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{
"id": "mp-1185174",
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{
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{
"id": "mp-1233989",
"created_at": "2022-09-04T14:41:35.063022Z",
"structure_string": "K8 Mg1 Co2 Mo8 O30\n1.0\n10.676345 0.000649 -0.000175\n-5.337661 9.248175 -0.001672\n0.000021 -0.001912 8.763366\nK Mg Co Mo O\n8 1 2 8 30\ndirect\n0.077683 0.661414 0.156049 K\n0.583647 0.922246 0.156248 K\n0.322309 0.041892 0.846718 K\n0.999541 0.999769 0.059822 K\n0.958464 0.280227 0.846822 K\n0.719925 0.677483 0.846762 K\n0.339210 0.416588 0.156461 K\n0.999682 0.999757 0.515992 K\n0.666215 0.333258 0.352989 Mg\n0.332935 0.666626 0.482881 Co\n0.666609 0.333393 0.710150 Co\n0.008636 0.330939 0.364481 Mo\n0.017521 0.667566 0.636031 Mo\n0.321898 0.991030 0.364271 Mo\n0.666903 0.333120 0.006769 Mo\n0.649423 0.982425 0.635324 Mo\n0.333382 0.666649 0.854496 Mo\n0.668764 0.677869 0.364457 Mo\n0.332477 0.350127 0.635102 Mo\n0.472786 0.814835 0.662973 O\n0.640039 0.497867 0.326899 O\n0.710271 0.982478 0.449046 O\n0.491670 0.662993 0.356570 O\n0.188019 0.514436 0.944850 O\n0.170829 0.508110 0.356229 O\n0.264969 0.011181 0.547647 O\n0.337291 0.829095 0.355846 O\n0.484011 0.297145 0.015351 O\n0.857705 0.487995 0.656996 O\n0.340853 0.526459 0.662927 O\n0.857187 0.359557 0.327939 O\n0.988732 0.253587 0.547628 O\n0.746542 0.734846 0.547604 O\n0.326953 0.812299 0.944847 O\n0.813752 0.515945 0.015566 O\n0.198730 0.979308 0.218521 O\n0.017719 0.727725 0.449440 O\n0.703015 0.186326 0.015423 O\n0.777096 0.987916 0.769887 O\n0.019775 0.219521 0.218310 O\n0.501690 0.142559 0.326963 O\n0.512312 0.370240 0.655847 O\n0.185039 0.658568 0.664001 O\n0.271844 0.289207 0.448773 O\n0.629673 0.142349 0.655825 O\n0.780105 0.800495 0.218375 O\n0.012177 0.790096 0.770368 O\n0.485994 0.673305 0.943771 O\n0.210494 0.222426 0.769687 O\n",
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"formula_full": "K8 Mg1 Co2 Mo8 O30",
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{
"id": "mp-18721",
"created_at": "2022-09-04T14:41:35.099480Z",
"structure_string": "Mn4 P4 O14\n1.0\n4.562723 -0.001379 -0.618539\n-0.933823 5.231125 4.106077\n0.932283 -5.240800 6.888780\nMn P O\n4 4 14\ndirect\n0.500000 0.000000 0.690387 Mn\n0.500000 0.500000 0.809613 Mn\n0.500000 0.500000 0.190387 Mn\n0.500000 0.000000 0.309613 Mn\n0.908294 0.215668 0.000000 P\n0.908294 0.715668 0.500000 P\n0.091706 0.784332 0.000000 P\n0.091706 0.284332 0.500000 P\n0.000000 0.000000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.793510 0.627596 0.000000 O\n0.793510 0.127596 0.500000 O\n0.206490 0.372404 0.000000 O\n0.206490 0.872404 0.500000 O\n0.274112 0.775398 0.853244 O\n0.274112 0.275398 0.353244 O\n0.725888 0.224602 0.853244 O\n0.725888 0.724602 0.353244 O\n0.725888 0.224602 0.146756 O\n0.725888 0.724602 0.646756 O\n0.274112 0.775398 0.146756 O\n0.274112 0.275398 0.646756 O\n",
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{
"id": "mp-777472",
"created_at": "2022-09-04T14:41:35.357865Z",
"structure_string": "Li4 Fe4 F16\n1.0\n4.667218 5.258823 0.000000\n-4.667218 5.258823 0.000000\n0.000000 2.289515 6.769249\nLi Fe F\n4 4 16\ndirect\n0.797106 0.797106 0.857762 Li\n0.818594 0.181406 0.500000 Li\n0.181406 0.818594 0.500000 Li\n0.202894 0.202894 0.142238 Li\n0.730535 0.730535 0.408756 Fe\n0.752913 0.247087 0.000000 Fe\n0.247087 0.752913 0.000000 Fe\n0.269465 0.269465 0.591244 Fe\n0.858619 0.858619 0.540239 F\n0.806292 0.806292 0.135538 F\n0.506227 0.795653 0.886232 F\n0.795653 0.506227 0.886232 F\n0.468036 0.798282 0.474418 F\n0.798282 0.468036 0.474418 F\n0.806744 0.111984 0.796313 F\n0.111984 0.806744 0.796313 F\n0.888016 0.193256 0.203687 F\n0.193256 0.888016 0.203687 F\n0.531964 0.201718 0.525582 F\n0.201718 0.531964 0.525582 F\n0.204347 0.493773 0.113768 F\n0.493773 0.204347 0.113768 F\n0.193708 0.193708 0.864462 F\n0.141381 0.141381 0.459761 F\n",
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{
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{
