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{
"id": "mp-761404",
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"structure_string": "Co10 Cu2 O16\n1.0\n0.000070 4.081621 4.076719\n8.210162 -4.145448 4.141480\n4.076692 0.003757 -4.079740\nCo Cu O\n10 2 16\ndirect\n0.501583 0.499424 0.001712 Co\n0.001140 0.998935 0.998342 Co\n0.624744 0.128182 0.250836 Co\n0.126762 0.628113 0.249926 Co\n0.560753 0.813204 0.123142 Co\n0.064008 0.312394 0.125609 Co\n0.059508 0.812875 0.622792 Co\n0.564268 0.312196 0.626342 Co\n0.064596 0.311829 0.626441 Co\n0.560385 0.813217 0.623241 Co\n0.813796 0.562493 0.625952 Cu\n0.311952 0.062412 0.625880 Cu\n0.691875 0.919150 0.386099 O\n0.195324 0.418545 0.388428 O\n0.428386 0.707830 0.859419 O\n0.931427 0.205955 0.863346 O\n0.915829 0.700261 0.378785 O\n0.420760 0.198073 0.382853 O\n0.203098 0.925357 0.410418 O\n0.708918 0.423433 0.415097 O\n0.204070 0.924023 0.869225 O\n0.708664 0.423755 0.870745 O\n0.660879 0.925801 0.867522 O\n0.163274 0.424105 0.869749 O\n0.965138 0.199561 0.382266 O\n0.461922 0.698401 0.380888 O\n0.420643 0.199824 0.838774 O\n0.916298 0.700652 0.836171 O\n",
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{
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"spacegroup": 225
},
{
"id": "mp-1095987",
"created_at": "2022-09-04T14:39:09.914271Z",
"structure_string": "Cr1 Mo1 W2\n1.0\n-4.814924 5.364633 7.594637\n4.814924 -5.364633 7.594637\n4.814924 5.364633 -7.594637\nCr Mo W\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Mo\n0.000000 0.269217 0.269217 W\n0.000000 0.730783 0.730783 W\n",
"nsites": 4,
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"elements": [
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"volume": 784.6870139603934,
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"formula_full": "Cr1 Mo1 W2",
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{
"id": "mp-1226066",
"created_at": "2022-09-04T14:39:08.460499Z",
"structure_string": "Dy4 Th4 Fe56 B4\n1.0\n8.748964 0.000000 0.000000\n0.000000 8.748964 0.000000\n0.000000 0.000000 11.971761\nDy Th Fe B\n4 4 56 4\ndirect\n0.229421 0.770579 0.500000 Dy\n0.770579 0.229421 0.500000 Dy\n0.270579 0.270579 0.000000 Dy\n0.729421 0.729421 0.000000 Dy\n0.644068 0.644068 0.500000 Th\n0.355932 0.355932 0.500000 Th\n0.855932 0.144068 0.000000 Th\n0.144068 0.855932 0.000000 Th\n0.183421 0.816579 0.255318 Fe\n0.816579 0.183421 0.255318 Fe\n0.316579 0.316579 0.755318 Fe\n0.683421 0.683421 0.755318 Fe\n0.816579 0.183421 0.744682 Fe\n0.183421 0.816579 0.744682 Fe\n0.683421 0.683421 0.244682 Fe\n0.316579 0.316579 0.244682 Fe\n0.934809 0.724898 0.373105 Fe\n0.065191 0.275102 0.373105 Fe\n0.565191 0.224898 0.873105 Fe\n0.434809 0.775102 0.873105 Fe\n0.065191 0.275102 0.626895 Fe\n0.934809 0.724898 0.626895 Fe\n0.434809 0.775102 0.126895 Fe\n0.565191 0.224898 0.126895 Fe\n0.724898 0.934809 0.373105 Fe\n0.275102 0.065191 0.373105 Fe\n0.224898 0.565191 0.873105 Fe\n0.775102 0.434809 0.873105 Fe\n0.275102 0.065191 0.626895 Fe\n0.724898 0.934809 0.626895 Fe\n0.775102 0.434809 0.126895 Fe\n0.224898 0.565191 0.126895 Fe\n0.500000 0.500000 