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{
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"structure_string": "Li4 Co8 P8 O32\n1.0\n8.432459 0.000000 -0.128878\n0.000000 5.280686 0.000000\n-4.116149 0.000000 16.049317\nLi Co P O\n4 8 8 32\ndirect\n0.080321 0.852441 0.484341 Li\n0.580321 0.147559 0.984341 Li\n0.280598 0.339298 0.250368 Li\n0.780598 0.660702 0.750368 Li\n0.205496 0.314572 0.937704 Co\n0.221597 0.335823 0.433507 Co\n0.377377 0.816081 0.687576 Co\n0.721597 0.664177 0.933507 Co\n0.378431 0.825524 0.180052 Co\n0.705496 0.685428 0.437704 Co\n0.878431 0.174476 0.680052 Co\n0.877377 0.183919 0.187576 Co\n0.002122 0.669570 0.620395 P\n0.338098 0.816640 0.874391 P\n0.005768 0.677509 0.121314 P\n0.331938 0.830844 0.367844 P\n0.505768 0.322491 0.621314 P\n0.831938 0.169156 0.867844 P\n0.502122 0.330430 0.120395 P\n0.838098 0.183360 0.374391 P\n0.000993 0.192006 0.935977 O\n0.030785 0.391232 0.643944 O\n0.213696 0.651668 0.905666 O\n0.009164 0.189428 0.438581 O\n0.164918 0.794591 0.610965 O\n0.274301 0.093913 0.862436 O\n0.038657 0.411144 0.167423 O\n0.351441 0.707519 0.789728 O\n0.202262 0.704703 0.406509 O\n0.509164 0.810572 0.938581 O\n0.165583 0.767734 0.104010 O\n0.454561 0.140934 0.685643 O\n0.288070 0.115495 0.349364 O\n0.365031 0.335265 0.542638 O\n0.344480 0.690342 0.288021 O\n0.538657 0.588856 0.667423 O\n0.702262 0.295297 0.906509 O\n0.500993 0.807994 0.435977 O\n0.427876 0.190923 0.184312 O\n0.390794 0.288501 0.029087 O\n0.665583 0.232266 0.604010 O\n0.788070 0.884505 0.849364 O\n0.530785 0.608768 0.143944 O\n0.844480 0.309658 0.788021 O\n0.713696 0.348332 0.405666 O\n0.664918 0.205409 0.110965 O\n0.927876 0.809077 0.684312 O\n0.774301 0.906087 0.362436 O\n0.890794 0.711499 0.529087 O\n0.851441 0.292481 0.289728 O\n0.954561 0.859066 0.185643 O\n0.865031 0.664735 0.042638 O\n",
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{
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"created_at": "2022-09-04T14:47:21.541422Z",
"structure_string": "Mn12 O2 F22\n1.0\n3.688406 3.783713 0.000000\n-3.688406 3.783713 0.000000\n0.000000 0.800680 15.557212\nMn O F\n12 2 22\ndirect\n0.693488 0.693488 0.000300 Mn\n0.267558 0.764287 0.163190 Mn\n0.750350 0.750350 0.330478 Mn\n0.248920 0.751080 0.500000 Mn\n0.741872 0.741872 0.667185 Mn\n0.235713 0.732442 0.836810 Mn\n0.764287 0.267558 0.163190 Mn\n0.306512 0.306512 0.999700 Mn\n0.249650 0.249650 0.669522 Mn\n0.751080 0.248920 0.500000 Mn\n0.258128 0.258128 0.332815 Mn\n0.732442 0.235713 0.836810 Mn\n0.506546 0.506546 0.919003 O\n0.493454 0.493454 0.080997 O\n0.523056 0.523056 0.250143 F\n0.982715 0.604352 0.081251 F\n0.517083 0.517083 0.582117 F\n0.983416 0.519565 0.416927 F\n0.976266 0.524938 0.755074 F\n0.023734 0.475062 0.244926 F\n0.016584 0.480435 0.583073 F\n0.017285 0.395648 0.918749 F\n0.476944 0.476944 0.749857 F\n0.482917 0.482917 0.417883 F\n0.395648 0.017285 0.918749 F\n0.480435 0.016584 0.583073 F\n0.475062 0.023734 0.244926 F\n0.110800 0.110800 0.084079 F\n0.018480 0.018480 0.414559 F\n0.025083 0.025083 0.757788 F\n0.519565 0.983416 0.416927 F\n0.604352 0.982715 0.081251 F\n0.524938 0.976266 0.755074 F\n0.981520 0.981520 0.585441 F\n0.889200 0.889200 0.915921 F\n0.974917 0.974917 0.242212 F\n",
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"formula_full": "Mn12 O2 F22",
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{
