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{
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"structure_string": "Ba1 Sr1 Y1 Bi1 O6\n1.0\n-0.000000 -4.328357 -4.328357\n4.328357 0.000000 -4.328357\n4.328357 -4.328357 0.000000\nBa Sr Y Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Y\n-0.000000 0.000000 -0.000000 Bi\n0.755820 0.244180 0.244180 O\n0.244180 0.755820 0.755820 O\n0.755820 0.244180 0.755820 O\n0.244180 0.755820 0.244180 O\n0.755820 0.755820 0.244180 O\n0.244180 0.244180 0.755820 O\n",
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{
"id": "mp-1518258",
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"structure_string": "Ba1 Na1 Nd1 W1 O6\n1.0\n0.000000 -4.288652 -4.288652\n4.288652 -0.000000 -4.288652\n4.288652 -4.288652 0.000000\nBa Na Nd W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n0.000000 -0.000000 -0.000000 Nd\n0.500000 0.500000 0.500000 W\n0.728017 0.271983 0.271983 O\n0.271983 0.728017 0.728017 O\n0.728017 0.271983 0.728017 O\n0.271983 0.728017 0.271983 O\n0.728017 0.728017 0.271983 O\n0.271983 0.271983 0.728017 O\n",
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{
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"structure_string": "Ca1 Zr1 Nb1 In1 O6\n1.0\n0.000000 -4.129911 -4.129911\n4.129911 -0.000000 -4.129911\n4.129911 -4.129911 0.000000\nCa Zr Nb In O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 0.000000 Nb\n0.750000 0.750000 0.750000 In\n0.755802 0.244198 0.244198 O\n0.244198 0.755802 0.755802 O\n0.755802 0.244198 0.755802 O\n0.244198 0.755802 0.244198 O\n0.755802 0.755802 0.244198 O\n0.244198 0.244198 0.755802 O\n",
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"formula_full": "Ca1 Zr1 Nb1 In1 O6",
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{
"id": "mp-1520738",
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"structure_string": "Na1 Gd1 Mg1 Fe1 O6\n1.0\n-0.000000 -3.814938 -3.814938\n3.814938 -0.000000 -3.814938\n3.814938 -3.814938 -0.000000\nNa Gd Mg Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Gd\n0.500000 0.500000 0.500000 Mg\n-0.000000 -0.000000 -0.000000 Fe\n0.760066 0.239934 0.239934 O\n0.239934 0.760066 0.760066 O\n0.760066 0.239934 0.760066 O\n0.239934 0.760066 0.239934 O\n0.760066 0.760066 0.239934 O\n0.239934 0.239934 0.760066 O\n",
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{
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"structure_string": "Sr2 Pr2 Mg2 Ru2 O12\n1.0\n5.678374 0.000000 0.000000\n0.000000 5.601883 0.000000\n0.000000 5.578546 7.924900\nSr Pr Mg Ru O\n2 2 2 2 12\ndirect\n0.220215 0.244797 0.250750 Sr\n0.779785 0.244797 0.750750 Sr\n0.299066 0.761463 0.751071 Pr\n0.700934 0.761463 0.251071 Pr\n0.756391 0.499715 0.001043 Mg\n0.243609 0.499715 0.501043 Mg\n0.752398 0.000058 0.499743 Ru\n0.247602 0.000058 0.999743 Ru\n0.763249 0.331166 0.256312 O\n0.236751 0.331166 0.756312 O\n0.727322 0.693270 0.743738 O\n0.272678 0.693270 0.243738 O\n0.951073 0.758149 0.456442 O\n0.048927 0.758149 0.956442 O\n0.532968 0.234688 0.536375 O\n0.467032 0.234688 0.036375 O\n0.036524 0.153692 0.543476 O\n0.963476 0.153692 0.043476 O\n0.478276 0.823003 0.461049 O\n0.521724 0.823003 0.961049 O\n",
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{
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"structure_string": "Sr4 Ca4 Eu4 Bi4 O24\n1.0\n8.546004 0.000000 0.000000\n0.000000 8.544621 0.000000\n0.000000 0.000000 8.543976\nSr Ca Eu Bi O\n4 4 4 4 24\ndirect\n-0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n-0.000000 0.500000 -0.000000 Sr\n0.500000 -0.000000 -0.000000 Ca\n-0.000000 -0.000000 0.500000 Ca\n-0.000000 -0.000000 -0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.249765 0.247842 0.249724 Eu\n0.750235 0.752158 0.249724 Eu\n0.750235 0.247842 0.750276 Eu\n0.249765 0.752158 0.750276 Eu\n0.749679 0.752583 0.750179 Bi\n0.250321 0.247417 0.750179 Bi\n0.250321 0.752583 0.249821 Bi\n0.749679 0.247417 0.249821 Bi\n0.989837 0.189082 0.295298 O\n0.010163 0.810917 0.295298 O\n0.010163 0.189082 0.704702 O\n0.989837 0.810917 0.704702 O\n0.297784 0.991102 0.190985 O\n0.297784 0.008898 0.809015 O\n0.702216 0.008898 0.190985 O\n0.702216 0.991102 0.809015 O\n0.197223 0.285755 0.990689 O\n0.802777 0.285755 0.009311 O\n0.197223 0.714245 0.009311 O\n0.802777 0.714245 0.990689 O\n0.508528 0.300699 0.214814 O\n0.491472 0.699301 0.214814 O\n0.491472 0.300699 0.785186 O\n0.508528 0.699301 0.785186 O\n0.212048 0.509627 0.297323 O\n0.212048 0.490373 0.702677 O\n0.787952 0.490373 0.297323 O\n0.787952 0.509627 0.702677 O\n0.299963 0.212482 0.508626 O\n0.700037 0.212482 0.491374 O\n0.299963 0.787518 0.491374 O\n0.700037 0.787518 0.508626 O\n",
