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{
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{
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"structure_string": "Sr4 Ca4 I16\n1.0\n7.901180 0.000000 0.000000\n0.000000 7.408257 0.000000\n0.000000 7.164470 18.654633\nSr Ca I\n4 4 16\ndirect\n0.750868 0.171949 0.321003 Sr\n0.250868 0.828051 0.178997 Sr\n0.749132 0.171949 0.821003 Sr\n0.249132 0.828051 0.678997 Sr\n0.745540 0.427490 0.064761 Ca\n0.754460 0.427490 0.564761 Ca\n0.245540 0.572510 0.435239 Ca\n0.254460 0.572510 0.935239 Ca\n0.425350 0.469727 0.810927 I\n0.924800 0.330463 0.940065 I\n0.424800 0.669537 0.559935 I\n0.420354 0.201369 0.048794 I\n0.925350 0.530273 0.689073 I\n0.387641 0.943464 0.315158 I\n0.887641 0.056536 0.184842 I\n0.920354 0.798631 0.451206 I\n0.079646 0.201369 0.548794 I\n0.112359 0.943464 0.815158 I\n0.612359 0.056536 0.684842 I\n0.074650 0.469727 0.310927 I\n0.579646 0.798631 0.951206 I\n0.575200 0.330463 0.440065 I\n0.075200 0.669537 0.059935 I\n0.574650 0.530273 0.189073 I\n",
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{
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"structure_string": "Sr4 Ca4 I16\n1.0\n8.181743 0.000000 0.000000\n0.000000 8.250707 0.000000\n0.000000 4.781940 16.350996\nSr Ca I\n4 4 16\ndirect\n0.049916 0.720404 0.841269 Sr\n0.450084 0.720404 0.341269 Sr\n0.549916 0.279596 0.658731 Sr\n0.950084 0.279596 0.158731 Sr\n0.353045 0.800698 0.597283 Ca\n0.146955 0.800698 0.097283 Ca\n0.853045 0.199302 0.902717 Ca\n0.646955 0.199302 0.402717 Ca\n0.192852 0.040039 0.680654 I\n0.307148 0.040039 0.180654 I\n0.696864 0.963384 0.580606 I\n0.803136 0.963384 0.080606 I\n0.371955 0.530514 0.765519 I\n0.263581 0.516643 0.520498 I\n0.128045 0.530514 0.265519 I\n0.763581 0.483357 0.979502 I\n0.236419 0.516643 0.020498 I\n0.871955 0.469486 0.734481 I\n0.736419 0.483357 0.479502 I\n0.628045 0.469486 0.234481 I\n0.196864 0.036616 0.919394 I\n0.303136 0.036616 0.419394 I\n0.692852 0.959961 0.819346 I\n0.807148 0.959961 0.319346 I\n",
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"structure_string": "Sr4 Ca4 I16\n1.0\n16.326428 0.000000 0.000000\n0.000000 8.104518 0.000000\n0.000000 0.604509 8.348443\nSr Ca I\n4 4 16\ndirect\n0.866346 0.345322 0.893867 Sr\n0.633654 0.345322 0.393867 Sr\n0.366346 0.654678 0.606133 Sr\n0.133654 0.654678 0.106133 Sr\n0.136576 0.226987 0.742003 Ca\n0.363424 0.226987 0.242003 Ca\n0.636576 0.773013 0.757997 Ca\n0.863424 0.773013 0.257997 Ca\n0.704635 0.125716 0.728272 I\n0.449839 0.268842 0.568394 I\n0.279699 0.409540 0.926340 I\n0.795365 0.125716 0.228272 I\n0.970265 0.234504 0.592087 I\n0.050161 0.268842 0.068394 I\n0.220301 0.409540 0.426340 I\n0.529735 0.234504 0.092087 I\n0.470265 0.765496 0.907913 I\n0.779699 0.590460 0.573660 I\n0.949839 0.731158 0.931606 I\n0.029735 0.765496 0.407913 I\n0.204635 0.874284 0.771728 I\n0.720301 0.590460 0.073660 I\n0.550161 0.731158 0.431606 I\n0.295365 0.874284 0.271728 I\n",
