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{
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{
"id": "mp-12736",
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"structure_string": "Tb1 B2 Rh2 C1\n1.0\n-1.906591 1.906591 5.161965\n1.906591 -1.906591 5.161965\n1.906591 1.906591 -5.161965\nTb B Rh C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.355124 0.355124 0.000000 B\n0.644876 0.644876 0.000000 B\n0.250000 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n0.500000 0.500000 0.000000 C\n",
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{
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"structure_string": "Mn2 V2 H8 O4 F10\n1.0\n5.925589 0.000579 2.989180\n-4.012329 6.375158 0.586583\n-6.020841 -0.003660 4.565733\nMn V H O F\n2 2 8 4 10\ndirect\n0.999995 0.999998 0.000003 Mn\n0.499991 0.499988 0.499996 Mn\n0.000000 0.500001 0.000000 V\n0.000001 0.000001 0.500000 V\n0.475935 0.193207 0.990886 H\n0.791850 0.306792 0.509117 H\n0.524061 0.009118 0.806792 H\n0.208158 0.490887 0.693206 H\n0.524066 0.806795 0.009114 H\n0.208151 0.693209 0.490883 H\n0.475940 0.990883 0.193208 H\n0.791843 0.509114 0.306794 H\n0.373531 0.070572 0.070556 O\n0.732408 0.429443 0.429427 O\n0.626470 0.929429 0.929444 O\n0.267593 0.570558 0.570572 O\n0.928542 0.249887 0.250112 F\n0.071460 0.750114 0.749888 F\n0.077381 0.911936 0.337185 F\n0.328117 0.588068 0.162652 F\n0.922625 0.662666 0.088062 F\n0.671726 0.837201 0.411928 F\n0.922621 0.088065 0.662816 F\n0.671884 0.411933 0.837348 F\n0.077376 0.337335 0.911938 F\n0.328275 0.162801 0.588072 F\n",
"nsites": 26,
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"elements": [
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"V",
"H",
"O",
"F"
],
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"density_atomic": 0.09050434668782649,
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"formula_full": "Mn2 V2 H8 O4 F10",
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"updated_at": "2021-11-28T01:35:30.448000Z",
"spacegroup": 74
},
{
"id": "mp-1223637",
"created_at": "2022-09-04T14:41:27.760755Z",
"structure_string": "In1 Sb1\n1.0\n-2.944740 2.944740 1.636377\n2.944740 -2.944740 1.636377\n2.944740 2.944740 -1.636377\nIn Sb\n1 1\ndirect\n0.750000 0.250000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n",
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"elements": [
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],
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"density": 6.921276258509032,
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"volume": 56.759331173225135,
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"formula_full": "In1 Sb1",
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"formula_anonymous": "AB",
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"spacegroup": 119
},
{
"id": "mp-761051",
"created_at": "2022-09-04T14:41:27.761862Z",
"structure_string": "Na8 V4 P4 O24\n1.0\n4.930449 0.000000 0.000000\n0.000000 9.027521 0.000000\n0.000000 0.000000 11.466923\nNa V P O\n8 4 4 24\ndirect\n0.014060 0.323065 0.081441 Na\n0.539468 0.621962 0.127489 Na\n0.039468 0.121962 0.372511 Na\n0.514060 0.823065 0.418559 Na\n0.485940 0.323065 0.581441 Na\n0.960532 0.621962 0.627489 Na\n0.460532 0.121962 0.872511 Na\n0.985940 0.823065 0.918559 Na\n0.473122 0.000996 0.124638 V\n0.973122 0.500996 0.375362 V\n0.026878 0.000996 0.624638 V\n0.526878 0.500996 0.875362 V\n0.086413 0.806883 0.220871 P\n0.586413 0.306883 0.279129 P\n0.413587 0.806883 0.720871 P\n0.913587 0.306883 0.779129 P\n0.318042 0.470750 0.987089 