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"structure_string": "Eu6 Dy2 Sb6\n1.0\n6.748892 4.815243 0.000000\n-6.748892 4.815243 0.000000\n0.000000 4.801142 6.860341\nEu Dy Sb\n6 2 6\ndirect\n0.999816 0.355838 0.498069 Eu\n0.498030 0.498321 0.147204 Eu\n0.645440 0.147097 0.354670 Eu\n0.355838 0.999816 0.998069 Eu\n0.498321 0.498030 0.647204 Eu\n0.147097 0.645440 0.854670 Eu\n0.858577 0.000170 0.999420 Dy\n0.000170 0.858577 0.499420 Dy\n0.638118 0.875536 0.748593 Sb\n0.875536 0.638118 0.248593 Sb\n0.234181 0.115195 0.631333 Sb\n0.756634 0.377045 0.870710 Sb\n0.377045 0.756634 0.370710 Sb\n0.115195 0.234181 0.131333 Sb\n",
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{
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"structure_string": "U1 Mn3\n1.0\n3.815748 0.000000 0.000000\n0.000000 3.815748 0.000000\n0.000000 0.000000 3.815748\nU Mn\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n",
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{
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"created_at": "2022-09-04T14:41:35.232149Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.443884 6.646946 0.000000\n-1.443884 6.646946 0.000000\n0.000000 0.987823 15.247011\nLi Mn Co O\n9 2 5 16\ndirect\n0.687037 0.687037 0.939679 Li\n0.063027 0.063027 0.810763 Li\n0.443163 0.443163 0.685510 Li\n0.310210 0.310210 0.065410 Li\n0.937289 0.937289 0.190514 Li\n0.564775 0.564775 0.314699 Li\n0.809393 0.809393 0.558642 Li\n0.184992 0.184992 0.434971 Li\n0.503695 0.503695 0.500645 Li\n0.003264 0.003264 0.001642 Mn\n0.370938 0.370938 0.872206 Mn\n0.745031 0.745031 0.744882 Co\n0.112402 0.112402 0.619062 Co\n0.891078 0.891078 0.382399 Co\n0.249741 0.249741 0.256434 Co\n0.631924 0.631924 0.127870 Co\n0.529606 0.529606 0.915104 O\n0.901382 0.901382 0.787895 O\n0.270402 0.270402 0.662998 O\n0.157836 0.157836 0.038088 O\n0.777459 0.777459 0.162902 O\n0.397207 0.397207 0.291927 O\n0.657631 0.657631 0.540628 O\n0.022115 0.022115 0.404034 O\n0.843497 0.843497 0.957260 O\n0.219559 0.219559 0.828992 O\n0.598925 0.598925 0.709964 O\n0.473494 0.473494 0.087003 O\n0.098380 0.098380 0.212829 O\n0.717555 0.717555 0.338052 O\n0.981860 0.981860 0.597432 O\n0.345135 0.345135 0.459565 O\n",
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"updated_at": "2021-11-28T01:35:26.523000Z",
"spacegroup": 8
},
{
"id": "mp-21418",
"created_at": "2022-09-04T14:41:35.270249Z",
"structure_string": "Mn1 Sn1 Pt1\n1.0\n0.000000 3.110809 3.110809\n3.110809 0.000000 3.110809\n3.110809 3.110809 0.000000\nMn Sn Pt\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sn\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mn",
"Sn",
"Pt"
],
"chemical_system": "Mn-Pt-Sn",
"density": 10.169742193236802,
"density_atomic": 0.04982774334279595,
"volume": 60.20742258707442,
"volume_molar": 12.08591912053885,
"formula_full": "Mn1 Sn1 Pt1",
"formula_reduced": "MnSnPt",
"formula_anonymous": "ABC",
"energy": -20.24335963,
"energy_per_atom": -6.7477865433333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.24335963,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.5655056,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.464000Z",
"spacegroup": 216
},
{
"id": "mp-753880",
"created_at": "2022-09-04T14:41:35.283538Z",
"structure_string": "Li3 Mn2 Fe2 O8\n1.0\n2.893964 5.070797 0.000000\n-2.893964 5.070797 0.000000\n0.000000 3.492293 4.780529\nLi Mn Fe O\n3 2 2 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.751609 0.751609 0.229153 O\n0.242586 0.783595 0.255303 O\n0.761071 0.761071 0.766959 O\n0.783595 0.242586 0.255303 O\n0.216405 0.757414 0.744697 O\n0.238929 0.238929 0.233041 O\n0.757414 0.216405 0.744697 O\n0.248391 0.248391 0.770847 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.383553923209586,
"density_atomic": 0.1069094160165692,
"volume": 140.305695783384,
"volume_molar": 5.632937662915181,
"formula_full": "Li3 Mn2 Fe2 O8",
"formula_reduced": "Li3Mn2(FeO4)2",
"formula_anonymous": "A2B2C3D8",
"energy": -108.57889274,
"energy_per_atom": -7.238592849333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.23489274,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.0011072,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.514000Z",
"spacegroup": 12
}
]
}