n0.357168 0.183578 0.127752 Ga\n0.642832 0.816422 0.872248 Ga\n0.142832 0.816422 0.627752 Ga\n0.642832 0.683578 0.372248 Ga\n0.857168 0.183578 0.372248 Ga\n0.357168 0.316422 0.627752 Ga\n0.857168 0.316422 0.872248 Ga\n0.142832 0.683578 0.127752 Ga\n0.040390 0.365937 0.159180 As\n0.959610 0.634063 0.840820 As\n0.459610 0.634063 0.659180 As\n0.959610 0.865937 0.340820 As\n0.540390 0.365937 0.340820 As\n0.040390 0.134063 0.659180 As\n0.540390 0.134063 0.840820 As\n0.459610 0.865937 0.159180 As\n0.493201 0.033763 0.167013 O\n0.506799 0.966237 0.832987 O\n0.006799 0.966237 0.667013 O\n0.506799 0.533763 0.332987 O\n0.993201 0.033763 0.332987 O\n0.493201 0.466237 0.667013 O\n0.993201 0.466237 0.832987 O\n0.006799 0.533763 0.167013 O\n0.223729 0.342992 0.102657 O\n0.776271 0.657008 0.897343 O\n0.276271 0.657008 0.602657 O\n0.776271 0.842992 0.397343 O\n0.723729 0.342992 0.397343 O\n0.223729 0.157008 0.602657 O\n0.723729 0.157008 0.897343 O\n0.276271 0.842992 0.102657 O\n0.402963 0.293727 0.440142 O\n0.597037 0.706273 0.559858 O\n0.097037 0.706273 0.940142 O\n0.597037 0.793727 0.059858 O\n0.902963 0.293727 0.059858 O\n0.402963 0.206273 0.940142 O\n0.902963 0.206273 0.559858 O\n0.097037 0.793727 0.440142 O\n0.192101 0.051947 0.057640 O\n0.807899 0.948053 0.942360 O\n0.307899 0.948053 0.557640 O\n0.807899 0.551947 0.442360 O\n0.692101 0.051947 0.442360 O\n0.192101 0.448053 0.557640 O\n0.692101 0.448053 0.942360 O\n0.307899 0.551947 0.057640 O\n0.259434 0.147332 0.305774 O\n0.740566 0.852669 0.694226 O\n0.240566 0.852669 0.805774 O\n0.740566 0.647331 0.194226 O\n0.759434 0.147332 0.194226 O\n0.259434 0.352668 0.805774 O\n0.759434 0.352668 0.694226 O\n0.240566 0.647331 0.305774 O\n0.027095 0.292586 0.311013 O\n0.972905 0.707414 0.688987 O\n0.472905 0.707414 0.811013 O\n0.972905 0.792586 0.188987 O\n0.527095 0.292586 0.188987 O\n0.027095 0.207414 0.811013 O\n0.527095 0.207414 0.688987 O\n0.472905 0.792586 0.311013 O\n",
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"spacegroup": 61
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{
"id": "mp-1219238",
"created_at": "2022-09-04T14:39:47.976271Z",
"structure_string": "Sm2 Cr1 Fe16 C2\n1.0\n4.312515 4.853359 0.000000\n-4.312515 4.853359 0.000000\n0.000000 1.024054 6.429461\nSm Cr Fe C\n2 1 16 2\ndirect\n0.350396 0.350396 0.335432 Sm\n0.644659 0.644659 0.659975 Sm\n0.906581 0.906581 0.907927 Cr\n0.659494 0.659494 0.145365 Fe\n0.656319 0.143570 0.659970 Fe\n0.143570 0.656319 0.659970 Fe\n0.341219 0.341219 0.857438 Fe\n0.343445 0.856279 0.338272 Fe\n0.856279 0.343445 0.338272 Fe\n0.286622 0.001946 0.715564 Fe\n0.999284 0.717318 0.287936 Fe\n0.716796 0.284265 0.998886 Fe\n0.001946 0.286622 0.715564 Fe\n0.284265 0.716796 0.998886 Fe\n0.717318 0.999284 0.287936 Fe\n0.999034 0.501499 0.999806 Fe\n0.501499 0.999034 0.999806 Fe\n0.999907 0.999907 0.501991 Fe\n0.092166 0.092166 0.091363 Fe\n0.499377 0.999824 0.499819 C\n0.999824 0.499377 0.499819 C\n",
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"formula_full": "Sm2 Cr1 Fe16 C2",
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{
"id": "mp-3193",
"created_at": "2022-09-04T14:39:11.432034Z",