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{
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"structure_string": "Ba4 Ca4 Ce4 Zr4 O24\n1.0\n8.516266 0.000000 0.000000\n0.000000 8.554688 0.000000\n0.000000 0.000000 8.532051\nBa Ca Ce Zr O\n4 4 4 4 24\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 Ca\n0.744053 0.748746 0.748776 Ce\n0.255947 0.251254 0.748776 Ce\n0.255947 0.748746 0.251224 Ce\n0.744053 0.251254 0.251224 Ce\n0.256340 0.251131 0.250294 Zr\n0.743660 0.748869 0.250294 Zr\n0.743660 0.251131 0.749706 Zr\n0.256340 0.748869 0.749706 Zr\n0.008332 0.214966 0.273870 O\n0.991668 0.785034 0.273870 O\n0.991668 0.214966 0.726130 O\n0.008332 0.785034 0.726130 O\n0.300357 0.007263 0.203660 O\n0.300357 0.992737 0.796340 O\n0.699643 0.992737 0.203660 O\n0.699643 0.007263 0.796340 O\n0.222714 0.282817 0.005614 O\n0.777286 0.282817 0.994386 O\n0.222714 0.717183 0.994386 O\n0.777286 0.717183 0.005614 O\n0.493518 0.312963 0.208198 O\n0.506482 0.687037 0.208198 O\n0.506482 0.312963 0.791802 O\n0.493518 0.687037 0.791802 O\n0.208544 0.492096 0.307074 O\n0.208544 0.507904 0.692926 O\n0.791456 0.507904 0.307074 O\n0.791456 0.492096 0.692926 O\n0.304158 0.200769 0.491380 O\n0.695842 0.200769 0.508620 O\n0.304158 0.799231 0.508620 O\n0.695842 0.799231 0.491380 O\n",
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{
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"structure_string": "Sr2 Pr2 Zn2 Ru2 O12\n1.0\n5.735228 0.000000 0.000000\n0.000000 5.616064 0.000000\n0.000000 5.607637 7.945426\nSr Pr Zn Ru O\n2 2 2 2 12\ndirect\n0.211839 0.243346 0.250310 Sr\n0.788161 0.243346 0.750310 Sr\n0.306425 0.762951 0.751728 Pr\n0.693575 0.762951 0.251728 Pr\n0.759987 0.499619 0.001701 Zn\n0.240013 0.499619 0.501701 Zn\n0.752219 0.000573 0.499745 Ru\n0.247781 0.000573 0.999745 Ru\n0.765938 0.336012 0.257562 O\n0.234062 0.336012 0.757562 O\n0.724667 0.687592 0.742521 O\n0.275333 0.687592 0.242521 O\n0.945008 0.757426 0.453883 O\n0.054992 0.757426 0.953883 O\n0.539795 0.235292 0.539099 O\n0.460205 0.235292 0.039099 O\n0.039175 0.143372 0.546474 O\n0.960825 0.143372 0.046474 O\n0.476980 0.833816 0.456978 O\n0.523020 0.833816 0.956978 O\n",
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"elements": [
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],
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"density": 6.840763855067894,
"density_atomic": 0.06957414003966302,
"volume": 143.73156454825275,
"volume_molar": 8.65571713364604,
"formula_full": "Ba1 Na1 Eu1 W1 O6",
"formula_reduced": "BaNaEuWO6",
"formula_anonymous": "ABCDE6",
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -73.54807173,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:30.544000Z",
"spacegroup": 216
},
{
"id": "mp-1519892",
"created_at": "2022-09-04T14:41:37.202985Z",
"structure_string": "Ca1 Eu1 Zr1 Sn1 O6\n1.0\n0.000000 -4.129084 -4.129084\n4.129084 0.000000 -4.129084\n4.129084 -4.129084 0.000000\nCa Eu Zr Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 -0.000000 Sn\n0.751393 0.248607 0.248607 O\n0.248607 0.751393 0.751393 O\n0.751393 0.248607 0.751393 O\n0.248607 0.751393 0.248607 O\n0.751393 0.751393 0.248607 O\n0.248607 0.248607 0.751393 O\n",
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"elements": [
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],
"chemical_system": "Ca-Eu-O-Sn-Zr",
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"density_atomic": 0.07102460878530037,
"volume": 140.79627006787052,
"volume_molar": 8.47894956831691,
"formula_full": "Ca1 Eu1 Zr1 Sn1 O6",
"formula_reduced": "CaEuZrSnO6",
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"updated_at": "2021-11-28T01:35:29.286000Z",
"spacegroup": 216
}
]
}