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{
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{
"id": "mp-753305",
"created_at": "2022-09-04T14:40:10.617322Z",
"structure_string": "Li2 Ti2 Si2 O8\n1.0\n-2.839656 2.900527 4.037600\n2.839656 -2.900527 4.037600\n2.839656 2.900527 -4.037600\nLi Ti Si O\n2 2 2 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.633815 0.883815 0.750000 Si\n0.366185 0.116185 0.250000 Si\n0.246557 0.233191 0.486635 O\n0.246557 0.759922 0.013365 O\n0.721984 0.237661 0.484323 O\n0.253339 0.237661 0.015677 O\n0.278016 0.762339 0.515677 O\n0.746661 0.762339 0.984323 O\n0.753443 0.240078 0.986635 O\n0.753443 0.766809 0.513365 O\n",
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{
"id": "mp-1073663",
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{
"id": "mp-18680",
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"structure_string": "Tm16 S22\n1.0\n1.876423 -6.342268 0.000000\n1.876423 6.342268 0.000000\n0.000000 0.000000 35.085013\nTm S\n16 22\ndirect\n0.980974 0.019026 0.632834 Tm\n0.019026 0.980974 0.367166 Tm\n0.019026 0.980974 0.132834 Tm\n0.980974 0.019026 0.867166 Tm\n0.759826 0.240174 0.182954 Tm\n0.240174 0.759826 0.817046 Tm\n0.240174 0.759826 0.682954 Tm\n0.759826 0.240174 0.317046 Tm\n0.742947 0.257053 0.557968 Tm\n0.257053 0.742947 0.442032 Tm\n0.257053 0.742947 0.057968 Tm\n0.742947 0.257053 0.942032 Tm\n0.510578 0.489422 0.250000 Tm\n0.489422 0.510578 0.750000 Tm\n0.000000 0.000000 0.500000 Tm\n0.000000 0.000000 0.000000 Tm\n0.603111 0.396889 0.837109 S\n0.396889 0.603111 0.162891 S\n0.396889 0.603111 0.337109 S\n0.603111 0.396889 0.662891 S\n0.664991 0.335009 0.111629 S\n0.335009 0.664991 0.888371 S\n0.335009 0.664991 0.611629 S\n0.664991 0.335009 0.388371 S\n0.646895 0.353105 0.016047 S\n0.353105 0.646895 0.983953 S\n0.353105 0.646895 0.516047 S\n0.646895 0.353105 0.483953 S\n0.885387 0.114613 0.796664 S\n0.114613 0.885387 0.203336 S\n0.114613 0.885387 0.296664 S\n0.885387 0.114613 0.703336 S\n0.142539 0.857461 0.750000 S\n0.857461 0.142539 0.250000 S\n0.909820 0.090180 0.431576 S\n0.090180 0.909820 0.568424 S\n0.090180 0.909820 0.931576 S\n0.909820 0.090180 0.068424 S\n",
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{
"id": "mp-1187812",
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"structure_string": "Zn3\n1.0\n7.455517 -1.327022 0.000000\n7.455517 1.327022 0.000000\n7.219318 0.000000 2.286301\nZn\n3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.221996 0.221996 0.221996 Zn\n0.778004 0.778004 0.778004 Zn\n",
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},
{
"id": "mp-1188117",
"created_at": "2022-09-04T14:40:10.628940Z",
"structure_string": "Rb4 Mn6 O8\n1.0\n0.041961 0.000000 -6.074313\n0.000000 -6.814186 0.000000\n-7.813732 3.407093 1.644511\nRb Mn O\n4 6 8\ndirect\n0.501981 0.510573 0.763555 Rb\n0.998019 0.747018 0.236445 Rb\n0.498019 0.489427 0.236445 Rb\n0.001981 0.252982 0.763555 Rb\n0.250000 0.982466 0.000000 Mn\n0.750000 0.017534 0.000000 Mn\n0.409924 0.922151 0.613266 Mn\n0.090076 0.308885 0.386734 Mn\n0.590076 0.077849 0.386734 Mn\n0.909924 0.691115 0.613266 Mn\n0.454958 0.100676 0.875816 O\n0.045042 0.224860 0.124184 O\n0.545042 0.899324 0.124184 O\n0.954958 0.775140 0.875816 O\n0.210142 0.638047 0.520631 O\n0.289858 0.117416 0.479369 O\n0.789858 0.361953 0.479369 O\n0.710142 0.882584 0.520631 O\n",
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"elements": [
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"density": 4.110805011828419,