O\n0.250597 0.114870 0.064129 O\n0.233830 0.813356 0.098288 O\n0.746760 0.434085 0.217429 O\n0.780010 0.827227 0.219178 O\n0.661841 0.152646 0.222914 O\n0.161841 0.652646 0.277086 O\n0.280010 0.327227 0.280822 O\n0.246760 0.934085 0.282571 O\n0.733830 0.313356 0.401712 O\n0.750597 0.614870 0.435871 O\n0.818042 0.970750 0.512911 O\n0.181958 0.470750 0.487089 O\n0.249403 0.114870 0.564129 O\n0.266170 0.813356 0.598288 O\n0.753240 0.434085 0.717429 O\n0.719990 0.827227 0.719178 O\n0.838159 0.152646 0.722914 O\n0.338159 0.652646 0.777086 O\n0.219990 0.327227 0.780822 O\n0.253240 0.934085 0.782571 O\n0.766170 0.313356 0.901712 O\n0.749403 0.614870 0.935871 O\n0.681958 0.970750 0.012911 O\n",
"nsites": 40,
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"elements": [
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"V",
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"O"
],
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"formula_full": "Na8 V4 P4 O24",
"formula_reduced": "Na2VPO6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:35:20.834000Z",
"spacegroup": 33
},
{
"id": "mp-1178211",
"created_at": "2022-09-04T14:41:27.763488Z",
"structure_string": "Fe2 Sn2 P4 O16\n1.0\n10.143631 0.000000 -0.008033\n0.000000 6.083515 0.000000\n-0.007456 0.000000 4.987583\nFe Sn P O\n2 2 4 16\ndirect\n0.276150 0.250000 0.946648 Fe\n0.723850 0.750000 0.053352 Fe\n0.221460 0.750000 0.468004 Sn\n0.778540 0.250000 0.531996 Sn\n0.095194 0.250000 0.419509 P\n0.403109 0.750000 0.907402 P\n0.596891 0.250000 0.092598 P\n0.904806 0.750000 0.580491 P\n0.050638 0.750000 0.679400 O\n0.104892 0.250000 0.720833 O\n0.168037 0.048933 0.281369 O\n0.168037 0.451067 0.281369 O\n0.326165 0.945284 0.762766 O\n0.326165 0.554716 0.762766 O\n0.377917 0.750000 0.213752 O\n0.451749 0.250000 0.149399 O\n0.548251 0.750000 0.850601 O\n0.622083 0.250000 0.786249 O\n0.673835 0.054716 0.237234 O\n0.673835 0.445284 0.237234 O\n0.831963 0.548933 0.718631 O\n0.831963 0.951067 0.718631 O\n0.895108 0.750000 0.279167 O\n0.949362 0.250000 0.320600 O\n",
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"elements": [
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],
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"density_atomic": 0.07797826973467202,
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"formula_full": "Fe2 Sn2 P4 O16",
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},
{
"id": "mp-1200022",
"created_at": "2022-09-04T14:41:27.764190Z",
"structure_string": "Yb6 H40 N8 O49\n1.0\n10.257858 0.000000 0.000000\n-3.886411 9.826791 0.000000\n-3.777214 -2.661533 10.519697\nYb H N O\n6 40 8 49\ndirect\n0.735156 0.474172 0.612819 Yb\n0.264844 0.525828 0.387181 Yb\n0.661020 0.770351 0.518575 Yb\n0.338980 0.229649 0.481425 Yb\n0.475110 0.570789 0.712950 Yb\n0.524890 0.429211 0.287050 Yb\n0.799106 0.732228 0.776288 H\n0.200894 0.267772 0.223712 H\n0.848093 0.646457 0.452155 H\n0.151907 0.353543 0.547845 H\n0.424512 0.792581 0.591204 H\n0.575488 0.207419 0.408796 H\n0.550145 0.341206 0.759539 H\n0.449855 0.658794 0.240461 H\n0.964779 0.538528 0.859804 H\n0.035221 0.461472 0.140196 H\n0.840098 0.404616 0.871161 H\n0.159902 0.595384 0.128839 H\n0.002282 0.753004 0.691827 H\n0.997718 0.246996 0.308173 H\n0.087683 0.651643 0.706017 H\n0.912317 0.348357 0.293983 H\n0.945162 0.968207 0.694267 H\n0.054838 0.031793 0.305733 H\n0.029515 0.951223 0.607299 H\n0.970485 0.048777 0.392701 H\n0.735559 0.054930 0.694318 H\n0.264441 0.945070 0.305682 H\n0.679711 0.927396 0.757405 H\n0.320289 0.072604 0.242595 H\n0.488953 0.839257 0.852353 H\n0.511047 0.160743 