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"results": [
{
"id": "mp-1026470",
"created_at": "2022-09-04T14:48:25.946981Z",
"structure_string": "Hf1 Mg14 Cr1\n1.0\n6.346770 -0.000000 -0.000000\n-3.173385 5.496463 -0.000000\n0.000000 0.000000 10.150449\nHf Mg Cr\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Hf\n0.166678 0.833339 0.125000 Mg\n0.172094 0.836047 0.625000 Mg\n0.666661 0.333322 0.125000 Mg\n0.663953 0.327906 0.625000 Mg\n0.666661 0.833339 0.125000 Mg\n0.663953 0.836047 0.625000 Mg\n0.329462 0.170538 0.373611 Mg\n0.329462 0.170538 0.876389 Mg\n0.329462 0.658925 0.373611 Mg\n0.329462 0.658925 0.876389 Mg\n0.841075 0.170538 0.373611 Mg\n0.841075 0.170538 0.876389 Mg\n0.833333 0.666667 0.377412 Mg\n0.833333 0.666667 0.872588 Mg\n0.166667 0.333333 0.125000 Cr\n",
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{
"id": "mp-1246185",
"created_at": "2022-09-04T14:48:25.952785Z",
"structure_string": "Rb16 Ir16 N32\n1.0\n5.829181 0.000000 0.000000\n0.000000 11.733554 0.000000\n0.000000 0.000000 17.244201\nRb Ir N\n16 16 32\ndirect\n0.249289 0.010994 0.437327 Rb\n0.749289 0.489006 0.562673 Rb\n0.750711 0.510994 0.062673 Rb\n0.250711 0.989006 0.937327 Rb\n0.750711 0.989006 0.562673 Rb\n0.250711 0.510994 0.437327 Rb\n0.249289 0.489006 0.937327 Rb\n0.749289 0.010994 0.062673 Rb\n0.325369 0.261734 0.314165 Rb\n0.825369 0.238266 0.685835 Rb\n0.674631 0.761734 0.185835 Rb\n0.174631 0.738266 0.814165 Rb\n0.674631 0.738266 0.685835 Rb\n0.174631 0.761734 0.314165 Rb\n0.325369 0.238266 0.814165 Rb\n0.825369 0.261734 0.185835 Rb\n0.752193 0.010357 0.310676 Ir\n0.252193 0.489643 0.689324 Ir\n0.247807 0.510357 0.189324 Ir\n0.747807 0.989643 0.810676 Ir\n0.247807 0.989643 0.689324 Ir\n0.747807 0.510357 0.310676 Ir\n0.752193 0.489643 0.810676 Ir\n0.252193 0.010357 0.189324 Ir\n0.804658 0.259918 0.435858 Ir\n0.304658 0.240082 0.564142 Ir\n0.195342 0.759918 0.064142 Ir\n0.695342 0.740082 0.935858 Ir\n0.195342 0.740082 0.564142 Ir\n0.695342 0.759918 0.435858 Ir\n0.804658 0.240082 0.935858 Ir\n0.304658 0.259918 0.064142 Ir\n0.076898 0.291117 0.492768 N\n0.576898 0.208883 0.507232 N\n0.923102 0.791117 0.007232 N\n0.423102 0.708883 0.992768 N\n0.923102 0.708883 0.507232 N\n0.423102 0.791117 0.492768 N\n0.076898 0.208883 0.992768 N\n0.576898 0.291117 0.007232 N\n0.702643 0.404592 0.393789 N\n0.202643 0.095408 0.606211 N\n0.297357 0.904592 0.106211 N\n0.797357 0.595408 0.893789 N\n0.297357 0.595408 0.606211 N\n0.797357 0.904592 0.393789 N\n0.702643 0.095408 0.893789 N\n0.202643 0.404592 0.106211 N\n0.825793 0.157288 0.349770 N\n0.325793 0.342712 0.650230 N\n0.174207 0.657288 0.150230 N\n0.674207 0.842712 0.849770 N\n0.174207 0.842712 0.650230 N\n0.674207 0.657288 0.349770 N\n0.825793 0.342712 0.849770 N\n0.325793 0.157288 0.150230 N\n0.559116 0.481200 0.221534 N\n0.059116 0.018800 0.778466 N\n0.440884 0.981200 0.278466 N\n0.940884 0.518800 0.721534 N\n0.440884 0.518800 0.778466 N\n0.940884 0.981200 0.221534 N\n0.559116 0.018800 0.721534 N\n0.059116 0.481200 0.278466 N\n",
"nsites": 64,
