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{
"id": "mp-1199840",
"created_at": "2022-09-04T14:39:24.968581Z",
"structure_string": "Cs10 As2 P8 Se24\n1.0\n14.243387 0.000000 0.000000\n0.000000 14.243387 0.000000\n0.000000 0.000000 7.766504\nCs As P Se\n10 2 8 24\ndirect\n0.000000 0.000000 0.500000 Cs\n0.000000 0.000000 0.000000 Cs\n0.317662 0.342927 0.500000 Cs\n0.682338 0.657073 0.500000 Cs\n0.657073 0.317662 0.000000 Cs\n0.342927 0.682338 0.000000 Cs\n0.322308 0.967703 0.500000 Cs\n0.677692 0.032297 0.500000 Cs\n0.032297 0.322308 0.000000 Cs\n0.967703 0.677692 0.000000 Cs\n0.000000 0.500000 0.500000 As\n0.500000 0.000000 0.000000 As\n0.201124 0.608429 0.500000 P\n0.798876 0.391571 0.500000 P\n0.391571 0.201124 0.000000 P\n0.608429 0.798876 0.000000 P\n0.114788 0.744714 0.500000 P\n0.885212 0.255286 0.500000 P\n0.255286 0.114788 0.000000 P\n0.744714 0.885212 0.000000 P\n0.150244 0.819301 0.262527 Se\n0.849756 0.180699 0.262527 Se\n0.180699 0.150244 0.762527 Se\n0.819301 0.849756 0.762527 Se\n0.849756 0.180699 0.737473 Se\n0.150244 0.819301 0.737473 Se\n0.819301 0.849756 0.237473 Se\n0.180699 0.150244 0.237473 Se\n0.032771 0.310630 0.500000 Se\n0.967229 0.689370 0.500000 Se\n0.689370 0.032771 0.000000 Se\n0.310630 0.967229 0.000000 Se\n0.349898 0.633868 0.500000 Se\n0.650102 0.366132 0.500000 Se\n0.366132 0.349898 0.000000 Se\n0.633868 0.650102 0.000000 Se\n0.147339 0.528748 0.271919 Se\n0.852661 0.471252 0.271919 Se\n0.471252 0.147339 0.771919 Se\n0.528748 0.852661 0.771919 Se\n0.852661 0.471252 0.728081 Se\n0.147339 0.528748 0.728081 Se\n0.528748 0.852661 0.228081 Se\n0.471252 0.147339 0.228081 Se\n",
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"spacegroup": 84
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{
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"created_at": "2022-09-04T14:42:57.639379Z",
"structure_string": "Cd4 I12 N8\n1.0\n7.485496 0.000000 0.000000\n0.000000 8.412525 0.000000\n0.000000 0.000000 13.647969\nCd I N\n4 12 8\ndirect\n0.217078 0.000000 0.668743 Cd\n0.782922 0.000000 0.168743 Cd\n0.039905 0.500000 0.624948 Cd\n0.960095 0.500000 0.124948 Cd\n0.368801 0.500000 0.166535 I\n0.631199 0.500000 0.666535 I\n0.717684 0.000000 0.722579 I\n0.282316 0.000000 0.222579 I\n0.101837 0.000000 0.479562 I\n0.898163 0.000000 0.979562 I\n0.304277 0.500000 0.483725 I\n0.695723 0.500000 0.983725 I\n0.227699 0.272746 0.778305 I\n0.772301 0.727254 0.278305 I\n0.772301 0.272746 0.278305 I\n0.227699 0.727254 0.778305 I\n0.212304 0.325430 0.147017 N\n0.787696 0.674570 0.647017 N\n0.787696 0.325430 0.647017 N\n0.212304 0.674570 0.147017 N\n0.686872 0.172904 0.825891 N\n0.313128 0.827096 0.325891 N\n0.313128 0.172904 0.325891 N\n0.686872 0.827096 0.825891 N\n",
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"volume": 859.4388425664459,
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{
"id": "mp-1213724",
"created_at": "2022-09-04T14:43:36.298533Z",