0.115102 Fe\n0.000000 0.000000 0.615102 Fe\n0.500000 0.500000 0.884898 Fe\n0.000000 0.000000 0.384898 Fe\n0.140765 0.537585 0.324960 Fe\n0.859235 0.462415 0.324960 Fe\n0.359235 0.037585 0.824960 Fe\n0.640765 0.962415 0.824960 Fe\n0.859235 0.462415 0.675040 Fe\n0.140765 0.537585 0.675040 Fe\n0.640765 0.962415 0.175040 Fe\n0.359235 0.037585 0.175040 Fe\n0.537585 0.140765 0.324960 Fe\n0.462415 0.859235 0.324960 Fe\n0.037585 0.359235 0.824960 Fe\n0.962415 0.640765 0.824960 Fe\n0.462415 0.859235 0.675040 Fe\n0.537585 0.140765 0.675040 Fe\n0.962415 0.640765 0.175040 Fe\n0.037585 0.359235 0.175040 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.402054 0.597946 0.297955 Fe\n0.597946 0.402054 0.297955 Fe\n0.097946 0.097946 0.797955 Fe\n0.902054 0.902054 0.797955 Fe\n0.597946 0.402054 0.702045 Fe\n0.402054 0.597946 0.702045 Fe\n0.902054 0.902054 0.202045 Fe\n0.097946 0.097946 0.202045 Fe\n0.877187 0.877187 0.500000 B\n0.122813 0.122813 0.500000 B\n0.622813 0.377187 0.000000 B\n0.377187 0.622813 0.000000 B\n",
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"chemical_system": "B-Dy-Fe-Th",
"density": 8.605062307986339,
"density_atomic": 0.07420575968109906,
"volume": 916.3709163848135,
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"formula_full": "Dy4 Th4 Fe56 B4",
"formula_reduced": "DyThFe14B",
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{
"id": "mp-1188052",
"created_at": "2022-09-04T14:39:06.674526Z",
"structure_string": "Zr1 Ga1 Co2\n1.0\n0.000000 3.039806 3.039806\n3.039806 0.000000 3.039806\n3.039806 3.039806 0.000000\nZr Ga Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Ga\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n",
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],
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"density": 8.241288641484601,
"density_atomic": 0.07120203267132984,
"volume": 56.17817146406604,
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"formula_full": "Zr1 Ga1 Co2",
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{
"id": "mp-768459",
"created_at": "2022-09-04T14:39:08.471050Z",
"structure_string": "Ti8 S12 O48\n1.0\n8.713690 0.000000 0.000000\n0.000000 8.669752 0.000000\n0.000000 8.565744 12.046249\nTi S O\n8 12 48\ndirect\n0.462429 0.630121 0.618210 Ti\n0.962429 0.369879 0.881790 Ti\n0.538168 0.134385 0.116523 Ti\n0.038168 0.865615 0.383477 Ti\n0.961832 0.134385 0.616523 Ti\n0.461832 0.865615 0.883477 Ti\n0.037571 0.630121 0.118210 Ti\n0.537571 0.369879 0.381790 Ti\n0.752473 0.539522 0.496093 S\n0.612928 0.249784 0.851469 S\n0.892111 0.957506 0.145902 S\n0.112928 0.750216 0.648531 S\n0.392111 0.042494 0.354098 S\n0.252473 0.460478 0.003907 S\n0.747527 0.539522 0.996093 S\n0.607889 0.957506 0.645902 S\n0.887072 0.249784 0.351469 S\n0.107889 0.042494 0.854098 S\n0.387072 0.750216 0.148531 S\n0.247527 0.460478 0.503907 S\n0.138658 0.618130 0.434170 O\n0.110665 0.208157 0.859520 O\n0.315305 0.477735 0.590068 O\n0.414930 0.900990 0.164734 O\n0.633212 0.531317 0.569018 O\n0.775922 0.308474 0.822655 O\n0.582730 0.177040 0.968396 O\n0.005314 0.923240 0.230315 O\n0.736623 0.982556 0.176605 