0.147647 H\n0.646184 0.843138 0.934363 H\n0.353816 0.156862 0.065637 H\n0.655832 0.578486 0.997696 H\n0.344168 0.421514 0.002304 H\n0.745330 0.567067 0.911736 H\n0.254670 0.432933 0.088264 H\n0.734295 0.988716 0.124720 H\n0.265705 0.011284 0.875280 H\n0.757705 0.855950 0.149998 H\n0.242295 0.144050 0.850002 H\n0.022715 0.804873 0.972178 H\n0.977285 0.195127 0.027822 H\n0.033475 0.937388 0.922575 H\n0.966525 0.062612 0.077425 H\n0.889927 0.275393 0.602281 N\n0.110073 0.724607 0.397719 N\n0.677243 0.981637 0.362629 N\n0.322757 0.018363 0.637371 N\n0.237637 0.507597 0.816687 N\n0.762363 0.492403 0.183313 N\n0.676544 0.211612 0.955652 N\n0.323456 0.788388 0.044348 N\n0.500000 0.500000 0.500000 O\n0.710464 0.674100 0.694921 O\n0.289536 0.325900 0.305079 O\n0.745955 0.606341 0.453107 O\n0.254045 0.393659 0.546893 O\n0.438053 0.709126 0.565347 O\n0.561947 0.290874 0.434653 O\n0.531391 0.366105 0.677003 O\n0.468609 0.633895 0.322997 O\n0.856370 0.493459 0.844418 O\n0.143630 0.506541 0.155582 O\n0.992397 0.658251 0.699365 O\n0.007603 0.341749 0.300635 O\n0.945481 0.898792 0.631664 O\n0.054519 0.101208 0.368336 O\n0.731704 0.961674 0.700250 O\n0.268296 0.038326 0.299750 O\n0.571135 0.817458 0.844942 O\n0.428865 0.182542 0.155058 O\n0.657046 0.583260 0.912846 O\n0.342954 0.416740 0.087154 O\n0.770044 0.922186 0.096386 O\n0.229956 0.077814 0.903614 O\n0.959215 0.848689 0.926255 O\n0.040785 0.151311 0.073745 O\n0.912836 0.384254 0.559807 O\n0.087164 0.615746 0.440193 O\n0.788570 0.237724 0.647781 O\n0.211430 0.762276 0.352219 O\n0.966825 0.206930 0.599039 O\n0.033175 0.793070 0.400961 O\n0.585993 0.951699 0.418218 O\n0.414007 0.048301 0.581782 O\n0.761126 0.915158 0.372394 O\n0.238874 0.084842 0.627606 O\n0.687045 0.073841 0.300442 O\n0.312955 0.926159 0.699558 O\n0.334041 0.453809 0.843532 O\n0.665959 0.546191 0.156468 O\n0.249921 0.592475 0.745250 O\n0.750079 0.407525 0.254750 O\n0.136082 0.476785 0.859947 O\n0.863918 0.523215 0.140053 O\n0.573486 0.248443 0.897710 O\n0.426514 0.751557 0.102290 O\n0.659568 0.142555 0.036747 O\n0.340432 0.857445 0.963253 O\n0.795468 0.244569 0.931577 O\n0.204532 0.755431 0.068423 O\n",
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"formula_full": "Yb6 H40 N8 O49",
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},
{
"id": "mp-1222732",
"created_at": "2022-09-04T14:41:27.765610Z",
"structure_string": "Li4 Ti2 Mn4 Ni2 O16\n1.0\n-0.000018 -4.139948 -4.139953\n8.347204 -4.150059 4.150057\n-4.230553 -4.201878 0.061998\nLi Ti Mn Ni O\n4 2 4 2 16\ndirect\n0.633239 0.125967 0.733515 Li\n0.133234 0.625991 0.733531 Li\n0.991778 0.999005 0.016442 Li\n0.491759 0.499031 0.016475 Li\n0.312511 0.062513 0.374983 Ti\n0.812531 0.562486 0.374942 Ti\n0.062512 0.812500 0.374998 Mn\n0.562517 0.812494 0.374987 Mn\n0.562543 0.312472 0.374974 Mn\n0.062374 0.312547 0.375176 Mn\n0.062525 0.312499 0.874983 Ni\n0.562489 0.812506 0.875015 Ni\n0.205560 0.928646 0.588883 O\n0.705531 0.428663 0.588922 O\n0.419428 0.196347 0.161126 O\n0.919453 0.696347 0.161089 O\n0.421380 0.708314 0.157238 O\n0.921374 0.208312 0.157253 O\n0.703636 0.916683 0.592738 O\n0.203629 0.416691 0.592757 O\n0.651870 0.933469 0.158197 O\n0.151848 0.433483 0.158230 O\n0.189924 0.933470 0.158203 O\n0.689921 0.433481 0.158209 O\n0.473145 0.691528 0.591780 O\n0.973110 0.191518 0.591800 O\n0.435101 0.191514 0.591773 O\n0.935077 0.691525 0.591781 O\n",
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"formula_full": "Li4 Ti2 Mn4 Ni2 O16",
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{
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}