"structure_string": "Cs8 La4 Cl20\n1.0\n8.701094 0.000000 0.000000\n0.000000 9.281001 0.000000\n0.000000 0.000000 14.190241\nCs La Cl\n8 4 20\ndirect\n0.947858 0.006367 0.828297 Cs\n0.052142 0.993633 0.171703 Cs\n0.447858 0.993633 0.671703 Cs\n0.052142 0.506367 0.171703 Cs\n0.552142 0.006367 0.328297 Cs\n0.947858 0.493633 0.828297 Cs\n0.552142 0.493633 0.328297 Cs\n0.447858 0.506367 0.671703 Cs\n0.934263 0.750000 0.502305 La\n0.065737 0.250000 0.497695 La\n0.434263 0.250000 0.997695 La\n0.565737 0.750000 0.002305 La\n0.112193 0.750000 0.667490 Cl\n0.887807 0.250000 0.332510 Cl\n0.612193 0.250000 0.832510 Cl\n0.387807 0.750000 0.167490 Cl\n0.845540 0.038961 0.570119 Cl\n0.154460 0.961039 0.429881 Cl\n0.345540 0.961039 0.929881 Cl\n0.154460 0.538961 0.429881 Cl\n0.654460 0.038961 0.070119 Cl\n0.845540 0.461039 0.570119 Cl\n0.654460 0.461039 0.070119 Cl\n0.345540 0.538961 0.929881 Cl\n0.607207 0.750000 0.511828 Cl\n0.392793 0.250000 0.488172 Cl\n0.107207 0.250000 0.988172 Cl\n0.892793 0.750000 0.011828 Cl\n0.651854 0.750000 0.809896 Cl\n0.348146 0.250000 0.190104 Cl\n0.151854 0.250000 0.690104 Cl\n0.848146 0.750000 0.309896 Cl\n",
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"volume": 1145.9309553349535,
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"formula_full": "Cs8 La4 Cl20",
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"spacegroup": 62
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{
"id": "mp-1216579",
"created_at": "2022-09-04T14:40:01.925234Z",
"structure_string": "Tl2 Bi1 Sb1 Te4\n1.0\n4.542747 0.000000 0.000000\n0.000000 7.872207 0.000000\n0.000000 2.647025 8.011249\nTl Bi Sb Te\n2 1 1 4\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.000000 Sb\n0.500000 0.755098 0.218572 Te\n0.000000 0.265967 0.215957 Te\n0.500000 0.244902 0.781428 Te\n0.000000 0.734033 0.784043 Te\n",
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"density_atomic": 0.027923811716144692,
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"formula_full": "Tl2 Bi1 Sb1 Te4",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 10
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{
"id": "mp-27263",
"created_at": "2022-09-04T14:42:55.349108Z",
"structure_string": "Rb2 Mn1 Br4\n1.0\n-2.704684 2.704684 8.567109\n2.704684 -2.704684 8.567109\n2.704684 2.704684 -8.567109\nRb Mn Br\n2 1 4\ndirect\n0.359852 0.359852 0.000000 Rb\n0.640148 0.640148 0.000000 Rb\n0.000000 0.000000 0.000000 Mn\n0.156695 0.156695 0.000000 Br\n0.500000 0.000000 0.500000 Br\n0.843305 0.843305 0.000000 Br\n0.000000 0.500000 0.500000 Br\n",
"nsites": 7,
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{
"id": "mp-1101628",
"created_at": "2022-09-04T14:43:44.366403Z",
"structure_string": "K2 Nb2 Cl12\n1.0\n6.129806 0.000000 4.334428\n0.117556 7.330025 12.837033\n0.117556 0.000000 12.837033\nK Nb Cl\n2 2 12\ndirect\n0.294751 0.000000 0.286098 K\n0.133054 0.500000 0.286098 K\n0.007861 0.000000 0.001384 Nb\n0.989372 0.500000 0.001384 Nb\n0.217951 0.270971 0.233252 Cl\n0.768464 0.000000 0.230651 Cl\n0.224568 0.230108 0.773035 Cl\n0.224568 0.769892 0.233250 Cl\n0.769148 0.269892 0.233250 Cl\n0.225937 0.500000 0.773237 Cl\n0.770233 0.500000 0.230651 Cl\n0.217951 0.729029 0.775194 Cl\n0.773603 0.229029 0.775194 Cl\n0.773603 0.770971 0.233252 Cl\n0.227590 0.000000 0.773237 Cl\n0.769148 0.730108 0.773035 Cl\n",
"nsites": 16,
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"density": 1.9978067365708951,
