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{
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{
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{
"id": "mp-28987",
"created_at": "2022-09-04T14:39:05.722836Z",
"structure_string": "Na4 Pt8 Se12\n1.0\n3.762507 -6.516853 0.000000\n3.762507 6.516853 0.000000\n0.000000 0.000000 11.640483\nNa Pt Se\n4 8 12\ndirect\n0.333333 0.666667 0.313756 Na\n0.666667 0.333333 0.813756 Na\n0.000000 0.000000 0.690901 Na\n0.000000 0.000000 0.190901 Na\n0.833872 0.166128 0.006410 Pt\n0.667743 0.833872 0.506410 Pt\n0.166128 0.332257 0.506410 Pt\n0.833872 0.667743 0.006410 Pt\n0.332257 0.166128 0.006410 Pt\n0.166128 0.833872 0.506410 Pt\n0.666667 0.333333 0.499163 Pt\n0.333333 0.666667 0.999163 Pt\n0.498394 0.501606 0.609950 Se\n0.996789 0.498394 0.109950 Se\n0.501606 0.003211 0.109950 Se\n0.498394 0.996789 0.609950 Se\n0.159810 0.840190 0.897633 Se\n0.319621 0.159810 0.397633 Se\n0.840190 0.680379 0.397633 Se\n0.159810 0.319621 0.897633 Se\n0.680379 0.840190 0.897633 Se\n0.840190 0.159810 0.397633 Se\n0.501606 0.498394 0.109950 Se\n0.003211 0.501606 0.609950 Se\n",
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{
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{
"id": "mp-1220630",
"created_at": "2022-09-04T14:39:40.022707Z",
"structure_string": "Pr16 Re25 B24\n1.0\n5.359417 3.099689 4.987092\n-5.359417 3.099689 4.987092\n0.000000 -12.387523 9.967312\nPr Re B\n16 25 24\ndirect\n0.184772 0.184772 0.350220 Pr\n0.189460 0.189460 0.845835 Pr\n0.187674 0.689660 0.094312 Pr\n0.185212 0.701096 0.592078 Pr\n0.689660 0.187674 0.094312 Pr\n0.701096 0.185212 0.592078 Pr\n0.810540 0.810540 0.154165 Pr\n0.815228 0.815228 0.649780 Pr\n0.814788 0.298904 0.407922 Pr\n0.812326 0.310340 0.905688 Pr\n0.298904 0.814788 0.407922 Pr\n0.310340 0.812326 0.905688 Pr\n0.641273 0.641273 0.320593 Pr\n0.642382 0.642382 0.821300 Pr\n0.357618 0.357618 0.178700 Pr\n0.358727 0.358727 0.679407 Pr\n0.066328 0.592226 0.297510 Re\n0.065970 0.597313 0.797691 Re\n0.596055 0.596055 0.032544 Re\n0.594374 0.594374 0.533092 Re\n0.592226 0.066328 0.297510 Re\n0.597313 0.065970 0.797691 Re\n0.934030 0.402687 0.202309 Re\n0.933672 0.407774 0.702490 Re\n0.405626 0.405626 0.466908 Re\n0.403945 0.403945 0.967456 Re\n0.402687 0.934030 0.202309 Re\n0.407774 0.933672 0.702490 Re\n0.912370 0.912370 0.331653 Re\n0.922037 0.922037 0.834549 Re\n0.912933 0.662960 0.456095 Re\n0.920758 0.671200 0.960360 Re\n0.662960 0.912933 0.456095 Re\n0.671200 0.920758 0.960360 Re\n0.077963 0.077963 0.165451 Re\n0.087630 0.087630 0.668347 Re\n0.079242 0.328800 0.039640 Re\n0.087067 0.337040 0.543905 Re\n0.328800 0.079242 0.039640 Re\n0.337040 0.087067 0.543905 Re\n0.000000 0.000000 0.000000 Re\n0.847091 0.150277 0.250522 B\n0.849723 0.152909 0.749478 B\n0.152075 0.499534 0.424542 B\n0.150682 0.499689 0.924065 B\n0.500311 0.849318 0.075935 B\n0.500466 0.847925 0.575458 B\n0.849318 0.500311 0.075935 B\n0.847925 0.500466 0.575458 B\n0.499534 0.152075 0.424542 B\n0.499689 0.150682 0.924065 B\n0.150277 0.847091 0.250522 B\n0.152909 0.849723 0.749478 B\n0.501077 0.673859 0.163382 B\n0.499131 0.672922 0.663229 B\n0.673888 0.326440 0.251266 B\n0.673560 0.326112 0.748734 B\n0.327078 0.500869 0.336771 B\n0.326141 0.498923 0.836618 B\n0.500869 0.327078 0.336771 B\n0.498923 0.326141 0.836618 B\n0.326440 0.673888 0.251266 B\n0.326112 0.673560 0.748734 B\n0.673859 0.501077 0.163382 B\n0.672922 0.499131 0.663229 B\n",
