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{
"id": "mp-1518979",
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{
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"formula_full": "Mn2 H24 N4 Cl8 O4",
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{
"id": "mp-972112",
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"structure_string": "Sr4 Mg2 U2 O12\n1.0\n5.876014 0.000000 0.000000\n0.000000 5.851471 0.000000\n0.000000 5.806781 8.260353\nSr Mg U O\n4 2 2 12\ndirect\n0.031674 0.261377 0.747793 Sr\n0.531674 0.738623 0.752207 Sr\n0.468326 0.261377 0.247793 Sr\n0.968326 0.738623 0.252207 Sr\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 U\n0.500000 0.000000 0.000000 U\n0.720972 0.259045 0.456089 O\n0.784943 0.679657 0.540166 O\n0.279028 0.740955 0.543911 O\n0.980997 0.832399 0.746952 O\n0.480997 0.167601 0.753048 O\n0.779028 0.259045 0.956089 O\n0.284943 0.320343 0.959834 O\n0.715057 0.679657 0.040166 O\n0.220972 0.740955 0.043911 O\n0.519003 0.832399 0.246952 O\n0.019003 0.167601 0.253048 O\n0.215057 0.320343 0.459834 O\n",
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{
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"created_at": "2022-09-04T14:39:17.379532Z",
"structure_string": "Tm2 Cl6 O24\n1.0\n4.611962 -7.988152 0.000000\n4.611962 7.988152 0.000000\n0.000000 0.000000 5.675829\nTm Cl O\n2 6 24\ndirect\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n0.090667 0.707514 0.250000 Cl\n0.292486 0.383154 0.250000 Cl\n0.616846 0.909333 0.250000 Cl\n0.383154 0.090667 0.750000 Cl\n0.707514 0.616846 0.750000 Cl\n0.909333 0.292486 0.750000 Cl\n0.019954 0.812890 0.250000 O\n0.035888 0.471217 0.750000 O\n0.198176 0.741497 0.041914 O\n0.198176 0.741497 0.458086 O\n0.435329 0.964112 0.750000 O\n0.258503 0.456680 0.458086 O\n0.258503 0.456680 0.041914 O\n0.187110 0.207064 0.250000 O\n0.543320 0.801824 0.041914 O\n0.543320 0.801824 0.458086 O\n0.207064 0.019954 0.750000 O\n0.471217 0.435329 0.250000 O\n0.528783 0.564671 0.750000 O\n0.792936 0.980046 0.250000 O\n0.456680 0.198176 0.541914 O\n0.456680 0.198176 0.958086 O\n0.812890 0.792936 0.750000 O\n0.741497 0.543320 0.958086 O\n0.741497 0.543320 0.541914 O\n0.564671 0.035888 0.250000 O\n0.801824 0.258503 0.958086 O\n0.801824 0.258503 0.541914 O\n0.964112 0.528783 0.250000 O\n0.980046 0.187110 0.750000 O\n",
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"formula_full": "Tm2 Cl6 O24",
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{
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"created_at": "2022-09-04T14:39:15.342777Z",
"structure_string": "Te3\n1.0\n2.256187 -3.907831 0.000000\n2.256187 3.907831 0.000000\n0.000000 0.000000 5.959899\nTe\n3\ndirect\n0.268950 0.000000 0.333333 Te\n0.000000 0.268950 0.666667 Te\n0.731050 0.731050 0.000000 Te\n",
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{
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"created_at": "2022-09-04T14:39:25.515847Z",
"structure_string": "Sr4 Si8\n1.0\n6.563799 0.000000 0.000000\n0.000000 6.563799 0.000000\n0.000000 0.000000 6.563799\nSr Si\n4 8\ndirect\n0.625000 0.375000 0.875000 Sr\n0.375000 0.875000 0.625000 Sr\n0.875000 0.625000 0.375000 Sr\n0.125000 0.125000 0.125000 Sr\n0.827907 0.827907 0.827907 Si\n0.577907 0.922093 0.077907 Si\n0.922093 0.077907 0.577907 Si\n0.077907 0.577907 0.922093 Si\n0.422093 0.422093 0.422093 Si\n0.172093 0.327907 0.672093 Si\n0.672093 0.172093 0.327907 Si\n0.327907 0.672093 0.172093 Si\n",
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{
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"structure_string": "Na1 Ca1 Tb1 W1 O6\n1.0\n0.000000 -4.163277 -4.163277\n4.163277 0.000000 -4.163277\n4.163277 -4.163277 0.000000\nNa Ca Tb W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Ca\n-0.000000 -0.000000 -0.000000 Tb\n0.500000 0.500000 0.500000 W\n0.733187 0.266813 0.266813 O\n0.266813 0.733187 0.733187 O\n0.733187 0.266813 0.733187 O\n0.266813 0.733187 0.266813 O\n0.733187 0.733187 0.266813 O\n0.266813 0.266813 0.733187 O\n",
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{
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"structure_string": "Cd2 In2 Ga2 S8\n1.0\n1.956869 -3.389396 0.000000\n1.956869 3.389396 0.000000\n0.000000 0.000000 25.361872\nCd In Ga S\n2 2 2 8\ndirect\n0.000000 0.000000 0.246083 Cd\n0.000000 0.000000 0.753917 Cd\n0.666667 0.333333 0.397494 In\n0.333333 0.666667 0.602506 In\n0.666667 0.333333 0.897703 Ga\n0.333333 0.666667 0.102297 Ga\n0.666667 0.333333 0.557469 S\n0.333333 0.666667 0.697082 S\n0.666667 0.333333 0.065584 S\n0.333333 0.666667 0.442531 S\n0.666667 0.333333 0.810380 S\n0.666667 0.333333 0.302918 S\n0.333333 0.666667 0.189620 S\n0.333333 0.666667 0.934416 S\n",
