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{
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"results": [
{
"id": "mp-754003",
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"structure_string": "W2 O2 F8\n1.0\n5.257785 0.000000 0.000000\n-0.956801 6.066558 0.000000\n-0.337544 -1.454405 6.259259\nW O F\n2 2 8\ndirect\n0.865215 0.257396 0.785352 W\n0.134785 0.742604 0.214648 W\n0.658578 0.004511 0.739697 O\n0.341422 0.995489 0.260303 O\n0.178056 0.164839 0.862778 F\n0.145248 0.623046 0.905141 F\n0.631737 0.453529 0.745882 F\n0.981435 0.262695 0.513920 F\n0.018565 0.737305 0.486080 F\n0.368263 0.546471 0.254118 F\n0.854753 0.376954 0.094859 F\n0.821944 0.835161 0.137222 F\n",
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{
"id": "mp-697096",
"created_at": "2022-09-04T14:40:40.064522Z",
"structure_string": "Na2 H4 Pt1\n1.0\n-2.639846 2.639846 3.373097\n2.639846 -2.639846 3.373097\n2.639846 2.639846 -3.373097\nNa H Pt\n2 4 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.222033 0.222033 0.444066 H\n0.777967 0.777967 0.555934 H\n0.222033 0.777967 0.000000 H\n0.777967 0.222033 0.000000 H\n0.000000 0.000000 0.000000 Pt\n",
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"formula_full": "Na2 H4 Pt1",
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"formula_anonymous": "AB2C4",
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"updated_at": "2021-11-28T01:35:06.921000Z",
"spacegroup": 139
},
{
"id": "mp-28985",
"created_at": "2022-09-04T14:39:23.563337Z",
"structure_string": "Sb4 Se4 Cl36\n1.0\n11.658734 0.000000 0.000000\n0.000000 9.734966 0.000000\n0.000000 3.173248 13.170322\nSb Se Cl\n4 4 36\ndirect\n0.250000 0.978750 0.378153 Sb\n0.750000 0.021250 0.621847 Sb\n0.250000 0.334459 0.828746 Sb\n0.750000 0.665541 0.171254 Sb\n0.750000 0.635283 0.678381 Se\n0.250000 0.364717 0.321619 Se\n0.250000 0.947239 0.880621 Se\n0.750000 0.052761 0.119379 Se\n0.607326 0.524481 0.625091 Cl\n0.107326 0.475519 0.374909 Cl\n0.750000 0.839012 0.005275 Cl\n0.250000 0.160988 0.994725 Cl\n0.894000 0.819987 0.223939 Cl\n0.394000 0.180013 0.776061 Cl\n0.106000 0.180013 0.776061 Cl\n0.606000 0.819987 0.223939 Cl\n0.750000 0.514628 0.336009 Cl\n0.250000 0.485372 0.663991 Cl\n0.898458 0.538639 0.111906 Cl\n0.398458 0.461361 0.888094 Cl\n0.101542 0.461361 0.888094 Cl\n0.601542 0.538639 0.111906 Cl\n0.392674 0.475519 0.374909 Cl\n0.892674 0.524481 0.625091 Cl\n0.750000 0.864554 0.501807 Cl\n0.250000 0.135446 0.498193 Cl\n0.605578 0.854857 0.717574 Cl\n0.105578 0.145143 0.282426 Cl\n0.394422 0.145143 0.282426 Cl\n0.894422 0.854857 0.717574 Cl\n0.750000 0.145502 0.752648 Cl\n0.250000 0.854498 0.247352 Cl\n0.602189 0.159278 0.528632 Cl\n0.102189 0.840722 0.471368 Cl\n0.397811 0.840722 0.471368 Cl\n0.897811 0.159278 0.528632 Cl\n0.250000 0.481115 0.161488 Cl\n0.750000 0.518885 0.838512 Cl\n0.750000 0.160129 0.244340 Cl\n0.250000 0.839871 0.755660 Cl\n0.892702 0.167052 0.030932 Cl\n0.392702 0.832948 0.969068 Cl\n0.107298 0.832948 0.969068 Cl\n0.607298 0.167052 0.030932 Cl\n",
"nsites": 44,
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"elements": [