"structure_string": "Na8 Si8 O20\n1.0\n4.920576 0.000000 0.000000\n0.000000 8.221253 0.000000\n0.000000 3.065294 12.082815\nNa Si O\n8 8 20\ndirect\n0.753863 0.620664 0.442541 Na\n0.253863 0.379336 0.057459 Na\n0.246137 0.379336 0.557459 Na\n0.746137 0.620664 0.942541 Na\n0.226410 0.864661 0.471701 Na\n0.726410 0.135339 0.028299 Na\n0.773590 0.135339 0.528299 Na\n0.273590 0.864661 0.971701 Na\n0.188427 0.972460 0.182558 Si\n0.688427 0.027540 0.317442 Si\n0.811573 0.027540 0.817442 Si\n0.311573 0.972460 0.682558 Si\n0.291868 0.596769 0.277213 Si\n0.791868 0.403231 0.222787 Si\n0.708132 0.403231 0.722787 Si\n0.208132 0.596769 0.777213 Si\n0.251519 0.093337 0.563972 O\n0.751519 0.906663 0.936028 O\n0.748481 0.906663 0.436028 O\n0.248481 0.093337 0.063972 O\n0.269928 0.608566 0.901206 O\n0.769928 0.391434 0.598794 O\n0.730072 0.391434 0.098794 O\n0.230072 0.608566 0.401206 O\n0.253192 0.774360 0.680909 O\n0.753192 0.225640 0.819091 O\n0.746808 0.225640 0.319091 O\n0.246808 0.774360 0.180909 O\n0.884285 0.544817 0.767797 O\n0.384285 0.455183 0.732203 O\n0.115715 0.455183 0.232203 O\n0.615715 0.544817 0.267797 O\n0.863296 0.985462 0.214456 O\n0.363296 0.014538 0.285544 O\n0.136704 0.014538 0.785544 O\n0.636704 0.985462 0.714456 O\n",
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"formula_full": "Na8 Si8 O20",
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{
"id": "mp-9268",
"created_at": "2022-09-04T14:39:37.156427Z",
"structure_string": "K6 Se6\n1.0\n4.517476 -7.824498 0.000000\n4.517476 7.824498 0.000000\n0.000000 0.000000 6.098357\nK Se\n6 6\ndirect\n0.649940 0.000000 0.000000 K\n0.350060 0.350060 0.000000 K\n0.000000 0.649940 0.000000 K\n0.316367 0.000000 0.500000 K\n0.683633 0.683633 0.500000 K\n0.000000 0.316367 0.500000 K\n0.000000 0.000000 0.199713 Se\n0.000000 0.000000 0.800287 Se\n0.333333 0.666667 0.299240 Se\n0.333333 0.666667 0.700760 Se\n0.666667 0.333333 0.700760 Se\n0.666667 0.333333 0.299240 Se\n",
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{
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"structure_string": "K4 Sm2 P4 S14\n1.0\n3.391101 11.469174 0.000000\n-3.391101 11.469174 0.000000\n0.000000 1.110900 8.982996\nK Sm P S\n4 2 4 14\ndirect\n0.571602 0.313432 0.697717 K\n0.817673 0.554045 0.879327 K\n0.686568 0.428398 0.302283 K\n0.445955 0.182327 0.120673 K\n0.950206 0.729110 0.533391 Sm\n0.270890 0.049794 0.466609 Sm\n0.422397 0.122188 0.707253 P\n0.877812 0.577603 0.292747 P\n0.114546 0.855236 0.386994 P\n0.144764 0.885454 0.613006 P\n0.190628 0.927585 0.243302 S\n0.494270 0.077100 0.481033 S\n0.922900 0.505730 0.518967 S\n0.074688 0.306190 0.195190 S\n0.072415 0.809372 0.756698 S\n0.587710 0.783030 0.230671 S\n0.947307 0.184174 0.616364 S\n0.216970 0.412290 0.769329 S\n0.317632 0.050415 0.769403 S\n0.815826 0.052693 0.383636 S\n0.301455 0.561340 0.388261 S\n0.949585 0.682368 0.230597 S\n0.438660 0.698545 0.611739 S\n0.693810 0.925312 0.804810 S\n",
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{
"id": "mp-1101952",
"created_at": "2022-09-04T14:39:29.019052Z",
"structure_string": "Hf4 Si4 Ni4\n1.0\n3.790045 0.000000 0.000000\n0.000000 6.427177 0.000000\n0.000000 0.000000 7.223274\nHf Si Ni\n4 4 4\ndirect\n0.250000 0.016888 0.314922 Hf\n0.250000 0.516888 0.185078 Hf\n0.750000 0.983112 0.685078 Hf\n0.750000 0.483112 0.814922 Hf\n0.250000 0.272150 0.614878 Si\n0.250000 0.772150 0.885122 Si\n0.750000 0.727850 0.385122 Si\n0.750000 0.227850 0.114878 Si\n0.250000 0.140029 0.938567 Ni\n0.250000 0.640029 0.561433 Ni\n0.750000 0.859971 0.061433 Ni\n0.750000 0.359971 0.438567 Ni\n",