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"formula_full": "K2 Nb2 Cl12",
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{
"id": "mp-628784",
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"structure_string": "K12 Ti4 Cl24\n1.0\n7.267556 0.000000 0.000000\n0.000000 13.183046 0.000000\n0.000000 4.944199 14.953224\nK Ti Cl\n12 4 24\ndirect\n0.998013 0.172403 0.897357 K\n0.515205 0.544299 0.158473 K\n0.890301 0.145466 0.198943 K\n0.015205 0.455701 0.341527 K\n0.498013 0.827597 0.602643 K\n0.390301 0.854534 0.301057 K\n0.609699 0.145466 0.698943 K\n0.001987 0.827597 0.102643 K\n0.109699 0.854534 0.801057 K\n0.484795 0.455701 0.841527 K\n0.501987 0.172403 0.397357 K\n0.984795 0.544299 0.658473 K\n0.000000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.565732 0.180297 0.964555 Cl\n0.720212 0.969442 0.420804 Cl\n0.401115 0.384778 0.422225 Cl\n0.742846 0.335502 0.251402 Cl\n0.901115 0.615222 0.077775 Cl\n0.757154 0.335502 0.751402 Cl\n0.711142 0.425171 0.013342 Cl\n0.934268 0.180297 0.464555 Cl\n0.173232 0.034520 0.356391 Cl\n0.434268 0.819703 0.035445 Cl\n0.242846 0.664498 0.248598 Cl\n0.598885 0.615222 0.577775 Cl\n0.288858 0.574829 0.986658 Cl\n0.211142 0.574829 0.486658 Cl\n0.326768 0.034520 0.856391 Cl\n0.098885 0.384778 0.922225 Cl\n0.065732 0.819703 0.535445 Cl\n0.826768 0.965480 0.643609 Cl\n0.779788 0.969442 0.920804 Cl\n0.220212 0.030558 0.079196 Cl\n0.257154 0.664498 0.748598 Cl\n0.788858 0.425171 0.513342 Cl\n0.279788 0.030558 0.579196 Cl\n0.673232 0.965480 0.143609 Cl\n",
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"formula_full": "K12 Ti4 Cl24",
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{
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"created_at": "2022-09-04T14:48:06.397559Z",
"structure_string": "Tl10 Te6\n1.0\n-4.627294 4.627294 6.691141\n4.627294 -4.627294 6.691141\n4.627294 4.627294 -6.691141\nTl Te\n10 6\ndirect\n0.445306 0.015833 0.186060 Tl\n0.984167 0.170227 0.429473 Tl\n0.740754 0.554694 0.570527 Tl\n0.829773 0.259246 0.813940 Tl\n0.552459 0.978425 0.801719 Tl\n0.021575 0.823293 0.574033 Tl\n0.249260 0.447541 0.425967 Tl\n0.176707 0.750740 0.198281 Tl\n0.258242 0.258242 0.000000 Tl\n0.741758 0.741758 0.000000 Tl\n0.808412 0.389059 0.208527 Te\n0.610941 0.819468 0.419353 Te\n0.400115 0.191588 0.580647 Te\n0.180532 0.599885 0.791473 Te\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n",
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"formula_full": "Tl10 Te6",
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{
"id": "mp-1186632",
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"structure_string": "Pm1 Pr1\n1.0\n1.848614 -3.201893 0.000000\n1.848614 3.201893 0.000000\n0.000000 0.000000 6.051749\nPm Pr\n1 1\ndirect\n0.666667 0.333333 0.500000 Pm\n0.333333 0.666667 0.000000 Pr\n",
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{