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"elements": [
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"Ir",
"N"
],
"chemical_system": "Ir-N-Rb",
"density": 6.8862338718326885,
"density_atomic": 0.0542624977141342,
"volume": 1179.451788916259,
"volume_molar": 11.098163582011747,
"formula_full": "Rb16 Ir16 N32",
"formula_reduced": "RbIrN2",
"formula_anonymous": "ABC2",
"energy": -412.13504731,
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"updated_at": "2021-11-28T01:39:07.524000Z",
"spacegroup": 61
},
{
"id": "mp-1041075",
"created_at": "2022-09-04T14:48:25.955821Z",
"structure_string": "Mg4 Ni8 P8 O32\n1.0\n2.469815 8.532201 0.000000\n-2.469815 8.532201 0.000000\n0.000000 8.203609 14.139929\nMg Ni P O\n4 8 8 32\ndirect\n0.443023 0.855743 0.373449 Mg\n0.144257 0.556977 0.126551 Mg\n0.855743 0.443023 0.873449 Mg\n0.556977 0.144257 0.626551 Mg\n0.200443 0.603541 0.469315 Ni\n0.396459 0.799557 0.030685 Ni\n0.799557 0.396459 0.530685 Ni\n0.500000 0.000000 0.500000 Ni\n0.603541 0.200443 0.969315 Ni\n0.609836 0.390164 0.750000 Ni\n0.390164 0.609836 0.250000 Ni\n0.000000 0.500000 0.000000 Ni\n0.068783 0.510840 0.358145 P\n0.777345 0.178122 0.113433 P\n0.931217 0.489160 0.641855 P\n0.178122 0.777345 0.613433 P\n0.510840 0.068783 0.858145 P\n0.489160 0.931217 0.141855 P\n0.222655 0.821878 0.886567 P\n0.821878 0.222655 0.386567 P\n0.705025 0.813733 0.603391 O\n0.774433 0.408157 0.413458 O\n0.813733 0.705025 0.103391 O\n0.795050 0.359809 0.037066 O\n0.207009 0.338013 0.562433 O\n0.635973 0.263563 0.210027 O\n0.640191 0.204950 0.462934 O\n0.858841 0.089467 0.610703 O\n0.204950 0.640191 0.962934 O\n0.591843 0.225567 0.086542 O\n0.845680 0.391580 0.642406 O\n0.592794 0.003283 0.764571 O\n0.225567 0.591843 0.586542 O\n0.089467 0.858841 0.110703 O\n0.294975 0.186267 0.396609 O\n0.154320 0.608420 0.357594 O\n0.003283 0.592794 0.264571 O\n0.359809 0.795050 0.537066 O\n0.391580 0.845680 0.142406 O\n0.407206 0.996717 0.235429 O\n0.910533 0.141159 0.889297 O\n0.338013 0.207009 0.062433 O\n0.141159 0.910533 0.389297 O\n0.263563 0.635973 0.710027 O\n0.408157 0.774433 0.913458 O\n0.186267 0.294975 0.896609 O\n0.996717 0.407206 0.735429 O\n0.661987 0.792991 0.937567 O\n0.792991 0.661987 0.437567 O\n0.736437 0.364027 0.289973 O\n0.364027 0.736437 0.789973 O\n0.608420 0.154320 0.857594 O\n",
"nsites": 52,
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"elements": [
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"Ni",
"P",
"O"
],
"chemical_system": "Mg-Ni-O-P",
"density": 3.696290515504539,
"density_atomic": 0.08725706831562523,
"volume": 595.9402602423705,
"volume_molar": 6.901607945635745,
"formula_full": "Mg4 Ni8 P8 O32",
"formula_reduced": "MgNi2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -377.77635343,
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"updated_at": "2021-11-28T01:39:34.650000Z",
"spacegroup": 15
},
{
"id": "mp-7574",
"created_at": "2022-09-04T14:48:25.970325Z",