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"volume": 993.349549779181,
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"formula_full": "Pr16 Re25 B24",
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{
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"structure_string": "Sc2 Cu1 Pd1\n1.0\n-4.987671 5.579399 7.872279\n4.987671 -5.579399 7.872279\n4.987671 5.579399 -7.872279\nSc Cu Pd\n2 1 1\ndirect\n0.000000 0.263104 0.263104 Sc\n0.000000 0.736896 0.736896 Sc\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pd\n",
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{
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"structure_string": "Nd4 Cl8\n1.0\n3.601588 0.000000 0.000000\n0.000000 8.762357 0.000000\n0.000000 0.000000 10.089425\nNd Cl\n4 8\ndirect\n0.250000 0.127637 0.178906 Nd\n0.750000 0.872363 0.821094 Nd\n0.250000 0.372363 0.678906 Nd\n0.750000 0.627637 0.321094 Nd\n0.250000 0.450110 0.161677 Cl\n0.750000 0.549890 0.838323 Cl\n0.250000 0.049890 0.661677 Cl\n0.750000 0.950110 0.338323 Cl\n0.250000 0.832982 0.046953 Cl\n0.750000 0.167018 0.953047 Cl\n0.250000 0.667018 0.546953 Cl\n0.750000 0.332982 0.453047 Cl\n",
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"formula_full": "Nd4 Cl8",
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{
"id": "mp-676712",
"created_at": "2022-09-04T14:39:48.588650Z",
"structure_string": "Re12 Se12 Cl12\n1.0\n5.941406 -7.278058 0.000000\n5.941406 7.278058 0.000000\n0.000000 0.000000 11.023337\nRe Se Cl\n12 12 12\ndirect\n0.376477 0.623523 0.250000 Re\n0.313354 0.816312 0.094154 Re\n0.390715 0.893947 0.319292 Re\n0.623523 0.376477 0.750000 Re\n0.609285 0.106053 0.819292 Re\n0.686646 0.183688 0.594154 Re\n0.816312 0.313354 0.905846 Re\n0.893947 0.390715 0.680708 Re\n0.879049 0.120951 0.750000 Re\n0.106053 0.609285 0.180708 Re\n0.183688 0.686646 0.405846 Re\n0.120951 0.879049 0.250000 Re\n0.294154 0.552706 0.034279 Se\n0.447294 0.705846 0.465721 Se\n0.323891 0.073802 0.166645 Se\n0.552706 0.294154 0.965721 Se\n0.705846 0.447294 0.534279 Se\n0.676109 0.926198 0.666645 Se\n0.926198 0.676109 0.333355 Se\n0.795728 0.052661 0.965373 Se\n0.947339 0.204272 0.534627 Se\n0.073802 0.323891 0.833355 Se\n0.052661 0.795728 0.034627 Se\n0.204272 0.947339 0.465373 Se\n0.461157 0.538843 0.750000 Cl\n0.433724 0.183553 0.668874 Cl\n0.407691 0.902531 0.889386 Cl\n0.538843 0.461157 0.250000 Cl\n0.592309 0.097469 0.389386 Cl\n0.566276 0.816447 0.168874 Cl\n0.816447 0.566276 0.831126 Cl\n0.902531 0.407691 0.110614 Cl\n0.955848 0.044151 0.250000 Cl\n0.097469 0.592309 0.610614 Cl\n0.044151 0.955848 0.750000 Cl\n0.183553 0.433724 0.331126 Cl\n",
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"formula_full": "Re12 Se12 Cl12",
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{
"id": "mp-1176058",
