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{
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{
"id": "mp-1208628",
"created_at": "2022-09-04T14:39:48.549387Z",
"structure_string": "Sr4 Zn4 F8\n1.0\n7.811946 0.000000 0.000000\n0.000000 7.811946 0.000000\n-3.905973 -3.905973 5.713719\nSr Zn F\n4 4 8\ndirect\n0.625000 0.875000 0.250000 Sr\n0.625000 0.375000 0.250000 Sr\n0.625000 0.375000 0.750000 Sr\n0.125000 0.375000 0.750000 Sr\n0.125000 0.375000 0.250000 Zn\n0.125000 0.875000 0.250000 Zn\n0.125000 0.875000 0.750000 Zn\n0.625000 0.875000 0.750000 Zn\n0.470373 0.161679 0.321278 F\n0.850905 0.159599 0.321278 F\n0.409599 0.220373 0.821278 F\n0.779627 0.588321 0.178722 F\n0.411679 0.600905 0.821278 F\n0.399095 0.590401 0.178722 F\n0.840401 0.529627 0.678722 F\n0.838321 0.149095 0.678722 F\n",
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"spacegroup": 141
},
{
"id": "mp-1208622",
"created_at": "2022-09-04T14:44:17.059300Z",
"structure_string": "Sr4 Zn4 F8\n1.0\n7.888889 0.000000 0.000000\n0.000000 7.888889 0.000000\n-3.944445 -3.944445 5.641641\nSr Zn F\n4 4 8\ndirect\n0.625000 0.875000 0.250000 Sr\n0.625000 0.375000 0.250000 Sr\n0.625000 0.375000 0.750000 Sr\n0.125000 0.375000 0.750000 Sr\n0.125000 0.375000 0.250000 Zn\n0.125000 0.875000 0.250000 Zn\n0.125000 0.875000 0.750000 Zn\n0.625000 0.875000 0.750000 Zn\n0.472693 0.159046 0.318191 F\n0.845498 0.159145 0.318191 F\n0.409145 0.222693 0.818191 F\n0.777307 0.590954 0.181809 F\n0.409046 0.595498 0.818191 F\n0.404502 0.590855 0.181809 F\n0.840855 0.527307 0.681809 F\n0.840954 0.154502 0.681809 F\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.6137989958616297,
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"volume": 351.10509977917314,
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"formula_full": "Sr4 Zn4 F8",
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"updated_at": "2021-11-28T01:36:28.862000Z",
"spacegroup": 227
},
{
"id": "mp-560864",
"created_at": "2022-09-04T14:47:19.593816Z",
"structure_string": "Sr4 Zn4 Ni4 P8 O32\n1.0\n-1.461634 6.347322 -2.431233\n-0.040486 -0.044489 9.363196\n10.742495 -0.067481 -2.189010\nSr Zn Ni P O\n4 4 4 8 32\ndirect\n0.798980 0.051165 0.124329 Sr\n0.798980 0.051165 0.624329 Sr\n0.201020 0.948835 0.375671 Sr\n0.201020 0.948835 0.875671 Sr\n0.384141 0.647233 0.494910 Zn\n0.384141 0.647233 0.994910 Zn\n0.615859 0.352767 0.005090 Zn\n0.615859 0.352767 0.505090 Zn\n0.852706 0.560593 0.819215 Ni\n0.147294 0.439407 0.680785 Ni\n0.852706 0.560593 0.319215 Ni\n0.147294 0.439407 0.180785 Ni\n0.424390 0.236578 0.197888 P\n0.424390 0.236578 0.697888 P\n0.575610 0.763422 0.302112 P\n0.575610 0.763422 0.802112 P\n0.024026 0.302393 0.421445 P\n0.024026 0.302393 0.921445 P\n0.975974 0.697607 0.078555 P\n0.975974 0.697607 0.578555 P\n0.554331 0.892192 0.406126 O\n0.554331 0.892192 0.906126 O\n0.445669 0.107808 0.093874 O\n0.445669 0.107808 0.593874 O\n0.474706 0.209228 0.332441 O\n0.474706 0.209228 0.832441 O\n0.525294 0.790772 0.167559 O\n0.525294 0.790772 0.667559 O\n0.798342 0.761866 0.329453 O\n0.798342 0.761866 0.829453 O\n0.201658 0.238134 0.170547 O\n0.201658 0.238134 0.670547 O\n0.115399 0.695599 0.476301 O\n0.115399 0.695599 0.976301 O\n0.884601 0.304401 0.023699 O\n0.884601 0.304401 0.523699 O\n0.748203 0.578151 0.497932 O\n0.748203 0.578151 0.997932 O\n0.251797 0.421849 0.002068 O\n0.251797 0.421849 0.502068 O\n0.996779 0.867123 0.131028 O\n0.996779 0.867123 0.631028 O\n0.003221 0.132877 0.368972 O\n0.003221 0.132877 0.868972 O\n0.591571 0.398301 0.188688 O\n0.591571 0.398301 0.688688 O\n0.408429 0.601699 0.311312 O\n0.408429 0.601699 0.811312 O\n0.953816 0.368921 0.310622 O\n0.953816 0.368921 0.810622 O\n0.046184 0.631079 0.189378 O\n0.046184 0.631079 0.689378 O\n",
"nsites": 52,
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"elements": [
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"chemical_system": "Ni-O-P-Sr-Zn",