"structure_string": "Al2 B2 Mo2\n1.0\n1.613775 -7.014603 0.000000\n1.613775 7.014603 0.000000\n0.000000 0.000000 3.113223\nAl B Mo\n2 2 2\ndirect\n0.698490 0.301510 0.750000 Al\n0.301510 0.698490 0.250000 Al\n0.466654 0.533346 0.250000 B\n0.533346 0.466654 0.750000 B\n0.089402 0.910598 0.250000 Mo\n0.910598 0.089402 0.750000 Mo\n",
"nsites": 6,
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"volume": 70.48331241004597,
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"formula_full": "Al2 B2 Mo2",
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"updated_at": "2021-11-28T01:39:22.046000Z",
"spacegroup": 63
},
{
"id": "mp-1227915",
"created_at": "2022-09-04T14:48:25.973669Z",
"structure_string": "Ce4 Cu22 Au2\n1.0\n5.043703 0.000000 0.000000\n0.000000 8.143809 0.000000\n0.000000 0.000000 10.272225\nCe Cu Au\n4 22 2\ndirect\n0.500000 0.240006 0.812869 Ce\n0.500000 0.740006 0.187131 Ce\n0.000000 0.759905 0.683009 Ce\n0.000000 0.259905 0.316991 Ce\n0.500000 0.684252 0.498934 Cu\n0.500000 0.184252 0.501066 Cu\n0.000000 0.314826 0.998295 Cu\n0.000000 0.814826 0.001705 Cu\n0.500000 0.945127 0.644050 Cu\n0.500000 0.445127 0.355950 Cu\n0.000000 0.059740 0.848015 Cu\n0.000000 0.559740 0.151985 Cu\n0.749599 0.064683 0.062802 Cu\n0.250401 0.564683 0.937198 Cu\n0.242749 0.934262 0.440013 Cu\n0.757251 0.434262 0.559987 Cu\n0.757251 0.934262 0.440013 Cu\n0.242749 0.434262 0.559987 Cu\n0.250401 0.064683 0.062802 Cu\n0.749599 0.564683 0.937198 Cu\n0.500000 0.590066 0.732428 Cu\n0.500000 0.090066 0.267572 Cu\n0.000000 0.404093 0.763998 Cu\n0.000000 0.904093 0.236002 Cu\n0.000000 0.644175 0.389707 Cu\n0.000000 0.144175 0.610293 Cu\n0.500000 0.359919 0.110838 Au\n0.500000 0.859919 0.889162 Au\n",
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"elements": [
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"density": 9.25806759247394,
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"volume": 421.9311681685398,
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"formula_full": "Ce4 Cu22 Au2",
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{
"id": "mp-757717",
"created_at": "2022-09-04T14:48:25.979981Z",
"structure_string": "Li8 Mn4 P8 O28\n1.0\n6.367599 3.671104 0.000000\n-6.367599 3.671104 0.000000\n0.000000 0.382178 11.631970\nLi Mn P O\n8 4 8 28\ndirect\n0.746354 0.308246 0.491282 Li\n0.308246 0.746354 0.991282 Li\n0.728805 0.271195 0.250000 Li\n0.289272 0.710728 0.250000 Li\n0.710728 0.289272 0.750000 Li\n0.271195 0.728805 0.750000 Li\n0.691754 0.253646 0.008718 Li\n0.253646 0.691754 0.508718 Li\n0.674065 0.677592 0.380752 Mn\n0.677592 0.674065 0.880752 Mn\n0.322408 0.325935 0.119248 Mn\n0.325935 0.322408 0.619248 Mn\n0.728919 0.928513 0.121703 P\n0.928513 0.728919 0.621703 P\n0.906268 0.664698 0.135171 P\n0.664698 0.906268 0.635171 P\n0.335302 0.093732 0.364829 P\n0.093732 0.335302 0.864829 P\n0.071487 0.271081 0.378297 P\n0.271081 0.071487 0.878297 P\n0.938371 0.902577 0.123314 O\n0.902577 0.938371 0.623314 O\n0.617491 0.846158 0.007135 O\n0.846158 0.617491 0.507135 O\n0.820155 0.577107 0.257419 O\n0.577107 0.820155 0.757419 O\n0.589043 0.789964 0.224470 O\n0.789964 0.589043 0.724470 O\n0.737549 0.538121 