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"formula_full": "Hf4 Si4 Ni4",
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{
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"created_at": "2022-09-04T14:39:32.602588Z",
"structure_string": "Zn3 Fe4 Bi6 O24\n1.0\n6.653944 0.000000 0.000000\n-2.723055 7.501552 0.000000\n-1.556815 -3.532062 10.638379\nZn Fe Bi O\n3 4 6 24\ndirect\n0.500000 0.000000 0.500000 Zn\n0.475310 0.513840 0.794834 Zn\n0.524690 0.486160 0.205166 Zn\n0.232527 0.634084 0.591206 Fe\n0.767473 0.365916 0.408794 Fe\n0.973186 0.782042 0.981863 Fe\n0.026814 0.217958 0.018137 Fe\n0.864167 0.332012 0.733185 Bi\n0.135833 0.667988 0.266815 Bi\n0.866334 0.808533 0.687157 Bi\n0.394254 0.093516 0.895375 Bi\n0.133666 0.191467 0.312843 Bi\n0.605746 0.906484 0.104625 Bi\n0.788968 0.027843 0.634781 O\n0.211032 0.972157 0.365219 O\n0.540886 0.284539 0.795828 O\n0.459114 0.715461 0.204172 O\n0.659626 0.266483 0.547915 O\n0.340374 0.733517 0.452085 O\n0.921802 0.623894 0.539257 O\n0.078198 0.376106 0.460743 O\n0.358238 0.289289 0.041337 O\n0.641762 0.710711 0.958663 O\n0.821327 0.513937 0.287916 O\n0.178673 0.486063 0.712084 O\n0.527588 0.661019 0.665483 O\n0.982967 0.013493 0.118188 O\n0.017033 0.986507 0.881812 O\n0.760081 0.109811 0.289762 O\n0.239919 0.890189 0.710238 O\n0.965787 0.644973 0.094954 O\n0.034213 0.355027 0.905046 O\n0.859919 0.612480 0.800562 O\n0.140081 0.387520 0.199438 O\n0.699785 0.116318 0.000713 O\n0.300215 0.883682 0.999287 O\n0.472412 0.338981 0.334517 O\n",
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{
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"created_at": "2022-09-04T14:39:13.578770Z",
"structure_string": "Sn2 Ge2 O6\n1.0\n6.554271 -2.669022 0.000000\n6.554271 2.669022 0.000000\n5.467396 0.000000 4.493298\nSn Ge O\n2 2 6\ndirect\n0.166720 0.166720 0.166720 Sn\n0.833280 0.833280 0.833280 Sn\n0.391922 0.391922 0.391922 Ge\n0.608078 0.608078 0.608078 Ge\n0.104806 0.440028 0.776698 O\n0.440028 0.776698 0.104806 O\n0.223302 0.895194 0.559972 O\n0.776698 0.104806 0.440028 O\n0.559972 0.223302 0.895194 O\n0.895194 0.559972 0.223302 O\n",
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{
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"structure_string": "Ba2 Ca3 Tl2 Cu4 O12\n1.0\n-1.940611 1.940611 21.625187\n1.940611 -1.940611 21.625187\n1.940611 1.940611 -21.625187\nBa Ca Tl Cu O\n2 3 2 4 12\ndirect\n0.156988 0.156988 0.000000 Ba\n0.843012 0.843012 0.000000 Ba\n0.075032 0.075032 0.000000 Ca\n0.924968 0.924968 0.000000 Ca\n0.000000 0.000000 0.000000 Ca\n0.723493 0.723493 0.000000 Tl\n0.276507 0.276507 0.000000 Tl\n0.537541 0.537541 0.000000 Cu\n0.389915 0.389915 0.000000 Cu\n0.610085 0.610085 0.000000 Cu\n0.462459 0.462459 0.000000 Cu\n0.889031 0.389031 0.500000 O\n0.037169 0.537169 0.500000 O\n0.228285 0.228285 0.000000 O\n0.462831 0.962831 0.500000 O\n0.771715 0.771715 0.000000 O\n0.610969 0.110969 0.500000 O\n0.110969 0.610969 0.500000 O\n0.323497 0.323497 0.000000 O\n0.389031 0.889031 0.500000 O\n0.537169 0.037169 0.500000 O\n0.962831 0.462831 0.500000 O\n0.676503 0.676503 0.000000 O\n",
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]
}