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],
"chemical_system": "Cl-Sb-Se",
"density": 2.309726895531181,
"density_atomic": 0.02943543447834203,
"volume": 1494.7970288114575,
"volume_molar": 20.458813898028115,
"formula_full": "Sb4 Se4 Cl36",
"formula_reduced": "SbSeCl9",
"formula_anonymous": "ABC9",
"energy": -142.31723358,
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"updated_at": "2021-11-28T01:34:29.103000Z",
"spacegroup": 11
},
{
"id": "mp-1520075",
"created_at": "2022-09-04T14:40:57.258319Z",
"structure_string": "K1 Tb1 Pr1 Sb1 O6\n1.0\n0.000000 -4.189975 -4.189975\n4.189975 0.000000 -4.189975\n4.189975 -4.189975 -0.000000\nK Tb Pr Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tb\n0.750000 0.750000 0.750000 Pr\n-0.000000 -0.000000 -0.000000 Sb\n0.763022 0.236978 0.236978 O\n0.236978 0.763022 0.763022 O\n0.763022 0.236978 0.763022 O\n0.236978 0.763022 0.236978 O\n0.763022 0.763022 0.236978 O\n0.236978 0.236978 0.763022 O\n",
"nsites": 10,
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"elements": [
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"Pr",
"Sb",
"O"
],
"chemical_system": "K-O-Pr-Sb-Tb",
"density": 6.283424952884385,
"density_atomic": 0.06797288593630274,
"volume": 147.11748460071243,
"volume_molar": 8.859622005226226,
"formula_full": "K1 Tb1 Pr1 Sb1 O6",
"formula_reduced": "KTbPrSbO6",
"formula_anonymous": "ABCDE6",
"energy": -72.52681418,
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"updated_at": "2021-11-28T01:34:59.135000Z",
"spacegroup": 216
},
{
"id": "mp-1233857",
"created_at": "2022-09-04T14:39:10.419046Z",
"structure_string": "Mg1 Ag14 Pb6 O18\n1.0\n-3.120316 5.302003 6.456388\n3.199218 5.342992 -6.451850\n-6.058427 -0.050308 -6.336214\nMg Ag Pb O\n1 14 6 18\ndirect\n0.475171 0.961311 0.567180 Mg\n0.842960 0.160584 0.680057 Ag\n0.170168 0.322520 0.841748 Ag\n0.700891 0.828356 0.872592 Ag\n0.328774 0.161029 0.167195 Ag\n0.104132 0.920674 0.940566 Ag\n0.255842 0.718035 0.786609 Ag\n0.419466 0.585895 0.591357 Ag\n0.593985 0.407198 0.416816 Ag\n0.750543 0.233021 0.262546 Ag\n0.909086 0.060900 0.090153 Ag\n0.003122 0.488133 0.516397 Ag\n0.832082 0.642992 0.194219 Ag\n0.157780 0.820056 0.345462 Ag\n0.497902 0.491412 0.007334 Ag\n0.503181 0.162525 0.835208 Pb\n0.834138 0.490406 0.846623 Pb\n0.172722 0.160219 0.504109 Pb\n0.842368 0.827583 0.524037 Pb\n0.166553 0.486898 0.180955 Pb\n0.503797 0.827124 0.195797 Pb\n0.774080 0.219632 0.864193 O\n0.562621 0.431662 0.817959 O\n0.902769 0.098686 0.492113 O\n0.233732 0.140538 0.776054 O\n0.877821 0.761644 0.797855 O\n0.481562 0.910215 0.806525 O\n0.103313 0.502429 0.906382 O\n0.441112 0.176342 0.547093 O\n0.816060 0.555363 0.572995 O\n0.518007 0.109795 0.103857 O\n0.191056 0.425915 0.456060 O\n0.895842 0.463991 0.122462 O\n0.564256 0.833896 0.477119 O\n0.140409 0.217158 0.231904 O\n0.788391 0.837544 0.257222 O\n0.430994 0.541413 0.198503 O\n0.121643 0.892710 0.538419 O\n0.215380 0.750489 0.163740 O\n",
"nsites": 39,
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"elements": [
