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{
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},
{
"id": "mp-22993",
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"structure_string": "Ag1 Cl1 O4\n1.0\n-2.502987 2.502987 3.533556\n2.502987 -2.502987 3.533556\n2.502987 2.502987 -3.533556\nAg Cl O\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Cl\n0.954768 0.954768 0.664573 O\n0.290195 0.290195 0.335427 O\n0.709805 0.045232 0.000000 O\n0.045232 0.709805 0.000000 O\n",
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{
"id": "mp-1222584",
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"structure_string": "Li6 Ag4\n1.0\n3.341029 0.000000 0.000000\n0.000000 3.341029 0.000000\n0.000000 0.000000 14.920326\nLi Ag\n6 4\ndirect\n0.500000 0.500000 0.107615 Li\n0.500000 0.500000 0.300148 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.699852 Li\n0.500000 0.500000 0.892385 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.201057 Ag\n0.000000 0.000000 0.400374 Ag\n0.000000 0.000000 0.599626 Ag\n0.000000 0.000000 0.798943 Ag\n",
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{
"id": "mp-1026734",
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"structure_string": "Mg14 Sn1 C1\n1.0\n3.583255 -5.208111 0.000000\n3.583255 5.208111 0.000000\n0.000000 0.000000 9.906013\nMg Sn C\n14 1 1\ndirect\n0.859612 0.140388 0.000000 Mg\n0.358585 0.641415 0.000000 Mg\n0.424626 0.162460 0.500000 Mg\n0.342069 0.127250 0.000000 Mg\n0.837540 0.575374 0.500000 Mg\n0.872750 0.657931 0.000000 Mg\n0.177551 0.351336 0.253296 Mg\n0.177551 0.351336 0.746704 Mg\n0.648664 0.822449 0.253296 Mg\n0.648664 0.822449 0.746704 Mg\n0.670611 0.329389 0.236025 Mg\n0.670611 0.329389 0.763975 Mg\n0.159486 0.840514 0.280661 Mg\n0.159486 0.840514 0.719339 Mg\n0.886064 0.113936 0.500000 Sn\n0.106131 0.893869 0.500000 C\n",
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"formula_full": "Mg14 Sn1 C1",
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{
"id": "mp-1219037",
"created_at": "2022-09-04T14:42:20.416663Z",
"structure_string": "Sm2 Ga2 Co2\n1.0\n2.078606 5.036872 0.000000\n-2.078606 5.036872 0.000000\n0.000000 4.453431 5.440587\nSm Ga Co\n2 2 2\ndirect\n0.437915 0.437915 0.810478 Sm\n0.562085 0.562085 0.189522 Sm\n0.814167 0.814167 0.597677 Ga\n0.185833 0.185833 0.402323 Ga\n0.138766 0.138766 0.811170 Co\n0.861234 0.861234 0.188830 Co\n",
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{
"id": "mp-690979",
"created_at": "2022-09-04T14:42:20.435510Z",
"structure_string": "Li18 Nd12 Sb6 Te2 O48\n1.0\n10.518891 0.066611 -3.764862\n-5.181158 9.093778 -3.706165\n-0.067610 -0.045395 11.101499\nLi Nd Sb Te O\n18 12 6 2 48\ndirect\n0.160322 0.871119 0.881974 Li\n0.129256 0.870834 0.248323 Li\n0.293125 0.643329 0.393089 Li\n0.274802 0.136270 0.880301 Li\n0.380777 0.632206 0.757814 Li\n0.374380 0.249574 0.626038 Li\n0.622043 0.749127 0.371984 Li\n0.605053 0.388216 0.255689 Li\n0.746390 0.851632 0.147274 Li\n0.736198 0.368868 0.611325 Li\n0.990434 0.605679 0.787334 Li\n0.835965 0.129395 0.702648 Li\n0.741900 0.309129 0.208569 Li\n0.041373 0.092878 0.797297 Li\n0.788606 0.029658 0.105205 Li\n0.878960 0.251494 0.127666 Li\n0.075584 0.460941 0.261108 Li\n0.892048 0.182593 0.929476 Li\n0.255060 0.881586 0.622005 Nd\n0.139060 0.375513 0.751575 Nd\n0.133372 0.242532 0.377113 Nd\n0.383827 0.756023 0.124318 Nd\n0.266011 0.376208 0.129314 Nd\n0.614318 0.862773 0.735498 Nd\n0.382142 0.124659 0.261187 Nd\n0.609033 0.241980 0.867570 Nd\n0.735282 0.618886 0.867675 Nd\n0.852765 0.736753 0.607003 Nd\n0.871336 0.634192 0.249871 Nd\n0.746009 0.116765 0.384569 Nd\n0.003926 0.999048 0.497971 Sb\n0.995264 