"created_at": "2022-09-04T14:39:39.669435Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n4.836350 -0.127605 1.836388\n2.074209 9.906013 -2.307261\n-0.222621 -0.135473 5.878972\nLi Mn Co O\n9 2 5 16\ndirect\n0.501330 0.122502 0.936914 Li\n0.504010 0.378139 0.318193 Li\n0.503403 0.630610 0.685388 Li\n0.506061 0.865476 0.054739 Li\n0.501187 0.122701 0.438511 Li\n0.500138 0.382082 0.813054 Li\n0.493297 0.625935 0.197602 Li\n0.489743 0.866747 0.553334 Li\n0.002403 0.748315 0.626502 Li\n0.994569 0.998250 0.996495 Mn\n0.003536 0.250572 0.871598 Mn\n0.999118 0.251693 0.374839 Co\n0.004739 0.510389 0.748199 Co\n0.994217 0.749521 0.128457 Co\n0.998706 0.996595 0.499460 Co\n0.003294 0.504781 0.255626 Co\n0.235972 0.069907 0.746075 O\n0.208292 0.312449 0.093715 O\n0.247984 0.552632 0.471406 O\n0.228888 0.825675 0.868428 O\n0.199794 0.068250 0.224922 O\n0.243095 0.305782 0.606207 O\n0.230170 0.562276 0.983618 O\n0.217819 0.827154 0.350952 O\n0.766283 0.182920 0.133680 O\n0.785897 0.431001 0.511669 O\n0.761138 0.680252 0.914862 O\n0.753848 0.941639 0.261952 O\n0.794805 0.185700 0.651934 O\n0.773417 0.423106 0.007743 O\n0.768190 0.679354 0.389557 O\n0.784656 0.947592 0.784367 O\n",
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{
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"elements": [
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"density": 2.404227034454659,
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"formula_full": "V30 O75",
"formula_reduced": "V2O5",
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"formation_energy": null,
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"energy_uncorrected": -767.92666028,
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"updated_at": "2021-11-28T01:34:24.943000Z",
"spacegroup": 1
},
{
"id": "mp-9145",
"created_at": "2022-09-04T14:39:34.637491Z",
"structure_string": "Rb4 Sn2 Se6\n1.0\n7.321056 0.000000 0.000000\n3.266784 7.403626 0.000000\n2.884031 1.352395 8.616811\nRb Sn Se\n4 2 6\ndirect\n0.653335 0.462057 0.685788 Rb\n0.346665 0.537943 0.314212 Rb\n0.902977 0.798126 0.881830 Rb\n0.097023 0.201874 0.118170 Rb\n0.638744 0.938547 0.312742 Sn\n0.361256 0.061453 0.687258 Sn\n0.266076 0.961313 0.476068 Se\n0.733924 0.038687 0.523932 Se\n0.373326 0.816789 0.920327 Se\n0.626674 0.183211 0.079673 Se\n0.162659 0.389731 0.719035 Se\n0.837341 0.610269 0.280965 Se\n",
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"elements": [
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],
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"volume": 467.05149660507175,
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"formula_full": "Rb4 Sn2 Se6",
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"updated_at": "2021-11-28T01:34:24.944000Z",
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},
{
"id": "mp-753569",
"created_at": "2022-09-04T14:39:33.263540Z",
"structure_string": "Li5 Fe2 Co5 O12\n1.0\n4.447523 2.525229 0.000000\n-4.447523 2.525229 0.000000\n0.000000 1.906951 9.654033\nLi Fe Co O\n5 2 5 12\ndirect\n0.824368 0.666406 0.759068 Li\n0.670396 0.827625 0.239251 Li\n0.333594 0.175632 0.240932 Li\n0.172375 0.329604 0.760749 Li\n0.083938 0.916062 0.000000 Li\n0.248925 0.751075 0.500000 Fe\n0.748875 0.251125 0.000000 Fe\n0.910600 0.089400 0.500000 Co\n0.002269 0.510122 0.241332 Co\n0.489878 0.997731 0.758668 Co\n0.584352 0.415648 0.500000 Co\n0.419254 0.580746 0.000000 Co\n0.851337 0.371357 0.625551 O\n0.695736 0.531207 0.114564 O\n0.628643 0.148663 0.374449 O\n0.952322 0.770108 0.387483 O\n0.468793 0.304264 0.885436 O\n0.764455 0.949223 0.881137 O\n0.229892 0.047678 0.612517 O\n0.525387 0.709189 0.612867 O\n0.384172 0.857166 0.116954 O\n0.050777 0.235545 0.118863 O\n0.290811 0.474613 0.387133 O\n0.142834 0.615828 0.883046 O\n",
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}
]
}