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{
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"results": [
{
"id": "mp-1221031",
"created_at": "2022-09-04T14:47:13.942587Z",
"structure_string": "Na1 Nd9 Si6 O26\n1.0\n4.826165 -8.359163 0.000000\n4.826165 8.359163 0.000000\n0.000000 0.000000 7.106372\nNa Nd Si O\n1 9 6 26\ndirect\n0.666667 0.333333 0.494843 Na\n0.000000 0.000000 0.999182 Nd\n0.000000 0.000000 0.499496 Nd\n0.666667 0.333333 0.997933 Nd\n0.573477 0.673275 0.747812 Nd\n0.326725 0.900202 0.747812 Nd\n0.099798 0.426523 0.747812 Nd\n0.088512 0.655536 0.251453 Nd\n0.344464 0.432976 0.251453 Nd\n0.567024 0.911488 0.251453 Nd\n0.363354 0.295003 0.750220 Si\n0.704997 0.068350 0.750220 Si\n0.931650 0.636646 0.750220 Si\n0.303708 0.036240 0.247082 Si\n0.963760 0.267468 0.247082 Si\n0.732532 0.696292 0.247082 Si\n0.411462 0.419105 0.571632 O\n0.580895 0.992357 0.571632 O\n0.007643 0.588538 0.571632 O\n0.231789 0.914373 0.063393 O\n0.085627 0.317415 0.063393 O\n0.682585 0.768211 0.063393 O\n0.238206 0.919114 0.434655 O\n0.080886 0.319092 0.434655 O\n0.680908 0.761794 0.434655 O\n0.424127 0.414506 0.936022 O\n0.585494 0.009622 0.936022 O\n0.990378 0.575873 0.936022 O\n0.167111 0.175362 0.749274 O\n0.824638 0.991749 0.749274 O\n0.008251 0.832889 0.749274 O\n0.496034 0.144984 0.239857 O\n0.855016 0.351050 0.239857 O\n0.648950 0.503966 0.239857 O\n0.333333 0.666667 0.756417 O\n0.333333 0.666667 0.251128 O\n0.454919 0.191977 0.759166 O\n0.808023 0.262942 0.759166 O\n0.737058 0.545081 0.759166 O\n0.205739 0.136511 0.249759 O\n0.863489 0.069228 0.249759 O\n0.930772 0.794261 0.249759 O\n",
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"elements": [
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],
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"volume": 573.3804659460334,
"volume_molar": 8.221375892765238,
"formula_full": "Na1 Nd9 Si6 O26",
"formula_reduced": "NaNd9(Si3O13)2",
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},
{
"id": "mp-1247577",
"created_at": "2022-09-04T14:47:13.948618Z",
"structure_string": "Sr4 Ca28 Ti4 Mn28 O88\n1.0\n10.916344 -0.006803 -0.082971\n-0.008357 15.626199 -0.025841\n-0.080999 -0.018744 10.880479\nSr Ca Ti Mn O\n4 28 4 28 88\ndirect\n0.998883 0.111354 0.503830 Sr\n0.501428 0.387500 0.998631 Sr\n0.242840 0.388077 0.256113 Sr\n0.230982 0.119524 0.250694 Sr\n0.988926 0.114819 0.008861 Ca\n0.017161 0.627431 0.499363 Ca\n0.016453 0.626220 0.994723 Ca\n0.539447 0.127284 0.480984 Ca\n0.549090 0.123963 0.984036 Ca\n0.522176 0.625306 0.499449 Ca\n0.522078 0.624022 0.998733 Ca\n0.495076 0.394566 0.500338 Ca\n0.494835 0.856103 0.003683 Ca\n0.495954 0.855660 0.497115 Ca\n0.966272 0.389005 0.998372 Ca\n0.964461 0.391781 0.502727 Ca\n0.967704 0.865305 0.004414 Ca\n0.969080 0.869848 0.515596 Ca\n0.234637 0.400798 0.746910 Ca\n0.229036 0.860140 0.260097 Ca\n0.226163 0.867923 0.747953 Ca\n0.739856 0.393925 0.250936 Ca\n0.734506 0.389079 0.750649 Ca\n0.733548 0.860151 0.250861 Ca\n0.738913 0.860696 0.749898 Ca\n0.222669 0.108644 0.727703 Ca\n0.271264 0.627335 0.260047 Ca\n0.271169 0.629108 0.756916 Ca\n0.773394 0.114790 0.245780 Ca\n0.782477 0.121776 0.756181 Ca\n0.766942 0.626253 0.253694 Ca\n0.768937 0.624929 0.755720 Ca\n0.987683 0.983380 0.260706 Ti\n0.230809 0.988741 0.013052 Ti\n0.263259 0.232949 0.934834 Ti\n0.980867 0.255987 0.273884 Ti\n0.993052 0.992197 0.756726 Mn\n0.001963 0.504100 0.249555 Mn\n0.000319 0.504121 0.749519 Mn\n0.506831 0.989757 0.232388 Mn\n0.508245 0.983547 0.735858 Mn\n0.499521 0.506924 0.250276 Mn\n0.497663 0.505656 0.750683 Mn\n0.244628 0.992820 0.510577 Mn\n0.249205 0.510675 0.004590 Mn\n0.250176 0.505781 0.504598 Mn\n0.746770 0.994382 