0.991175 0.997224 Sb\n0.492311 0.494624 0.499616 Sb\n0.496531 0.999803 0.500498 Sb\n0.500349 0.495991 0.000246 Sb\n0.502092 0.002256 0.004177 Sb\n0.006296 0.503817 0.505433 Te\n0.001822 0.497113 0.997721 Te\n0.092811 0.974650 0.677850 O\n0.012843 0.317657 0.894923 O\n0.126213 0.588681 0.932397 O\n0.065468 0.687225 0.672677 O\n0.079326 0.877876 0.405690 O\n0.099016 0.616027 0.427235 O\n0.171084 0.478785 0.596818 O\n0.432139 0.835956 0.807511 O\n0.385158 0.579723 0.908594 O\n0.299951 0.324227 0.917397 O\n0.328673 0.913256 0.298156 O\n0.007749 0.187222 0.113052 O\n0.173321 0.197799 0.578766 O\n0.178489 0.553623 0.173710 O\n0.412718 0.832690 0.533097 O\n0.335681 0.914945 0.032248 O\n0.289179 0.465936 0.376593 O\n0.124953 0.025149 0.194105 O\n0.524162 0.616884 0.698789 O\n0.411558 0.078698 0.879165 O\n0.528896 0.404375 0.828380 O\n0.379847 0.297879 0.475408 O\n0.585672 0.911991 0.387831 O\n0.176293 0.109099 0.996473 O\n0.801076 0.877664 0.978331 O\n0.412589 0.088714 0.616325 O\n0.607486 0.691587 0.519007 O\n0.471480 0.589544 0.171505 O\n0.608245 0.929529 0.127005 O\n0.460021 0.372889 0.298304 O\n0.873658 0.986369 0.805569 O\n0.695362 0.523835 0.612660 O\n0.687965 0.112502 0.004731 O\n0.591722 0.171083 0.476728 O\n0.825015 0.439693 0.824695 O\n0.828037 0.801444 0.417627 O\n0.967939 0.795356 0.865891 O\n0.668220 0.086645 0.709892 O\n0.621162 0.414704 0.098071 O\n0.700253 0.661488 0.078952 O\n0.585071 0.179385 0.206710 O\n0.829583 0.512776 0.394034 O\n0.909012 0.387636 0.577251 O\n0.932680 0.120673 0.602415 O\n0.931481 0.319558 0.323997 O\n0.884345 0.387967 0.064078 O\n0.978892 0.661942 0.097562 O\n0.906378 0.030420 0.325801 O\n",
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"formula_full": "Li18 Nd12 Sb6 Te2 O48",
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{
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"structure_string": "Li4 Co4 P4 O16\n1.0\n0.000006 -0.000092 5.053912\n10.221782 0.000048 0.000013\n0.000032 6.836583 -0.000121\nLi Co P O\n4 4 4 16\ndirect\n0.244499 0.149534 0.501753 Li\n0.744501 0.350468 0.001755 Li\n0.244456 0.649469 0.998282 Li\n0.744456 0.850530 0.498282 Li\n0.246050 0.660431 0.495365 Co\n0.746052 0.839569 0.995365 Co\n0.246072 0.160471 0.004631 Co\n0.746065 0.339531 0.504631 Co\n0.750170 0.097041 0.756586 P\n0.250164 0.402961 0.256583 P\n0.750118 0.596921 0.743412 P\n0.250119 0.903076 0.243409 P\n0.190573 0.052322 0.243167 O\n0.690573 0.447676 0.743163 O\n0.190696 0.552279 0.256851 O\n0.690705 0.947724 0.756849 O\n0.053841 0.123108 0.756969 O\n0.553838 0.376897 0.256962 O\n0.053846 0.622970 0.743002 O\n0.553846 0.877022 0.242999 O\n0.629746 0.157159 0.567494 O\n0.129750 0.342842 0.067489 O\n0.629790 0.657136 0.932516 O\n0.129793 0.842866 0.432518 O\n0.630939 0.164278 0.940990 O\n0.130935 0.335721 0.440989 O\n0.630901 0.664235 0.558997 O\n0.130907 0.835765 0.058991 O\n",
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{
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"structure_string": "Li1 Yb2 Hg1\n1.0\n0.000000 3.790490 3.790490\n3.790490 0.000000 3.790490\n3.790490 3.790490 0.000000\nLi Yb Hg\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Yb\n0.250000 0.250000 0.250000 Yb\n0.000000 0.000000 0.000000 Hg\n",
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"structure_string": "Mg4 Sn2\n1.0\n1.654254 -2.865253 0.000000\n1.654254 2.865253 0.000000\n0.000000 0.000000 15.260434\nMg Sn\n4 2\ndirect\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.833948 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.166052 Mg\n0.666667 0.333333 0.666710 Sn\n0.666667 0.333333 0.333290 Sn\n",
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"formula_full": "Mg4 Sn2",