O\n0.833551 0.722781 0.439863 O\n0.938262 0.130607 0.037890 O\n0.507774 0.410643 0.779652 O\n0.007774 0.589357 0.720348 O\n0.438262 0.869393 0.462110 O\n0.333551 0.277219 0.060137 O\n0.236623 0.017444 0.323395 O\n0.082730 0.822960 0.531604 O\n0.505314 0.076760 0.269685 O\n0.275922 0.691526 0.677345 O\n0.133212 0.468683 0.930982 O\n0.815305 0.522265 0.909932 O\n0.610665 0.791843 0.640480 O\n0.914930 0.099010 0.335266 O\n0.638658 0.381870 0.065830 O\n0.361342 0.618130 0.934170 O\n0.085070 0.900990 0.664734 O\n0.389335 0.208157 0.359520 O\n0.184695 0.477735 0.090068 O\n0.866788 0.531317 0.069018 O\n0.724078 0.308474 0.322655 O\n0.494686 0.923240 0.730315 O\n0.917270 0.177040 0.468396 O\n0.763377 0.982556 0.676605 O\n0.666449 0.722781 0.939863 O\n0.561738 0.130607 0.537890 O\n0.992226 0.410643 0.279652 O\n0.492226 0.589357 0.220348 O\n0.061738 0.869393 0.962110 O\n0.166449 0.277219 0.560137 O\n0.263377 0.017444 0.823395 O\n0.994686 0.076760 0.769685 O\n0.417270 0.822960 0.031604 O\n0.224078 0.691526 0.177345 O\n0.366788 0.468683 0.430982 O\n0.585070 0.099010 0.835266 O\n0.684695 0.522265 0.409932 O\n0.889335 0.791843 0.140480 O\n0.861342 0.381870 0.565830 O\n",
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{
"id": "mp-5792",
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"structure_string": "Ba2 Cu2 Sn4\n1.0\n2.431548 -9.810407 0.000000\n2.431548 9.810407 0.000000\n0.000000 0.000000 4.691833\nBa Cu Sn\n2 2 4\ndirect\n0.391907 0.608093 0.250000 Ba\n0.608093 0.391907 0.750000 Ba\n0.820873 0.179127 0.750000 Cu\n0.179127 0.820873 0.250000 Cu\n0.043340 0.956660 0.250000 Sn\n0.956660 0.043340 0.750000 Sn\n0.250059 0.749941 0.750000 Sn\n0.749941 0.250059 0.250000 Sn\n",
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"formula_full": "Ba2 Cu2 Sn4",
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{
"id": "mp-1333085",
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"structure_string": "Sr2 Mg2 Co2 P4 O16\n1.0\n5.543862 0.000000 0.000000\n-1.006126 6.882315 0.000000\n-1.911851 -3.632605 8.428751\nSr Mg Co P O\n2 2 2 4 16\ndirect\n0.200050 0.750818 0.051777 Sr\n0.799950 0.249182 0.948223 Sr\n0.337314 0.732215 0.649841 Mg\n0.662686 0.267785 0.350159 Mg\n0.077196 0.289624 0.558598 Co\n0.922804 0.710376 0.441402 Co\n0.159042 0.188515 0.237346 P\n0.840958 0.811485 0.762654 P\n0.540738 0.721499 0.303582 P\n0.459262 0.278501 0.696418 P\n0.930085 0.664613 0.887409 O\n0.450688 0.263174 0.211337 O\n0.898050 0.036417 0.761159 O\n0.259716 0.420842 0.694259 O\n0.549312 0.736826 0.788663 O\n0.426422 0.170279 0.576092 O\n0.573578 0.829721 0.423908 O\n0.393898 0.129927 0.865957 O\n0.101950 0.963583 0.238841 O\n0.606102 0.870073 0.134043 O\n0.069915 0.335387 0.112591 O\n0.979222 0.194408 0.398325 O\n0.020778 0.805592 0.601675 O\n0.256545 0.583416 0.367858 O\n0.740284 0.579158 0.305741 O\n0.743455 0.416584 0.632142 O\n",
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{
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"created_at": "2022-09-04T14:39:06.682020Z",