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"Ag",
"Pb",
"O"
],
"chemical_system": "Ag-Mg-O-Pb",
"density": 8.089024660241288,
"density_atomic": 0.061971104981190614,
"volume": 629.325554415033,
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"formula_full": "Mg1 Ag14 Pb6 O18",
"formula_reduced": "MgAg14(PbO3)6",
"formula_anonymous": "AB6C14D18",
"energy": -186.78873968,
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"updated_at": "2021-11-28T01:34:32Z",
"spacegroup": 1
},
{
"id": "mp-42264",
"created_at": "2022-09-04T14:39:33.442690Z",
"structure_string": "K8 Mn4 H16 Cl16 O8\n1.0\n6.201770 -0.020130 -2.565862\n2.764441 5.551617 2.565895\n6.820839 -11.056101 16.572463\nK Mn H Cl O\n8 4 16 16 8\ndirect\n0.999914 0.500047 0.625008 K\n0.999932 0.500092 0.125019 K\n0.499909 0.000106 0.875032 K\n0.499855 0.000011 0.374991 K\n0.000074 0.500096 0.374984 K\n0.999877 0.500014 0.875030 K\n0.499934 0.000057 0.625005 K\n0.499828 0.000112 0.125007 K\n0.000192 0.999815 0.499838 Mn\n0.500004 0.499981 0.750004 Mn\n0.999919 0.000050 0.999990 Mn\n0.500528 0.499791 0.250008 Mn\n0.738113 0.411826 0.499997 H\n0.738199 0.411723 0.000004 H\n0.238053 0.911894 0.750010 H\n0.238263 0.911653 0.250009 H\n0.336755 0.663231 0.537521 H\n0.336726 0.663255 0.037510 H\n0.836704 0.163274 0.787512 H\n0.836981 0.163021 0.287547 H\n0.336789 0.663200 0.462492 H\n0.336899 0.663077 0.962474 H\n0.836702 0.163279 0.712494 H\n0.836927 0.163074 0.212489 H\n0.588186 0.261871 0.499997 H\n0.588249 0.261799 0.000003 H\n0.088091 0.761930 0.750011 H\n0.088439 0.761669 0.250009 H\n0.491707 0.508318 0.371809 Cl\n0.491573 0.508408 0.871789 Cl\n0.991628 0.008355 0.621803 Cl\n0.991587 0.008377 0.121740 Cl\n0.764844 0.748166 0.500007 Cl\n0.764834 0.748131 0.999968 Cl\n0.264804 0.248181 0.750021 Cl\n0.264979 0.248207 0.250021 Cl\n0.251823 0.235142 0.500006 Cl\n0.251822 0.235118 0.999969 Cl\n0.751807 0.735173 0.750021 Cl\n0.751915 0.735174 0.250021 Cl\n0.491595 0.508392 0.628222 Cl\n0.491705 0.508337 0.128209 Cl\n0.991646 0.008322 0.878150 Cl\n0.991571 0.008402 0.378218 Cl\n0.266135 0.733851 0.499997 O\n0.266202 0.733792 0.999975 O\n0.766044 0.233937 0.750009 O\n0.766370 0.233626 0.250021 O\n0.733781 0.266215 0.500017 O\n0.733859 0.266111 0.999978 O\n0.233686 0.766299 0.750013 O\n0.234037 0.766019 0.250022 O\n",
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],
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"formula_full": "K8 Mn4 H16 Cl16 O8",
"formula_reduced": "K2MnH4(Cl2O)2",
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"updated_at": "2021-11-28T01:34:39.048000Z",
"spacegroup": 121
},
{
"id": "mp-571246",
"created_at": "2022-09-04T14:40:17.105777Z",