0.991458 Mn\n0.739427 0.997493 0.498840 Mn\n0.750943 0.504762 0.001675 Mn\n0.748413 0.505470 0.501603 Mn\n0.269909 0.245291 0.471822 Mn\n0.250024 0.749958 0.005235 Mn\n0.251622 0.749558 0.505906 Mn\n0.757607 0.250569 0.003059 Mn\n0.745858 0.252566 0.506238 Mn\n0.750139 0.746105 0.001091 Mn\n0.750560 0.746982 0.502476 Mn\n0.992019 0.258058 0.757296 Mn\n0.000480 0.744772 0.251864 Mn\n0.002517 0.748057 0.753294 Mn\n0.527592 0.257848 0.257508 Mn\n0.516372 0.253647 0.749187 Mn\n0.499480 0.747003 0.253272 Mn\n0.499665 0.746558 0.754244 Mn\n0.109680 0.776800 0.106637 O\n0.108659 0.773954 0.606580 O\n0.591212 0.250943 0.097766 O\n0.582888 0.258368 0.581721 O\n0.611399 0.763925 0.113295 O\n0.609218 0.765905 0.616443 O\n0.405790 0.208409 0.353644 O\n0.397621 0.182791 0.854347 O\n0.395060 0.728726 0.399499 O\n0.396794 0.728690 0.901989 O\n0.902526 0.243079 0.417695 O\n0.914023 0.241403 0.921970 O\n0.893714 0.729110 0.392667 O\n0.894587 0.729922 0.894161 O\n0.146226 0.249124 0.330195 O\n0.173936 0.251372 0.790964 O\n0.148741 0.733524 0.354450 O\n0.149052 0.733008 0.855496 O\n0.662174 0.218318 0.350100 O\n0.659803 0.226286 0.856756 O\n0.642038 0.728486 0.359122 O\n0.643636 0.725637 0.859367 O\n0.357435 0.774037 0.146000 O\n0.357106 0.771146 0.649921 O\n0.853894 0.273429 0.154624 O\n0.847618 0.277912 0.651527 O\n0.859377 0.768430 0.142956 O\n0.861696 0.769191 0.643463 O\n0.360683 0.490036 0.139500 O\n0.354248 0.495439 0.645976 O\n0.358313 0.015034 0.130212 O\n0.348678 0.991490 0.666688 O\n0.861786 0.483423 0.141368 O\n0.858001 0.482208 0.643079 O\n0.854909 0.977292 0.142589 O\n0.847077 0.977418 0.644228 O\n0.138956 0.003938 0.364497 O\n0.147845 0.020020 0.869992 O\n0.145133 0.520753 0.355682 O\n0.146798 0.519515 0.854871 O\n0.630173 0.028922 0.347909 O\n0.633647 0.027560 0.842076 O\n0.642505 0.522653 0.359563 O\n0.641067 0.517975 0.859593 O\n0.391916 0.518512 0.396103 O\n0.389818 0.517644 0.893692 O\n0.880039 0.009689 0.388241 O\n0.890766 0.013604 0.893859 O\n0.894647 0.519688 0.393109 O\n0.894835 0.518042 0.892572 O\n0.107595 0.478978 0.104541 O\n0.105651 0.480433 0.606075 O\n0.104237 0.974794 0.115750 O\n0.099938 0.982239 0.622267 O\n0.616732 0.490005 0.116589 O\n0.609000 0.488077 0.612049 O\n0.599950 0.988928 0.080692 O\n0.583859 0.990978 0.579343 O\n0.002888 0.380423 0.283210 O\n0.014453 0.379660 0.785835 O\n0.999939 0.868524 0.292241 O\n0.007759 0.869549 0.793744 O\n0.500264 0.379084 0.277425 O\n0.488757 0.378400 0.766920 O\n0.505556 0.870870 0.284129 O\n0.513601 0.870180 0.794424 O\n0.487797 0.626483 0.212967 O\n0.489555 0.627718 0.713991 O\n0.992240 0.130778 0.227793 O\n0.998510 0.135098 0.726310 O\n0.991501 0.625521 0.208892 O\n0.991027 0.625096 0.713201 O\n0.202533 0.150418 0.032459 O\n0.248746 0.122866 0.520219 O\n0.233631 0.633773 0.044362 O\n0.234334 0.629596 0.540660 O\n0.758891 0.123646 0.032700 O\n0.749081 0.123534 0.541034 O\n0.746652 0.624964 0.037198 O\n0.744469 0.626236 0.540337 O\n0.276866 0.367258 0.497966 O\n0.283087 0.334216 0.009691 O\n0.280493 0.878265 0.467654 O\n0.275566 0.882210 0.964704 O\n0.745244 0.379092 0.465829 O\n0.748478 0.376610 0.968532 O\n0.744914 0.872549 0.465610 O\n0.748939 0.870856 0.963332 O\n",
"nsites": 152,
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"elements": [
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"Ca",
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"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr-Ti",
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"density_atomic": 0.08190133328529219,
"volume": 1855.8916430643274,
"volume_molar": 7.352921519632274,
"formula_full": "Sr4 Ca28 Ti4 Mn28 O88",
"formula_reduced": "SrCa7TiMn7O22",