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"structure_string": "Gd4 In8 Cl20\n1.0\n8.181587 0.000000 0.000000\n0.000000 8.555555 0.000000\n0.000000 0.000000 13.011524\nGd In Cl\n4 8 20\ndirect\n0.927975 0.750000 0.503474 Gd\n0.072025 0.250000 0.496526 Gd\n0.427975 0.250000 0.996526 Gd\n0.572025 0.750000 0.003474 Gd\n0.950254 0.005025 0.827597 In\n0.049746 0.994975 0.172403 In\n0.450254 0.994975 0.672403 In\n0.049746 0.505025 0.172403 In\n0.549746 0.005025 0.327597 In\n0.950254 0.494975 0.827597 In\n0.549746 0.494975 0.327597 In\n0.450254 0.505025 0.672403 In\n0.112504 0.750000 0.675173 Cl\n0.887496 0.250000 0.324827 Cl\n0.612504 0.250000 0.824827 Cl\n0.387496 0.750000 0.175173 Cl\n0.840034 0.042528 0.573598 Cl\n0.159966 0.957472 0.426402 Cl\n0.340034 0.957472 0.926402 Cl\n0.159966 0.542528 0.426402 Cl\n0.659966 0.042528 0.073598 Cl\n0.840034 0.457472 0.573598 Cl\n0.659966 0.457472 0.073598 Cl\n0.340034 0.542528 0.926402 Cl\n0.590947 0.750000 0.509215 Cl\n0.409053 0.250000 0.490785 Cl\n0.090947 0.250000 0.990785 Cl\n0.909053 0.750000 0.009215 Cl\n0.657138 0.750000 0.802616 Cl\n0.342862 0.250000 0.197384 Cl\n0.157138 0.250000 0.697384 Cl\n0.842862 0.750000 0.302616 Cl\n",
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"elements": [
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"density": 4.114248728165906,
"density_atomic": 0.03513468553097071,
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"formula_full": "Gd4 In8 Cl20",
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"updated_at": "2021-11-28T01:38:12.805000Z",
"spacegroup": 62
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{
"id": "mp-1183883",
"created_at": "2022-09-04T14:47:21.549050Z",
"structure_string": "Eu2 Ag1 Bi1\n1.0\n0.000000 3.943645 3.943645\n3.943645 0.000000 3.943645\n3.943645 3.943645 0.000000\nEu Ag Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n",
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"formula_full": "Eu2 Ag1 Bi1",
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{
"id": "mp-1222746",
"created_at": "2022-09-04T14:47:21.556594Z",
"structure_string": "Lu4 Mn1 Ge8\n1.0\n0.000000 0.000000 3.951625\n4.137391 0.000000 0.000000\n0.000000 15.718223 0.000000\nLu Mn Ge\n4 1 8\ndirect\n0.250000 0.000000 0.099933 Lu\n0.250000 0.500000 0.607787 Lu\n0.750000 0.500000 0.399215 Lu\n0.750000 0.000000 0.896155 Lu\n0.250000 0.000000 0.311091 Mn\n0.250000 0.000000 0.460444 Ge\n0.250000 0.500000 0.944399 Ge\n0.750000 0.500000 0.055876 Ge\n0.750000 0.000000 0.567350 Ge\n0.250000 0.500000 0.239345 Ge\n0.250000 0.000000 0.749144 Ge\n0.750000 0.000000 0.233478 Ge\n0.750000 0.500000 0.753784 Ge\n",
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"formula_full": "Lu4 Mn1 Ge8",
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{
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"created_at": "2022-09-04T14:47:21.555895Z",
"structure_string": "Rb1 Mg30 Ti1 O32\n1.0\n8.623986 0.000000 0.000000\n0.000000 8.623986 0.000000\n0.000000 0.000000 8.638358\nRb Mg Ti O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.250952 0.250952 0.000000 Mg\n0.250952 0.749048 0.000000 Mg\n0.749048 0.250952 0.000000 Mg\n0.749048 0.749048 0.000000 Mg\n0.251165 0.251165 0.500000 Mg\n0.251165 0.748835 0.500000 Mg\n0.748835 0.251165 0.500000 Mg\n0.748835 0.748835 0.500000 Mg\n0.000000 0.252662 0.252383 Mg\n0.000000 0.747338 0.252383 Mg\n0.500000 0.248334 0.253120 Mg\n0.500000 0.751666 0.253120 Mg\n0.000000 0.252662 0.747617 Mg\n0.000000 0.747338 0.747617 Mg\n0.500000 0.248334 0.746880 Mg\n0.500000 0.751666 0.746880 Mg\n0.252662 0.000000 0.252383 Mg\n0.248334 0.500000 0.253120 Mg\n0.747338 0.000000 0.252383 Mg\n0.751666 0.500000 0.253120 Mg\n0.252662 0.000000 0.747617 Mg\n0.248334 0.500000 0.746880 Mg\n0.747338 0.000000 0.747617 Mg\n0.751666 0.500000 0.746880 