0.044834 O\n0.538121 0.737549 0.544834 O\n0.310757 0.878533 0.383185 O\n0.878533 0.310757 0.883185 O\n0.837509 0.186119 0.371889 O\n0.186119 0.837509 0.871889 O\n0.813881 0.162491 0.128111 O\n0.162491 0.813881 0.628111 O\n0.121467 0.689243 0.116815 O\n0.689243 0.121467 0.616815 O\n0.461879 0.262451 0.455166 O\n0.262451 0.461879 0.955166 O\n0.210036 0.410957 0.275530 O\n0.410957 0.210036 0.775530 O\n0.422893 0.179845 0.242581 O\n0.179845 0.422893 0.742581 O\n0.153842 0.382509 0.492865 O\n0.382509 0.153842 0.992865 O\n0.097423 0.061629 0.376686 O\n0.061629 0.097423 0.876686 O\n",
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"volume": 543.8206102907727,
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"formula_full": "Li8 Mn4 P8 O28",
"formula_reduced": "Li2MnP2O7",
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"energy": -359.02209328000004,
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{
"id": "mp-1079601",
"created_at": "2022-09-04T14:48:25.994813Z",
"structure_string": "Th3 Ga3 Ni3\n1.0\n3.520453 -6.097604 0.000000\n3.520453 6.097604 0.000000\n0.000000 0.000000 4.033016\nTh Ga Ni\n3 3 3\ndirect\n0.000000 0.418017 0.500000 Th\n0.581983 0.581983 0.500000 Th\n0.418017 0.000000 0.500000 Th\n0.000000 0.763342 0.000000 Ga\n0.236658 0.236658 0.000000 Ga\n0.763342 0.000000 0.000000 Ga\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n",
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"volume": 173.1480909468458,
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"formula_full": "Th3 Ga3 Ni3",
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{
"id": "mp-609413",
"created_at": "2022-09-04T14:48:26.006782Z",
"structure_string": "Eu4 Ga6 Ir2\n1.0\n2.845397 -4.928373 0.000000\n2.845397 4.928373 0.000000\n0.000000 0.000000 8.740348\nEu Ga Ir\n4 6 2\ndirect\n0.333333 0.666667 0.450294 Eu\n0.666667 0.333333 0.950294 Eu\n0.333333 0.666667 0.049706 Eu\n0.666667 0.333333 0.549706 Eu\n0.839966 0.679932 0.250000 Ga\n0.839966 0.160034 0.250000 Ga\n0.160034 0.839966 0.750000 Ga\n0.320068 0.160034 0.250000 Ga\n0.679932 0.839966 0.750000 Ga\n0.160034 0.320068 0.750000 Ga\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
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"formula_full": "Eu4 Ga6 Ir2",
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{
"id": "mp-1174116",
"created_at": "2022-09-04T14:48:26.019536Z",
"structure_string": "Li5 Co3 O8\n1.0\n1.441735 9.546433 0.000000\n-1.441735 9.546433 0.000000\n0.000000 0.400018 5.040743\nLi Co O\n5 3 8\ndirect\n0.122197 0.122197 0.618202 Li\n0.877803 0.877803 0.381798 Li\n0.621835 0.621835 0.124142 Li\n0.378165 0.378165 0.875858 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.750383 0.750383 0.749880 Co\n0.249617 0.249617 0.250120 Co\n0.554520 0.554520 0.833581 O\n0.310056 0.310056 0.569818 O\n0.055284 0.055284 0.273246 O\n0.808341 0.808341 0.074309 O\n0.689944 0.689944 0.430182 O\n0.445480 0.445480 0.166419 O\n0.191659 0.191659 0.925691 O\n0.944716 0.944716 0.726754 O\n",
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