"structure_string": "Dy1 Fe5\n1.0\n2.503245 -4.335747 0.000000\n2.503245 4.335747 0.000000\n0.000000 0.000000 3.953059\nDy Fe\n1 5\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Fe\n0.666667 0.333333 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.333333 0.666667 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n",
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{
"id": "mp-1017109",
"created_at": "2022-09-04T14:39:09.677718Z",
"structure_string": "Cs1 Mg6 Nb1\n1.0\n7.183260 0.000000 0.000000\n0.000000 7.183260 0.000000\n0.000000 0.000000 4.150189\nCs Mg Nb\n1 6 1\ndirect\n0.000000 0.000000 0.500000 Cs\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.707029 0.292971 0.000000 Mg\n0.292971 0.707029 0.000000 Mg\n0.707029 0.707029 0.000000 Mg\n0.292971 0.292971 0.000000 Mg\n0.500000 0.500000 0.500000 Nb\n",
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],
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"formula_full": "Cs1 Mg6 Nb1",
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"updated_at": "2021-11-28T01:34:30.032000Z",
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},
{
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"created_at": "2022-09-04T14:39:08.494174Z",
"structure_string": "K8 H4 Ru4 Cl20\n1.0\n7.362611 0.000000 0.000000\n0.000000 9.313602 0.000000\n0.000000 0.000000 13.766686\nK H Ru Cl\n8 4 4 20\ndirect\n0.851467 0.500402 0.851462 K\n0.148533 0.499598 0.148538 K\n0.351467 0.499598 0.648538 K\n0.148533 0.000402 0.148538 K\n0.648533 0.500402 0.351462 K\n0.851467 0.999598 0.851462 K\n0.648533 0.999598 0.351462 K\n0.351467 0.000402 0.648538 K\n0.944126 0.750000 0.509357 H\n0.055874 0.250000 0.490643 H\n0.444126 0.250000 0.990643 H\n0.555874 0.750000 0.009357 H\n0.814982 0.750000 0.602694 Ru\n0.185018 0.250000 0.397306 Ru\n0.314982 0.250000 0.897306 Ru\n0.685018 0.750000 0.102694 Ru\n0.604346 0.750000 0.752901 Cl\n0.395654 0.250000 0.247099 Cl\n0.104346 0.250000 0.747099 Cl\n0.895654 0.750000 0.252901 Cl\n0.823069 0.504057 0.596931 Cl\n0.176931 0.495943 0.403069 Cl\n0.323069 0.495943 0.903069 Cl\n0.176931 0.004057 0.403069 Cl\n0.676931 0.504057 0.096931 Cl\n0.823069 0.995943 0.596931 Cl\n0.676931 0.995943 0.096931 Cl\n0.323069 0.004057 0.903069 Cl\n0.078495 0.750000 0.703369 Cl\n0.921505 0.250000 0.296631 Cl\n0.578495 0.250000 0.796631 Cl\n0.421505 0.750000 0.203369 Cl\n0.554447 0.750000 0.498977 Cl\n0.445553 0.250000 0.501023 Cl\n0.054447 0.250000 0.001023 Cl\n0.945553 0.750000 0.998977 Cl\n",
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{
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"created_at": "2022-09-04T14:39:15.114123Z",
"structure_string": "Tm1 Pa1 Ru2\n1.0\n0.000000 3.407501 3.407501\n3.407501 0.000000 3.407501\n3.407501 3.407501 0.000000\nTm Pa Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Pa\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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"volume": 79.12941801010794,
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"formula_full": "Tm1 Pa1 Ru2",
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"updated_at": "2021-11-28T01:34:30.699000Z",
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}
]
}