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"structure_string": "Na4 Au4 Cl16 O8\n1.0\n12.914452 0.000000 0.000000\n0.000000 10.645422 0.000000\n0.000000 0.000000 8.339532\nNa Au Cl O\n4 4 16 8\ndirect\n0.519962 0.250000 0.912221 Na\n0.019962 0.250000 0.587779 Na\n0.480038 0.750000 0.087779 Na\n0.980038 0.750000 0.412221 Na\n0.572253 0.250000 0.469810 Au\n0.072253 0.250000 0.030190 Au\n0.427747 0.750000 0.530190 Au\n0.927747 0.750000 0.969810 Au\n0.719539 0.250000 0.312034 Cl\n0.219539 0.250000 0.187966 Cl\n0.280461 0.750000 0.687966 Cl\n0.780461 0.750000 0.812034 Cl\n0.466524 0.250000 0.244807 Cl\n0.966524 0.250000 0.255193 Cl\n0.533476 0.750000 0.755193 Cl\n0.033476 0.750000 0.744807 Cl\n0.422799 0.250000 0.628580 Cl\n0.922799 0.250000 0.871420 Cl\n0.577201 0.750000 0.371420 Cl\n0.077201 0.750000 0.128580 Cl\n0.677274 0.250000 0.696848 Cl\n0.177274 0.250000 0.803152 Cl\n0.322726 0.750000 0.303152 Cl\n0.822726 0.750000 0.196848 Cl\n0.547259 0.500913 0.011493 O\n0.047259 0.999087 0.488507 O\n0.452741 0.000913 0.988507 O\n0.952741 0.499087 0.511493 O\n0.452741 0.499087 0.988507 O\n0.952741 0.000913 0.511493 O\n0.547259 0.999087 0.011493 O\n0.047259 0.500913 0.488507 O\n",
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{
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{
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"structure_string": "Rb32 Si32\n1.0\n13.187160 0.000000 0.000000\n0.000000 13.187160 0.000000\n0.000000 0.000000 13.187160\nRb Si\n32 32\ndirect\n0.066078 0.337306 0.139843 Rb\n0.837306 0.433922 0.360157 Rb\n0.566078 0.639843 0.837306 Rb\n0.433922 0.639843 0.162694 Rb\n0.639843 0.837306 0.566078 Rb\n0.360157 0.162694 0.566078 Rb\n0.662694 0.860157 0.066078 Rb\n0.662694 0.139843 0.933922 Rb\n0.337306 0.860157 0.933922 Rb\n0.139843 0.933922 0.662694 Rb\n0.933922 0.337306 0.860157 Rb\n0.933922 0.662694 0.139843 Rb\n0.860157 0.066078 0.662694 Rb\n0.066078 0.662694 0.860157 Rb\n0.860157 0.933922 0.337306 Rb\n0.139843 0.066078 0.337306 Rb\n0.837306 0.566078 0.639843 Rb\n0.360157 0.837306 0.433922 Rb\n0.639843 0.162694 0.433922 Rb\n0.566078 0.360157 0.162694 Rb\n0.433922 0.360157 0.837306 Rb\n0.162694 0.433922 0.639843 Rb\n0.162694 0.566078 0.360157 Rb\n0.337306 0.139843 0.066078 Rb\n0.833877 0.833877 0.833877 Rb\n0.666123 0.333877 0.666123 Rb\n0.333877 0.666123 0.666123 Rb\n0.666123 0.666123 0.333877 Rb\n0.833877 0.166123 0.166123 Rb\n0.166123 0.166123 0.833877 Rb\n0.166123 0.833877 0.166123 Rb\n0.333877 0.333877 0.333877 Rb\n0.560200 0.929202 0.814541 Si\n0.560200 0.070798 0.185459 Si\n0.929202 0.814541 0.560200 Si\n0.070798 0.814541 0.439800 Si\n0.814541 0.560200 0.929202 Si\n0.185459 0.439800 0.929202 Si\n0.939800 0.685459 0.429202 Si\n0.939800 0.314541 0.570798 Si\n0.060200 0.685459 0.570798 Si\n0.314541 0.570798 0.939800 Si\n0.570798 0.060200 0.685459 Si\n0.570798 0.939800 0.314541 Si\n0.685459 0.429202 0.939800 Si\n0.429202 0.939800 0.685459 Si\n0.685459 0.570798 0.060200 Si\n0.065325 0.065325 0.065325 Si\n0.429202 0.060200 0.314541 Si\n0.185459 0.560200 0.070798 Si\n0.814541 0.439800 0.070798 Si\n0.929202 0.185459 0.439800 Si\n0.070798 0.185459 0.560200 Si\n0.439800 0.070798 0.814541 Si\n0.439800 0.929202 0.185459 Si\n0.060200 0.314541 0.429202 Si\n0.565325 0.565325 0.565325 Si\n0.934675 0.065325 0.934675 Si\n0.065325 0.934675 0.934675 Si\n0.934675 0.934675 0.065325 Si\n0.565325 0.434675 0.434675 Si\n0.434675 0.434675 0.565325 Si\n0.434675 0.565325 0.434675 Si\n0.314541 0.429202 0.060200 Si\n",
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]
}