Mg\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.248387 O\n0.000000 0.500000 0.254166 O\n0.500000 0.000000 0.254166 O\n0.500000 0.500000 0.278407 O\n0.000000 0.000000 0.751613 O\n0.000000 0.500000 0.745834 O\n0.500000 0.000000 0.745834 O\n0.500000 0.500000 0.721593 O\n0.249680 0.249680 0.248682 O\n0.249680 0.750320 0.248682 O\n0.750320 0.249680 0.248682 O\n0.750320 0.750320 0.248682 O\n0.249680 0.249680 0.751318 O\n0.249680 0.750320 0.751318 O\n0.750320 0.249680 0.751318 O\n0.750320 0.750320 0.751318 O\n0.000000 0.239537 0.000000 O\n0.000000 0.760463 0.000000 O\n0.500000 0.220949 0.000000 O\n0.500000 0.779051 0.000000 O\n0.000000 0.247817 0.500000 O\n0.000000 0.752183 0.500000 O\n0.500000 0.244153 0.500000 O\n0.500000 0.755847 0.500000 O\n0.239537 0.000000 0.000000 O\n0.220949 0.500000 0.000000 O\n0.760463 0.000000 0.000000 O\n0.779051 0.500000 0.000000 O\n0.247817 0.000000 0.500000 O\n0.244153 0.500000 0.500000 O\n0.752183 0.000000 0.500000 O\n0.755847 0.500000 0.500000 O\n",
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{
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"formula_full": "Pr1 Co10 Mo2",
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{
"id": "mp-1226487",
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"structure_string": "Co3 Ni6 S8\n1.0\n-4.966278 -0.002927 -4.960959\n4.966278 -4.960959 -0.002927\n-4.966278 -4.960959 -0.002927\nCo Ni S\n3 6 8\ndirect\n0.000000 0.502976 0.497024 Co\n0.249920 0.125549 0.624530 Co\n0.750080 0.125549 0.124371 Co\n0.745582 0.618664 0.126918 Ni\n0.254418 0.127500 0.126918 Ni\n0.748359 0.873799 0.377842 Ni\n0.251641 0.873799 0.874560 Ni\n0.251480 0.376990 0.874491 Ni\n0.748520 0.874029 0.874491 Ni\n0.524515 0.261804 0.733103 S\n0.005092 0.742381 0.733103 S\n0.000000 0.261325 0.738675 S\n0.475485 0.742381 0.262711 S\n0.994908 0.261804 0.262711 S\n0.000000 0.736899 0.263101 S\n0.500000 0.244967 0.255033 S\n0.500000 0.749582 0.750418 S\n",
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{
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"structure_string": "Ce1 Mn4 Co8\n1.0\n0.000000 0.000000 4.557716\n-4.193482 4.193482 2.278858\n-4.193482 -4.193482 2.278858\nCe Mn Co\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.357515 0.642485 Co\n0.000000 0.642485 0.357515 Co\n0.642485 0.357515 0.357515 Co\n0.357515 0.642485 0.642485 Co\n0.500000 0.772079 0.227921 Co\n0.500000 0.227921 0.772079 Co\n0.727921 0.772079 0.772079 Co\n0.272079 0.227921 0.227921 Co\n",
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{
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H\n0.671727 0.993789 0.953727 H\n0.754758 0.940878 0.530261 H\n0.745242 0.559122 0.030261 H\n0.245242 0.440878 0.469739 H\n0.254758 0.059122 0.969739 H\n0.245242 0.059122 0.469739 H\n0.254758 0.440878 0.969739 H\n0.754758 0.559122 0.530261 H\n0.745242 0.940878 0.030261 H\n0.341152 0.874231 0.689063 H\n0.158848 0.625769 0.189063 H\n0.658848 0.374231 0.310937 H\n0.841152 0.125769 0.810937 H\n0.658848 0.125769 0.310937 H\n0.841152 0.374231 0.810937 H\n0.341152 0.625769 0.689063 H\n0.158848 0.874231 0.189063 H\n0.517205 0.827494 0.700592 H\n0.982795 0.672506 0.200592 H\n0.482795 0.327494 0.299408 H\n0.017205 0.172506 0.799408 H\n0.482795 0.172506 0.299408 H\n0.017205 0.327494 0.799408 H\n0.517205 0.672506 0.700592 H\n0.982795 0.827494 0.200592 H\n0.333529 0.007179 0.654654 H\n0.166471 0.492821 0.154654 H\n0.666471 0.507179 0.345346 H\n0.833529 0.992821 0.845346 H\n0.666471 0.992821 0.345346 H\n0.833529 0.507179 0.845346 H\n0.333529 0.492821 0.654654 H\n0.166471 0.007179 0.154654 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}
]
}