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{
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"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.619331 -0.007962 -1.511079\n-1.388855 6.664851 -2.789557\n-0.538781 -0.175287 10.766138\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.375101 0.656643 0.977368 Sr\n0.787725 0.109896 0.934900 Sr\n0.097852 0.969443 0.190106 Mg\n0.058559 0.426232 0.571012 Zn\n0.897179 0.651803 0.346411 Zn\n0.598935 0.852211 0.539042 Sn\n0.423295 0.241468 0.582390 Sn\n0.274321 0.435278 0.190267 P\n0.811462 0.621809 0.821689 P\n0.703233 0.040210 0.280624 P\n0.173593 0.920121 0.713285 P\n0.964308 0.770875 0.981657 O\n0.555474 0.504226 0.219237 O\n0.680375 0.738798 0.740797 O\n0.970643 0.043393 0.720394 O\n0.610329 0.460788 0.819245 O\n0.058291 0.712774 0.569930 O\n0.755970 0.257807 0.395138 O\n0.298734 0.898901 0.851203 O\n0.203209 0.220478 0.177510 O\n0.726320 0.023287 0.136923 O\n0.124116 0.431825 0.043185 O\n0.201160 0.587429 0.313675 O\n0.983701 0.504755 0.753979 O\n0.443262 0.916057 0.244953 O\n0.917013 0.928275 0.330975 O\n0.389172 0.038181 0.691603 O\n",
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{
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"created_at": "2022-09-04T14:39:16.136168Z",
"structure_string": "Ba8 Pr4 Bi4 O24\n1.0\n8.889738 0.000000 0.000000\n0.000000 8.889738 0.000000\n0.000000 0.000000 8.889738\nBa Pr Bi O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Pr\n0.250000 0.750000 0.750000 Pr\n0.750000 0.250000 0.750000 Pr\n0.750000 0.750000 0.250000 Pr\n0.750000 0.750000 0.750000 Bi\n0.750000 0.250000 0.250000 Bi\n0.250000 0.750000 0.250000 Bi\n0.250000 0.250000 0.750000 Bi\n0.225093 0.277891 0.511633 O\n0.225093 0.722109 0.488367 O\n0.774907 0.277891 0.488367 O\n0.774907 0.722109 0.511633 O\n0.277891 0.511633 0.225093 O\n0.722109 0.488367 0.225093 O\n0.277891 0.488367 0.774907 O\n0.722109 0.511633 0.774907 O\n0.511633 0.225093 0.277891 O\n0.488367 0.225093 0.722109 O\n0.488367 0.774907 0.277891 O\n0.511633 0.774907 0.722109 O\n0.274907 0.222109 0.988367 O\n0.274907 0.777891 0.011633 O\n0.725093 0.222109 0.011633 O\n0.725093 0.777891 0.988367 O\n0.222109 0.988367 0.274907 O\n0.777891 0.011633 0.274907 O\n0.222109 0.011633 0.725093 O\n0.777891 0.988367 0.725093 O\n0.988367 0.274907 0.222109 O\n0.011633 0.274907 0.777891 O\n0.011633 0.725093 0.222109 O\n0.988367 0.725093 0.777891 O\n",
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},
{
"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",
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"nelements": 4,
"elements": [
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],
"chemical_system": "Ag-Mg-O-Pb",
"density": 8.089024660241288,
"density_atomic": 0.061971104981190614,
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"volume_molar": 9.71765916039069,
"formula_full": "Mg1 Ag14 Pb6 O18",
"formula_reduced": "MgAg14(PbO3)6",
"formula_anonymous": "AB6C14D18",
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},
{
"id": "mp-1344248",
"created_at": "2022-09-04T14:39:34.502452Z",
"structure_string": "Ca1 Cr2 P4 O14\n1.0\n-6.349521 0.000000 0.000000\n2.381735 5.976892 0.000000\n-0.106179 -0.811036 -7.076513\nCa Cr P O\n1 2 4 14\ndirect\n0.694421 0.714738 0.378779 Ca\n0.741500 0.129995 0.799709 Cr\n0.254327 0.874418 0.198759 Cr\n0.849476 0.664640 0.880552 P\n0.154064 0.334533 0.114604 P\n0.747482 0.214943 0.383157 P\n0.257744 0.789887 0.616606 P\n0.938545 0.748875 0.088923 O\n0.047694 0.256214 0.917465 O\n0.743392 0.815562 0.803997 O\n0.266319 0.183399 0.182084 O\n0.694296 0.416885 0.868877 O\n0.316155 0.584753 0.139402 O\n0.368785 0.631535 0.541563 O\n0.644865 0.379799 0.455444 O\n0.846112 0.122998 0.539064 O\n0.126374 0.842468 0.452263 O\n0.949964 0.337069 0.252687 O\n0.412287 0.003549 0.737873 O\n0.587843 0.001540 0.256841 O\n0.061532 0.665174 0.756039 O\n",
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"elements": [
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"P",
"O"
],
"chemical_system": "Ca-Cr-O-P",
"density": 3.0418684375654412,
"density_atomic": 0.07819583357558388,
"volume": 268.5565079333985,
"volume_molar": 7.701357584709441,
"formula_full": "Ca1 Cr2 P4 O14",
"formula_reduced": "CaCr2(P2O7)2",
"formula_anonymous": "AB2C4D14",
"energy": -168.49031205,
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"updated_at": "2021-11-28T01:34:43.403000Z",
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}
]
}