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"updated_at": "2021-11-28T01:37:58.398000Z",
"spacegroup": 1
},
{
"id": "mp-972217",
"created_at": "2022-09-04T14:47:13.954809Z",
"structure_string": "Ti2 Cu1 Tc1\n1.0\n0.000000 3.089415 3.089415\n3.089415 0.000000 3.089415\n3.089415 3.089415 0.000000\nTi Cu Tc\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 Ti\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Tc\n",
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"Cu",
"Tc"
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"formula_full": "Ti2 Cu1 Tc1",
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"updated_at": "2021-11-28T01:37:59.062000Z",
"spacegroup": 225
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{
"id": "mp-1181748",
"created_at": "2022-09-04T14:47:13.958293Z",
"structure_string": "Co6 Ag9 Sb3 O18\n1.0\n2.722991 -4.716358 0.000000\n2.722991 4.716358 0.000000\n0.000000 0.000000 18.973494\nCo Ag Sb O\n6 9 3 18\ndirect\n0.107289 0.892711 0.333333 Co\n0.107289 0.214578 0.666667 Co\n0.785422 0.892711 0.000000 Co\n0.774144 0.225856 0.333333 Co\n0.774144 0.548287 0.666667 Co\n0.451713 0.225856 0.000000 Co\n0.445601 0.222800 0.500000 Ag\n0.777200 0.222800 0.833333 Ag\n0.777200 0.554399 0.166667 Ag\n0.116770 0.558385 0.500000 Ag\n0.441615 0.558385 0.833333 Ag\n0.441615 0.883230 0.166667 Ag\n0.763073 0.881536 0.500000 Ag\n0.118464 0.881536 0.833333 Ag\n0.118464 0.236927 0.166667 Ag\n0.439680 0.560320 0.333333 Sb\n0.439680 0.879360 0.666667 Sb\n0.120640 0.560320 0.000000 Sb\n0.760513 0.559729 0.278827 O\n0.440271 0.200784 0.612160 O\n0.799216 0.239487 0.945494 O\n0.760513 0.200784 0.721173 O\n0.440271 0.239487 0.387840 O\n0.799216 0.559729 0.054506 O\n0.437027 0.877046 0.278037 O\n0.122954 0.559981 0.611370 O\n0.440019 0.562973 0.944704 O\n0.437027 0.559981 0.721963 O\n0.122954 0.562973 0.388630 O\n0.440019 0.877046 0.055296 O\n0.118135 0.240888 0.278754 O\n0.759112 0.877247 0.612087 O\n0.122753 0.881865 0.945420 O\n0.118135 0.877247 0.721246 O\n0.759112 0.881865 0.387913 O\n0.122753 0.240888 0.054580 O\n",
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"formula_full": "Co6 Ag9 Sb3 O18",
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{
"id": "mp-753790",
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"structure_string": "Hf4 Fe4 O12\n1.0\n5.037946 0.000000 0.000000\n0.000000 5.330404 0.000000\n0.000000 0.000000 8.777200\nHf Fe O\n4 4 12\ndirect\n0.044528 0.429565 0.250000 Hf\n0.455472 0.929565 0.250000 Hf\n0.544528 0.070435 0.750000 Hf\n0.955472 0.570435 0.750000 Hf\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.177776 0.905780 0.750000 O\n0.194896 0.700775 0.100769 O\n0.194896 0.700775 0.399231 O\n0.305104 0.200775 0.100769 O\n0.305104 0.200775 0.399231 O\n0.322224 0.405780 0.750000 O\n0.677776 0.594220 0.250000 O\n0.694896 0.799225 0.600769 O\n0.694896 0.799225 0.899231 O\n0.805104 0.299225 0.600769 O\n0.805104 0.299225 0.899231 O\n0.822224 0.094220 0.250000 O\n",
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"formula_full": "Hf4 Fe4 O12",
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{
"id": "mp-997033",
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"structure_string": "Au2 Br2 O4\n1.0\n3.754942 -5.634205 0.000000\n3.754942 5.634205 0.000000\n0.000000 0.000000 4.200301\nAu Br O\n2 2 4\ndirect\n0.262888 0.262888 0.500000 Au\n0.737112 0.737112 0.000000 Au\n0.365334 0.634666 0.250000 Br\n0.634666 0.365334 0.750000 Br\n0.013388 0.814873 0.715391 O\n0.185127 0.986612 0.784609 O\n0.814873 0.013388 0.284609 O\n0.986612 0.185127 0.215391 O\n",
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{
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