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{
"id": "mp-1095320",
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"structure_string": "Lu3 B3 Pt6\n1.0\n2.646287 -4.583503 0.000000\n2.646287 4.583503 0.000000\n0.000000 0.000000 7.931405\nLu B Pt\n3 3 6\ndirect\n0.500000 0.500000 0.833333 Lu\n0.500000 0.000000 0.500000 Lu\n0.000000 0.500000 0.166667 Lu\n0.500000 0.500000 0.333333 B\n0.500000 0.000000 0.000000 B\n0.000000 0.500000 0.666667 B\n0.151687 0.848313 0.833333 Pt\n0.151687 0.303374 0.500000 Pt\n0.696626 0.848313 0.166667 Pt\n0.848313 0.151687 0.833333 Pt\n0.848313 0.696626 0.500000 Pt\n0.303374 0.151687 0.166667 Pt\n",
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{
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"structure_string": "Na4 Nd4 P8 H8 C4 O28\n1.0\n15.299755 0.000000 0.000000\n0.000000 6.751007 0.000000\n0.000000 0.178251 6.829484\nNa Nd P H C O\n4 4 8 8 4 28\ndirect\n0.029155 0.138808 0.800878 Na\n0.529155 0.361192 0.199122 Na\n0.970845 0.861192 0.199122 Na\n0.470845 0.638808 0.800878 Na\n0.101873 0.399350 0.325258 Nd\n0.601873 0.100650 0.674742 Nd\n0.898127 0.600650 0.674742 Nd\n0.398127 0.899350 0.325258 Nd\n0.904529 0.366768 0.178382 P\n0.404529 0.133232 0.821618 P\n0.095471 0.633232 0.821618 P\n0.595471 0.866768 0.178382 P\n0.158338 0.894608 0.470416 P\n0.658338 0.605392 0.529584 P\n0.841662 0.105392 0.529584 P\n0.341662 0.394608 0.470416 P\n0.760784 0.323722 0.313130 H\n0.260784 0.176278 0.686870 H\n0.239216 0.676278 0.686870 H\n0.739216 0.823722 0.313130 H\n0.795776 0.111685 0.186428 H\n0.295776 0.388315 0.813572 H\n0.204224 0.888315 0.813572 H\n0.704224 0.611685 0.186428 H\n0.816556 0.223947 0.291081 C\n0.316556 0.276053 0.708919 C\n0.183444 0.776053 0.708919 C\n0.683444 0.723947 0.291081 C\n0.099109 0.756232 0.355999 O\n0.599109 0.743768 0.644001 O\n0.900891 0.243768 0.644001 O\n0.400891 0.256232 0.355999 O\n0.981376 0.223657 0.134003 O\n0.481376 0.276343 0.865997 O\n0.018624 0.776343 0.865997 O\n0.518624 0.723657 0.134003 O\n0.111991 0.092298 0.510610 O\n0.611991 0.407702 0.489390 O\n0.888009 0.907702 0.489390 O\n0.388009 0.592298 0.510610 O\n0.866921 0.472209 0.995216 O\n0.366921 0.027791 0.004784 O\n0.133079 0.527791 0.004784 O\n0.633079 0.972209 0.995216 O\n0.939660 0.521283 0.324042 O\n0.439660 0.978717 0.675958 O\n0.060340 0.478717 0.675958 O\n0.560340 0.021283 0.324042 O\n0.247737 0.929328 0.371624 O\n0.747737 0.570672 0.628376 O\n0.752263 0.070672 0.628376 O\n0.252263 0.429328 0.371624 O\n0.161152 0.155515 0.081056 O\n0.661152 0.344485 0.918944 O\n0.838848 0.844485 0.918944 O\n0.338848 0.655515 0.081056 O\n",
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"spacegroup": 14
},
{
"id": "mp-18352",
"created_at": "2022-09-04T14:47:01.958375Z",
"structure_string": "Hf4 Te12 O32\n1.0\n-5.760181 5.760181 5.760181\n5.760181 -5.760181 5.760181\n5.760181 5.760181 -5.760181\nHf Te O\n4 12 32\ndirect\n0.000000 0.500000 0.000000 Hf\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.500000 Hf\n0.500000 0.000000 0.000000 Hf\n0.949118 0.750000 0.699118 Te\n0.250000 0.800882 0.550882 Te\n0.699118 0.949118 0.750000 Te\n0.750000 0.699118 0.949118 Te\n0.800882 0.550882 0.250000 Te\n0.550882 0.250000 0.800882 Te\n0.050882 0.250000 0.300882 Te\n0.750000 0.199118 0.449118 Te\n0.300882 0.050882 0.250000 Te\n0.250000 0.300882 0.050882 Te\n0.199118 0.449118 0.750000 Te\n0.449118 0.750000 0.199118 Te\n0.666250 0.500000 0.000000 O\n0.833750 0.833750 0.833750 O\n0.000000 