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"updated_at": "2021-11-28T01:35:48.321000Z",
"spacegroup": 187
},
{
"id": "mp-1202186",
"created_at": "2022-09-04T14:42:21.049804Z",
"structure_string": "Be12 Si4 O24\n1.0\n4.694682 0.000000 0.000000\n0.000000 5.266738 0.000000\n0.000000 4.970718 16.647706\nBe Si O\n12 4 24\ndirect\n0.097734 0.047599 0.617072 Be\n0.597734 0.952401 0.882928 Be\n0.902266 0.952401 0.382928 Be\n0.402266 0.047599 0.117072 Be\n0.409475 0.692066 0.460235 Be\n0.909475 0.307934 0.039765 Be\n0.590525 0.307934 0.539765 Be\n0.090525 0.692066 0.960235 Be\n0.582717 0.502200 0.796174 Be\n0.082717 0.497800 0.703826 Be\n0.417283 0.497800 0.203826 Be\n0.917283 0.502200 0.296174 Be\n0.083581 0.262295 0.876551 Si\n0.583581 0.737705 0.623449 Si\n0.916419 0.737705 0.123449 Si\n0.416419 0.262295 0.376551 Si\n0.925332 0.759298 0.643371 O\n0.425332 0.240702 0.856629 O\n0.074668 0.240702 0.356629 O\n0.574668 0.759298 0.143371 O\n0.925700 0.434101 0.792287 O\n0.425700 0.565899 0.707713 O\n0.074300 0.565899 0.207713 O\n0.574300 0.434101 0.292287 O\n0.433832 0.033954 0.594573 O\n0.933832 0.966046 0.905427 O\n0.566168 0.966046 0.405427 O\n0.066168 0.033954 0.094573 O\n0.514072 0.591654 0.554941 O\n0.014072 0.408346 0.945059 O\n0.485928 0.408346 0.445059 O\n0.985928 0.591654 0.054941 O\n0.922692 0.248838 0.549350 O\n0.422692 0.751162 0.950650 O\n0.077308 0.751162 0.450650 O\n0.577308 0.248838 0.049350 O\n0.056207 0.232676 0.674534 O\n0.556207 0.767324 0.825466 O\n0.943793 0.767324 0.325466 O\n0.443793 0.232676 0.174534 O\n",
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"updated_at": "2021-11-28T01:35:50.318000Z",
"spacegroup": 14
},
{
"id": "mp-1076132",
"created_at": "2022-09-04T14:42:21.094889Z",
"structure_string": "Ca7 Mg1 Co7 Cu1 O24\n1.0\n5.342766 -5.339172 0.000000\n5.342766 5.339172 0.000000\n0.007186 0.000000 7.553268\nCa Mg Co Cu O\n7 1 7 1 24\ndirect\n0.249004 0.249004 0.751141 Ca\n0.750966 0.248933 0.750966 Ca\n0.751141 0.249004 0.249004 Ca\n0.248933 0.750966 0.750966 Ca\n0.750957 0.750957 0.750957 Ca\n0.249004 0.751141 0.249004 Ca\n0.750966 0.750966 0.248933 Ca\n0.248922 0.248922 0.248922 Mg\n0.499604 0.000444 0.000444 Co\n0.000444 0.000444 0.499604 Co\n0.499618 0.000175 0.499618 Co\n0.000444 0.499604 0.000444 Co\n0.499618 0.499618 0.000175 Co\n0.000175 0.499618 0.499618 Co\n0.499326 0.499326 0.499326 Co\n0.000231 0.000231 0.000231 Cu\n0.001878 0.253373 0.001878 O\n0.498355 0.251357 0.001830 O\n0.001830 0.251357 0.498355 O\n0.498380 0.249279 0.498380 O\n0.000218 0.746402 0.000218 O\n0.499785 0.748638 0.000160 O\n0.000160 0.748638 0.499785 O\n0.499769 0.750854 0.499769 O\n0.000218 0.000218 0.746402 O\n0.499785 0.000160 0.748638 O\n0.001878 0.001878 0.253373 O\n0.498355 0.001830 0.251357 O\n0.000160 0.499785 0.748638 O\n0.499769 0.499769 0.750854 O\n0.001830 0.498355 0.251357 O\n0.498380 0.498380 0.249279 O\n0.253373 0.001878 0.001878 O\n0.746402 0.000218 0.000218 O\n0.251357 0.001830 0.498355 O\n0.748638 0.000160 0.499785 O\n0.251357 0.498355 0.001830 O\n0.748638 0.499785 0.000160 O\n0.249279 0.498380 0.498380 O\n0.750854 0.499769 0.499769 O\n",
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"density": 4.488883833679997,
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"volume": 430.9282396964272,
"volume_molar": 6.487776292277261,
"formula_full": "Ca7 Mg1 Co7 Cu1 O24",
"formula_reduced": "Ca7MgCo7CuO24",
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"energy": -261.52240482,
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"updated_at": "2021-11-28T01:35:47.299000Z",
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}
]
}