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"volume": 322.95186204489505,
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"formula_full": "Rb4 Mn6 O8",
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},
{
"id": "mp-1187022",
"created_at": "2022-09-04T14:40:10.642869Z",
"structure_string": "Sm2 Ho6\n1.0\n3.609776 -6.252315 0.000000\n3.609776 6.252315 0.000000\n0.000000 0.000000 5.727442\nSm Ho\n2 6\ndirect\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n0.165434 0.330868 0.250000 Ho\n0.669132 0.834566 0.250000 Ho\n0.165434 0.834566 0.250000 Ho\n0.834566 0.669132 0.750000 Ho\n0.330868 0.165434 0.750000 Ho\n0.834566 0.165434 0.750000 Ho\n",
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{
"id": "mp-777417",
"created_at": "2022-09-04T14:40:10.607236Z",
"structure_string": "Li4 Ti5 Mn3 O16\n1.0\n2.947096 5.298045 0.000000\n-2.947096 5.298045 0.000000\n0.000000 0.336787 9.652537\nLi Ti Mn O\n4 5 3 16\ndirect\n0.655380 0.655380 0.100373 Li\n0.998140 0.998140 0.008571 Li\n0.007294 0.007294 0.506307 Li\n0.335162 0.335162 0.599451 Li\n0.173624 0.173624 0.267101 Ti\n0.349849 0.843397 0.778132 Ti\n0.664728 0.664728 0.500125 Ti\n0.843397 0.349849 0.778132 Ti\n0.339804 0.339804 0.002495 Ti\n0.833789 0.833789 0.792517 Mn\n0.166513 0.659426 0.290698 Mn\n0.659426 0.166513 0.290698 Mn\n0.349919 0.839092 0.408838 O\n0.522777 0.522777 0.662823 O\n0.651016 0.651016 0.895028 O\n0.010083 0.010083 0.695510 O\n0.999226 0.999226 0.199606 O\n0.839092 0.349919 0.408838 O\n0.501542 0.963815 0.656261 O\n0.963815 0.501542 0.656261 O\n0.166766 0.166766 0.898131 O\n0.838861 0.838861 0.411098 O\n0.025323 0.463889 0.154391 O\n0.463889 0.025323 0.154391 O\n0.328168 0.328168 0.388777 O\n0.182490 0.659857 0.913575 O\n0.469749 0.469749 0.160455 O\n0.659857 0.182490 0.913575 O\n",
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{
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{
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{
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"structure_string": "Li10 Mn8 P16 O56\n1.0\n9.783886 0.000000 0.000000\n0.076717 9.801875 0.000000\n0.057471 2.596389 10.968069\nLi Mn P O\n10 8 16 56\ndirect\n0.427936 0.841247 0.532437 Li\n0.112575 0.913280 0.023066 Li\n0.920523 0.663223 0.460332 Li\n0.041310 0.379247 0.505503 Li\n0.410593 0.416274 0.026131 Li\n0.588655 0.143507 0.957211 Li\n0.099478 0.359321 0.045579 Li\n0.895747 0.087287 0.966343 Li\n0.591892 0.164110 0.457975 Li\n0.278246 0.115662 0.547624 Li\n0.927970 0.800836 0.676028 Mn\n0.229541 0.731954 0.831172 Mn\n0.713533 0.760913 0.172039 Mn\n0.426685 0.696558 0.328755 Mn\n0.575540 0.296141 0.675179 Mn\n0.278735 0.244732 0.827891 Mn\n0.772925 0.269789 0.165634 Mn\n0.070539 0.199318 0.324538 Mn\n0.455534 0.977448 0.752288 P\n0.711937 0.875937 0.887848 P\n0.926214 0.938180 0.240000 P\n0.144888 0.874792 0.431534 P\n0.644121 0.617914 0.578423 P\n0.419919 0.570382 0.752046 P\n0.044491 0.480776 0.757256 P\n0.217286 0.619407 0.115537 P\n0.783009 0.390126 0.890552 P\n0.948773 0.527418 0.242294 P\n0.577311 0.427378 0.244400 P\n0.353044 0.376940 0.420796 P\n0.852721 0.121026 0.583496 P\n0.077958 0.063798 0.757043 P\n0.294619 0.115013 0.110069 P\n0.548190 0.017579 0.248591 P\n0.429149 0.987077 0.618437 O\n0.845325 0.965652 0.576414 O\n0.091207 0.913629 0.736851 O\n0.347116 0.901396 0.839868 O\n0.594278 0.891025 0.783798 O\n0.832071 0.814495 0.829223 O\n0.656230 0.775881 0.004363 O\n0.268748 0.977020 0.080547 O\n0.070238 0.881280 0.301392 O\n0.937649 0.936552 0.106225 O\n0.542255 0.862132 0.225133 O\n0.285207 0.810929 