0.666250 0.500000 O\n0.500000 0.000000 0.666250 O\n0.333750 0.500000 0.000000 O\n0.166250 0.166250 0.166250 O\n0.000000 0.333750 0.500000 O\n0.500000 0.000000 0.333750 O\n0.158551 0.234598 0.703081 O\n0.031518 0.455470 0.796919 O\n0.341449 0.044530 0.076047 O\n0.796919 0.031518 0.455470 O\n0.234598 0.703081 0.158551 O\n0.265402 0.423953 0.468482 O\n0.423953 0.468482 0.265402 O\n0.455470 0.796919 0.031518 O\n0.531518 0.734598 0.576047 O\n0.296919 0.841449 0.765402 O\n0.955470 0.923953 0.658551 O\n0.923953 0.658551 0.955470 O\n0.544530 0.203081 0.968482 O\n0.576047 0.531518 0.734598 O\n0.734598 0.576047 0.531518 O\n0.765402 0.296919 0.841449 O\n0.203081 0.968482 0.544530 O\n0.658551 0.955470 0.923953 O\n0.968482 0.544530 0.203081 O\n0.841449 0.765402 0.296919 O\n0.468482 0.265402 0.423953 O\n0.703081 0.158551 0.234598 O\n0.044530 0.076047 0.341449 O\n0.076047 0.341449 0.044530 O\n",
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"density": 5.988797937024785,
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"volume": 764.4839680116642,
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"formula_full": "Hf4 Te12 O32",
"formula_reduced": "HfTe3O8",
"formula_anonymous": "AB3C8",
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"spacegroup": 206
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{
"id": "mp-1078225",
"created_at": "2022-09-04T14:47:08.370841Z",
"structure_string": "Ba2 La2 Si4\n1.0\n2.316568 -7.479822 0.000000\n2.316568 7.479822 0.000000\n0.000000 0.000000 6.780412\nBa La Si\n2 2 4\ndirect\n0.277293 0.722707 0.750000 Ba\n0.722707 0.277293 0.250000 Ba\n0.548613 0.451387 0.750000 La\n0.451387 0.548613 0.250000 La\n0.924017 0.075983 0.932424 Si\n0.075983 0.924017 0.067576 Si\n0.924017 0.075983 0.567576 Si\n0.075983 0.924017 0.432424 Si\n",
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"formula_full": "Ba2 La2 Si4",
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{
"id": "mp-733581",
"created_at": "2022-09-04T14:47:10.132131Z",
"structure_string": "Pr8 H8 Se16 O48\n1.0\n7.144649 0.000000 0.000000\n0.000000 8.471129 0.000000\n0.000000 0.000000 19.511567\nPr H Se O\n8 8 16 48\ndirect\n0.916642 0.656739 0.000000 Pr\n0.083358 0.343261 0.500000 Pr\n0.916642 0.843261 0.500000 Pr\n0.083358 0.156739 0.000000 Pr\n0.415242 0.558300 0.086598 Pr\n0.584758 0.441700 0.586598 Pr\n0.415242 0.941700 0.586598 Pr\n0.584758 0.058300 0.086598 Pr\n0.690217 0.346713 0.299464 H\n0.309783 0.653287 0.799464 H\n0.690217 0.153287 0.799464 H\n0.309783 0.846713 0.299464 H\n0.214836 0.896861 0.783719 H\n0.785164 0.103139 0.283719 H\n0.214836 0.603139 0.283719 H\n0.785164 0.396861 0.783719 H\n0.928638 0.408433 0.137897 Se\n0.071362 0.591567 0.637897 Se\n0.928638 0.091567 0.637897 Se\n0.071362 0.908433 0.137897 Se\n0.409003 0.337917 0.236808 Se\n0.590997 0.662083 0.736808 Se\n0.409003 0.162083 0.736808 Se\n0.590997 0.837917 0.236808 Se\n0.941332 0.872630 0.852739 Se\n0.058668 0.127370 0.352739 Se\n0.941332 0.627370 0.352739 Se\n0.058668 0.372630 0.852739 Se\n0.434150 0.806440 0.949255 Se\n0.565850 0.193560 0.449255 Se\n0.434150 0.693560 0.449255 Se\n0.565850 0.306440 0.949255 Se\n0.761259 0.535892 0.105096 O\n0.238741 0.464108 0.605096 O\n0.761259 0.964108 0.605096 O\n0.238741 0.035892 0.105096 O\n0.094665 0.429587 0.071872 O\n0.905335 0.570413 0.571872 O\n0.094665 0.070413 0.571872 O\n0.905335 0.929587 0.071872 O\n0.865123 0.221469 0.114583 O\n0.134877 0.778531 0.614583 O\n0.865123 0.278531 0.614583 O\n0.134877 