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{
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{
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{
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"created_at": "2022-09-04T14:40:18.544353Z",
"structure_string": "Sr4 Ca4 La4 Sb4 O24\n1.0\n8.486978 0.000000 0.000000\n0.000000 8.458920 0.000000\n0.000000 0.000000 8.487877\nSr Ca La Sb O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 -0.000000 Sr\n0.000000 0.500000 -0.000000 Ca\n0.000000 -0.000000 0.500000 Ca\n0.000000 -0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.752250 0.750335 0.750295 La\n0.247750 0.249665 0.750295 La\n0.247750 0.750335 0.249705 La\n0.752250 0.249665 0.249705 La\n0.247293 0.249740 0.250707 Sb\n0.752707 0.750260 0.250707 Sb\n0.752707 0.249740 0.749293 Sb\n0.247293 0.750260 0.749293 Sb\n0.020210 0.194460 0.296051 O\n0.979790 0.805540 0.296051 O\n0.979790 0.194460 0.703949 O\n0.020210 0.805540 0.703949 O\n0.284595 0.020907 0.199645 O\n0.284595 0.979093 0.800355 O\n0.715405 0.979093 0.199645 O\n0.715405 0.020907 0.800355 O\n0.191837 0.293126 0.022352 O\n0.808163 0.293126 0.977648 O\n0.191837 0.706874 0.977648 O\n0.808163 0.706874 0.022352 O\n0.478616 0.294679 0.212960 O\n0.521384 0.705321 0.212960 O\n0.521384 0.294679 0.787040 O\n0.478616 0.705321 0.787040 O\n0.212903 0.480011 0.297094 O\n0.212903 0.519989 0.702906 O\n0.787097 0.519989 0.297094 O\n0.787097 0.480011 0.702906 O\n0.297604 0.215595 0.480504 O\n0.702396 0.215595 0.519496 O\n0.297604 0.784405 0.519496 O\n0.702396 0.784405 0.480504 O\n",
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"elements": [
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"density": 5.279711247974531,
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"formula_full": "Sr4 Ca4 La4 Sb4 O24",
"formula_reduced": "SrCaLaSbO6",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.681000Z",
"spacegroup": 16
},
{
"id": "mp-1076410",
"created_at": "2022-09-04T14:44:17.980046Z",
"structure_string": "Sr4 Ca4 Mn2 Fe6 O24\n1.0\n7.734775 0.000000 0.000000\n0.000000 7.750333 0.000000\n0.000000 0.000163 7.750487\nSr Ca Mn Fe O\n4 4 2 6 24\ndirect\n0.500000 0.250157 0.250201 Sr\n0.500000 0.749844 0.250201 Sr\n0.000000 0.749818 0.250197 Sr\n0.000000 0.250164 0.749788 Sr\n0.500000 0.250168 0.749798 Ca\n0.500000 0.749835 0.749800 Ca\n0.000000 0.250171 0.250196 Ca\n0.000000 0.749844 0.749793 Ca\n0.249982 0.500005 0.500643 Mn\n0.750018 0.500005 0.500643 Mn\n0.249987 0.000007 0.999361 Fe\n0.249992 0.499991 0.999337 Fe\n0.249992 0.000007 0.500647 Fe\n0.750013 0.000007 0.999361 Fe\n0.750008 0.499991 0.999337 Fe\n0.750008 0.000007 0.500647 Fe\n0.500000 0.000009 0.997472 O\n0.500000 0.499990 0.997500 O\n0.500000 0.000006 0.502516 O\n0.500000 