0.417513 O\n0.818898 0.825326 0.300601 O\n0.049235 0.784045 0.526403 O\n0.552473 0.704174 0.477172 O\n0.315776 0.684693 0.684578 O\n0.785519 0.676361 0.585984 O\n0.036849 0.635798 0.776910 O\n0.568330 0.627041 0.705817 O\n0.397626 0.577169 0.884739 O\n0.758917 0.524786 0.925629 O\n0.166400 0.726107 0.997225 O\n0.331810 0.681790 0.177103 O\n0.091405 0.608121 0.209218 O\n0.590098 0.574206 0.268091 O\n0.842473 0.616862 0.158779 O\n0.077544 0.473995 0.629207 O\n0.346298 0.531151 0.427715 O\n0.652182 0.461355 0.575592 O\n0.934971 0.513515 0.377558 O\n0.137499 0.399105 0.859703 O\n0.409039 0.422598 0.727932 O\n0.895820 0.408162 0.783022 O\n0.663432 0.317316 0.840325 O\n0.847393 0.274065 0.001443 O\n0.242147 0.476670 0.091241 O\n0.586189 0.410955 0.113773 O\n0.428915 0.369773 0.294051 O\n0.957322 0.383061 0.203439 O\n0.210545 0.317084 0.414309 O\n0.685460 0.318652 0.312675 O\n0.439330 0.281519 0.520571 O\n0.935053 0.212394 0.481639 O\n0.186076 0.163384 0.685916 O\n0.706531 0.174317 0.597686 O\n0.475612 0.129533 0.778283 O\n0.076951 0.075391 0.889392 O\n0.928459 0.123730 0.709745 O\n0.732028 0.021282 0.910021 O\n0.370964 0.219804 0.003850 O\n0.172426 0.189075 0.155250 O\n0.398858 0.085613 0.226098 O\n0.641827 0.103171 0.147697 O\n0.901635 0.084721 0.265095 O\n0.159528 0.025056 0.446627 O\n0.579024 0.016520 0.378521 O\n",
"nsites": 90,
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"elements": [
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"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.000249214740446,
"density_atomic": 0.08556414045828441,
"volume": 1051.8425068954937,
"volume_molar": 7.038159593195481,
"formula_full": "Li10 Mn8 P16 O56",
"formula_reduced": "Li5Mn4(P2O7)4",
"formula_anonymous": "A4B5C8D28",
"energy": -685.33782079,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -633.52182079,
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"updated_at": "2021-11-28T01:34:49.320000Z",
"spacegroup": 1
},
{
"id": "mp-1168",
"created_at": "2022-09-04T14:40:10.644658Z",
"structure_string": "Hf2 Te10\n1.0\n2.015313 -7.927145 0.000000\n2.015313 7.927145 0.000000\n0.000000 0.000000 13.839638\nHf Te\n2 10\ndirect\n0.312220 0.687780 0.250000 Hf\n0.687780 0.312220 0.750000 Hf\n0.786233 0.213767 0.933632 Te\n0.213767 0.786233 0.066368 Te\n0.327585 0.672415 0.750000 Te\n0.672415 0.327585 0.250000 Te\n0.082929 0.917071 0.850452 Te\n0.917071 0.082929 0.149548 Te\n0.917071 0.082929 0.350452 Te\n0.082929 0.917071 0.649548 Te\n0.786233 0.213767 0.566368 Te\n0.213767 0.786233 0.433632 Te\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Hf-Te",
"density": 6.1321946008436194,
"density_atomic": 0.027137335962537798,
"volume": 442.1952109287959,
"volume_molar": 22.19134836342583,
"formula_full": "Hf2 Te10",
"formula_reduced": "HfTe5",
"formula_anonymous": "AB5",
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"updated_at": "2021-11-28T01:34:47.579000Z",
"spacegroup": 63
},
{
"id": "mp-1095742",
"created_at": "2022-09-04T14:40:10.644850Z",
"structure_string": "Nb2 V1 Mo1\n1.0\n-4.541313 5.440507 7.692200\n4.541313 -5.440507 7.692200\n4.541313 5.440507 -7.692200\nNb V Mo\n2 1 1\ndirect\n0.000000 0.254797 0.254797 Nb\n0.000000 0.745203 0.745203 Nb\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Mo\n",
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],
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"volume": 760.2061312941132,
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"formula_full": "Nb2 V1 Mo1",
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]
}