0.721469 0.114583 O\n0.487773 0.301514 0.155698 O\n0.512227 0.698486 0.655698 O\n0.487773 0.198486 0.655698 O\n0.512227 0.801514 0.155698 O\n0.299050 0.510745 0.218868 O\n0.700950 0.489255 0.718868 O\n0.299050 0.989255 0.718868 O\n0.700950 0.010745 0.218868 O\n0.607776 0.430446 0.279579 O\n0.392224 0.569554 0.779579 O\n0.607776 0.069554 0.779579 O\n0.392224 0.930446 0.279579 O\n0.175445 0.818776 0.821526 O\n0.824555 0.181224 0.321526 O\n0.175445 0.681224 0.321526 O\n0.824555 0.318776 0.821526 O\n0.980726 0.917053 0.936898 O\n0.019274 0.082947 0.436898 O\n0.980726 0.582947 0.436898 O\n0.019274 0.417053 0.936898 O\n0.853856 0.690086 0.865944 O\n0.146144 0.309914 0.365944 O\n0.853856 0.809914 0.365944 O\n0.146144 0.190086 0.865944 O\n0.366493 0.993276 0.971036 O\n0.633507 0.006724 0.471036 O\n0.366493 0.506724 0.471036 O\n0.633507 0.493276 0.971036 O\n0.264742 0.679040 0.980971 O\n0.735258 0.320960 0.480971 O\n0.264742 0.820960 0.480971 O\n0.735258 0.179040 0.980971 O\n0.594540 0.785685 0.017790 O\n0.405460 0.214315 0.517790 O\n0.594540 0.714315 0.517790 O\n0.405460 0.285685 0.017790 O\n",
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{
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"structure_string": "Na1 Li5 Sn4\n1.0\n10.658982 -2.483308 0.000000\n10.658982 2.483308 0.000000\n10.080426 0.000000 4.262127\nNa Li Sn\n1 5 4\ndirect\n0.483927 0.483927 0.483927 Na\n0.861368 0.861368 0.861368 Li\n0.947349 0.947349 0.947349 Li\n0.584033 0.584033 0.584033 Li\n0.136812 0.136812 0.136812 Li\n0.053862 0.053862 0.053862 Li\n0.771302 0.771301 0.771302 Sn\n0.681701 0.681701 0.681701 Sn\n0.317453 0.317453 0.317453 Sn\n0.224993 0.224993 0.224993 Sn\n",
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{
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"structure_string": "Sm4 H8 Cl4 O8\n1.0\n3.786426 0.000000 0.000000\n0.000000 6.330686 0.000000\n0.000000 0.000000 12.810336\nSm H Cl O\n4 8 4 8\ndirect\n0.750000 0.248452 0.061270 Sm\n0.250000 0.748452 0.438730 Sm\n0.750000 0.251548 0.561270 Sm\n0.250000 0.751548 0.938730 Sm\n0.750000 0.693306 0.112261 H\n0.250000 0.941250 0.150337 H\n0.750000 0.441250 0.349663 H\n0.250000 0.193306 0.387739 H\n0.750000 0.806694 0.612261 H\n0.250000 0.558750 0.650337 H\n0.750000 0.058750 0.849663 H\n0.250000 0.306694 0.887739 H\n0.250000 0.410966 0.219104 Cl\n0.750000 0.910966 0.280896 Cl\n0.250000 0.089034 0.719104 Cl\n0.750000 0.589034 0.780896 Cl\n0.750000 0.631588 0.042545 O\n0.250000 0.001845 0.080100 O\n0.750000 0.501845 0.419900 O\n0.250000 0.131588 0.457455 O\n0.750000 0.868412 0.542545 O\n0.250000 0.498155 0.580100 O\n0.750000 0.998155 0.919900 O\n0.250000 0.368412 0.957455 O\n",
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{
"id": "mp-1189436",
"created_at": "2022-09-04T14:47:07.810294Z",
"structure_string": "Pr4 Zn10 Sn2\n1.0\n2.259468 -8.325694 0.000000\n2.259468 8.325694 0.000000\n0.000000 0.000000 9.106060\nPr Zn Sn\n4 10 2\ndirect\n0.205575 0.794425 0.250000 Pr\n0.794425 0.205575 0.750000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.814406 0.185594 0.391990 Zn\n0.185594 0.814406 0.608010 Zn\n0.814406 0.185594 0.108010 Zn\n0.185594 0.814406 0.891990 Zn\n0.656390 0.343610 0.484159 Zn\n0.343610 0.656390 0.515841 Zn\n0.656390 0.343610 0.015841 Zn\n0.343610 0.656390 0.984159 Zn\n0.395553 0.604447 0.250000 Zn\n0.604447 0.395553 0.750000 Zn\n0.554933 0.445067 0.250000 Sn\n0.445067 0.554933 0.750000 Sn\n",
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