0.499989 0.502553 O\n0.000000 0.999994 0.999824 O\n0.000000 0.500007 0.999819 O\n0.000000 0.999996 0.500163 O\n0.000000 0.500008 0.500127 O\n0.248820 0.001168 0.249228 O\n0.248793 0.498806 0.252409 O\n0.251157 0.998844 0.750768 O\n0.251182 0.501176 0.747581 O\n0.751180 0.001168 0.249228 O\n0.751207 0.498806 0.252409 O\n0.748843 0.998844 0.750768 O\n0.748818 0.501176 0.747581 O\n0.250018 0.249243 0.999818 O\n0.249980 0.750752 0.997487 O\n0.250002 0.252432 0.500189 O\n0.249995 0.747569 0.502556 O\n0.749982 0.249243 0.999818 O\n0.750020 0.750752 0.997487 O\n0.749998 0.252432 0.500189 O\n0.750005 0.747569 0.502556 O\n",
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"elements": [
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"chemical_system": "Ca-Fe-Mn-O-Sr",
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"volume": 464.6190791869812,
"volume_molar": 6.995003736613969,
"formula_full": "Sr4 Ca4 Mn2 Fe6 O24",
"formula_reduced": "Sr2Ca2Mn(FeO4)3",
"formula_anonymous": "AB2C2D3E12",
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"updated_at": "2021-11-28T01:36:21.443000Z",
"spacegroup": 6
},
{
"id": "mp-1076058",
"created_at": "2022-09-04T14:48:01.428847Z",
"structure_string": "Sr4 Ca4 Mn5 Fe3 O24\n1.0\n7.714186 0.000000 0.000000\n0.001978 -7.714531 0.000000\n0.000032 -0.000140 -7.755728\nSr Ca Mn Fe O\n4 4 5 3 24\ndirect\n0.749617 0.250342 0.250856 Sr\n0.250417 0.250376 0.250645 Sr\n0.250494 0.250354 0.749315 Sr\n0.749553 0.749625 0.749285 Sr\n0.749274 0.749448 0.251037 Ca\n0.250733 0.749446 0.251322 Ca\n0.749282 0.250548 0.748783 Ca\n0.250599 0.749473 0.748732 Ca\n0.500043 0.501288 0.999965 Mn\n0.999943 0.998849 0.500066 Mn\n0.500059 0.998583 0.500070 Mn\n0.999955 0.501424 0.500066 Mn\n0.500062 0.501182 0.500088 Mn\n0.999960 0.998658 0.999955 Fe\n0.500039 0.998665 0.999966 Fe\n0.999960 0.501280 0.999974 Fe\n0.999941 0.994536 0.252501 O\n0.500038 0.994747 0.254294 O\n0.999946 0.505203 0.254317 O\n0.499985 0.506100 0.250730 O\n0.000107 0.998691 0.747507 O\n0.499931 0.998766 0.745682 O\n0.000087 0.501215 0.745672 O\n0.499995 0.500897 0.749238 O\n0.998112 0.248349 0.998072 O\n0.502031 0.252669 0.997976 O\n0.001706 0.751611 0.001754 O\n0.498142 0.747164 0.001867 O\n0.997362 0.249577 0.502493 O\n0.502658 0.250294 0.502650 O\n0.002561 0.750461 0.497655 O\n0.497407 0.749769 0.497440 O\n0.751621 0.998718 0.000075 O\n0.248370 0.995104 0.999966 O\n0.747241 0.501272 0.000074 O\n0.252760 0.505146 0.999959 O\n0.750425 0.999292 0.499940 O\n0.249569 0.994106 0.500046 O\n0.749733 0.500762 0.499949 O\n0.250281 0.506009 0.500018 O\n",
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"formula_full": "Sr4 Ca4 Mn5 Fe3 O24",
"formula_reduced": "Sr4Ca4Mn5(FeO8)3",
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"updated_at": "2021-11-28T01:38:18.598000Z",
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}
]
}