"structure_string": "Ge8 Br32\n1.0\n12.073757 0.000000 0.000000\n0.000000 12.073757 0.000000\n0.000000 0.000000 12.073757\nGe Br\n8 32\ndirect\n0.868472 0.631528 0.368472 Ge\n0.131528 0.368472 0.631528 Ge\n0.368472 0.868472 0.631528 Ge\n0.631528 0.368472 0.868472 Ge\n0.631528 0.131528 0.368472 Ge\n0.368472 0.631528 0.131528 Ge\n0.131528 0.131528 0.131528 Ge\n0.868472 0.868472 0.868472 Ge\n0.485761 0.757998 0.528502 Br\n0.242002 0.028502 0.014239 Br\n0.757998 0.528502 0.485761 Br\n0.242002 0.471498 0.514239 Br\n0.471498 0.985761 0.742002 Br\n0.014239 0.242002 0.028502 Br\n0.514239 0.242002 0.471498 Br\n0.742002 0.471498 0.985761 Br\n0.258332 0.758332 0.741668 Br\n0.028502 0.485761 0.742002 Br\n0.528502 0.485761 0.757998 Br\n0.971498 0.985761 0.757998 Br\n0.758332 0.758332 0.758332 Br\n0.971498 0.514239 0.257998 Br\n0.241668 0.241668 0.241668 Br\n0.528502 0.014239 0.257998 Br\n0.985761 0.742002 0.471498 Br\n0.028502 0.014239 0.242002 Br\n0.741668 0.258332 0.758332 Br\n0.514239 0.257998 0.971498 Br\n0.758332 0.741668 0.258332 Br\n0.257998 0.971498 0.514239 Br\n0.742002 0.028502 0.485761 Br\n0.741668 0.241668 0.258332 Br\n0.985761 0.757998 0.971498 Br\n0.257998 0.528502 0.014239 Br\n0.757998 0.971498 0.985761 Br\n0.471498 0.514239 0.242002 Br\n0.241668 0.258332 0.741668 Br\n0.258332 0.741668 0.241668 Br\n0.485761 0.742002 0.028502 Br\n0.014239 0.257998 0.528502 Br\n",
"nsites": 40,
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"elements": [
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],
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"density": 2.960611264422317,
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"volume": 1760.059268666855,
"volume_molar": 26.498311654636144,
"formula_full": "Ge8 Br32",
"formula_reduced": "GeBr4",
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"spacegroup": 205
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{
"id": "mp-23879",
"created_at": "2022-09-04T14:39:16.973822Z",
"structure_string": "Ca1 H2 O2\n1.0\n1.809817 -3.134695 0.000000\n1.809817 3.134695 0.000000\n0.000000 0.000000 4.933917\nCa H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.569104 H\n0.333333 0.666667 0.430896 H\n0.666667 0.333333 0.766551 O\n0.333333 0.666667 0.233449 O\n",
"nsites": 5,
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"volume": 55.98243564520848,
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"formula_full": "Ca1 H2 O2",
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"spacegroup": 164
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{
"id": "mp-1106359",
"created_at": "2022-09-04T14:40:33.042289Z",
"structure_string": "Li10 Cl6 O2\n1.0\n-3.522245 3.522245 5.907831\n3.522245 -3.522245 5.907831\n3.522245 3.522245 -5.907831\nLi Cl O\n10 6 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.802215 0.302215 0.785228 Li\n0.516988 0.016988 0.214772 Li\n0.302215 0.516988 0.500000 Li\n0.016988 0.802215 0.500000 Li\n0.197785 0.697785 0.214772 Li\n0.483012 0.983012 0.785228 Li\n0.697785 0.483012 0.500000 Li\n0.983012 0.197785 0.500000 Li\n0.750000 0.750000 0.000000 Cl\n0.250000 0.250000 0.000000 Cl\n0.208526 0.708526 0.917053 Cl\n0.791474 0.291474 0.082947 Cl\n0.708526 0.791474 0.500000 Cl\n0.291474 0.208526 0.500000 Cl\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
"nsites": 18,
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"elements": [
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"formula_full": "Li10 Cl6 O2",
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]
}