"density": 4.197205263084927,
"density_atomic": 0.08180697603244916,
"volume": 635.6426129157242,
"volume_molar": 7.3614024769859325,
"formula_full": "Sr4 Zn4 Ni4 P8 O32",
"formula_reduced": "SrZnNi(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -372.36734787,
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"updated_at": "2021-11-28T01:38:07.991000Z",
"spacegroup": 2
},
{
"id": "mp-5637",
"created_at": "2022-09-04T14:44:03.365160Z",
"structure_string": "Sr4 Zn4 O8\n1.0\n3.374811 0.000000 0.000000\n0.000000 5.917864 0.000000\n0.000000 0.000000 11.457474\nSr Zn O\n4 4 8\ndirect\n0.250000 0.815693 0.867618 Sr\n0.750000 0.184307 0.132382 Sr\n0.250000 0.315693 0.632382 Sr\n0.750000 0.684307 0.367618 Sr\n0.750000 0.299770 0.870433 Zn\n0.750000 0.799770 0.629567 Zn\n0.250000 0.700230 0.129567 Zn\n0.250000 0.200230 0.370433 Zn\n0.250000 0.735802 0.539890 O\n0.750000 0.264198 0.460110 O\n0.250000 0.235802 0.960110 O\n0.750000 0.764198 0.039890 O\n0.250000 0.944836 0.259540 O\n0.750000 0.555164 0.759540 O\n0.250000 0.444836 0.240460 O\n0.750000 0.055164 0.740460 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "O-Sr-Zn",
"density": 5.370846708193434,
"density_atomic": 0.0699224546544917,
"volume": 228.82491867685292,
"volume_molar": 8.612599185422258,
"formula_full": "Sr4 Zn4 O8",
"formula_reduced": "SrZnO2",
"formula_anonymous": "ABC2",
"energy": -90.3488871,
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"updated_at": "2021-11-28T01:36:19.405000Z",
"spacegroup": 62
},
{
"id": "mp-558616",
"created_at": "2022-09-04T14:43:59.421456Z",
"structure_string": "Sr4 Zn4 P8 O28\n1.0\n8.314388 0.000000 0.000000\n0.000000 5.388335 0.000000\n0.000000 5.337736 12.942666\nSr Zn P O\n4 4 8 28\ndirect\n0.661240 0.009071 0.279092 Sr\n0.161240 0.990929 0.220908 Sr\n0.338760 0.990929 0.720908 Sr\n0.838760 0.009071 0.779092 Sr\n0.652818 0.722549 0.604710 Zn\n0.347182 0.277451 0.395290 Zn\n0.152818 0.277451 0.895290 Zn\n0.847182 0.722549 0.104710 Zn\n0.964371 0.417032 0.334431 P\n0.035629 0.582968 0.665569 P\n0.801606 0.335194 0.980054 P\n0.198394 0.664806 0.019946 P\n0.301606 0.664806 0.519946 P\n0.698394 0.335194 0.480054 P\n0.535629 0.417032 0.834431 P\n0.464371 0.582968 0.165569 P\n0.404068 0.727527 0.600150 O\n0.384924 0.680970 0.051328 O\n0.880367 0.680328 0.265877 O\n0.314457 0.886728 0.411431 O\n0.640365 0.519378 0.152232 O\n0.058886 0.808111 0.704924 O\n0.904068 0.272473 0.899850 O\n0.615076 0.319030 0.948672 O\n0.332384 0.378353 0.525470 O\n0.185543 0.886728 0.911431 O\n0.167616 0.378353 0.025470 O\n0.359635 0.480622 0.847768 O\n0.941114 0.191889 0.295076 O\n0.619633 0.680328 0.765877 O\n0.595932 0.272473 0.399850 O\n0.115076 0.680970 0.551328 O\n0.380367 0.319672 0.234123 O\n0.685543 0.113272 0.588569 O\n0.814457 0.113272 0.088569 O\n0.140365 0.480622 0.347768 O\n0.119633 0.319672 0.734123 O\n0.859635 0.519378 0.652232 O\n0.095932 0.727527 0.100150 O\n0.884924 0.319030 0.448672 O\n0.667616 0.621647 0.474530 O\n0.558886 0.191889 0.795076 O\n0.441114 0.808111 0.204924 O\n0.832384 0.621647 0.974530 O\n",
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"formula_full": "Sr4 Zn4 P8 O28",
"formula_reduced": "SrZnP2O7",
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"energy": -318.89012136,
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"updated_at": "2021-11-28T01:36:22.635000Z",
"spacegroup": 14
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{
"id": "mp-12275",
"created_at": "2022-09-04T14:42:42.784048Z",
"structure_string": "Sr4 Zn4 Sb8\n1.0\n4.432209 0.000000 0.000000\n0.000000 4.468125 0.000000\n0.000000 0.000000 23.060837\nSr Zn Sb\n4 4 8\ndirect\n0.250000 0.771880 0.615972 Sr\n0.750000 0.228120 0.384028 Sr\n0.750000 0.271880 0.884028 Sr\n0.250000 0.728120 0.115972 Sr\n0.250000 0.275306 0.750023 Zn\n0.750000 0.724694 0.249977 Zn\n0.750000 0.775306 0.749977 Zn\n0.250000 0.224694 0.250023 Zn\n0.250000 0.224255 0.001128 Sb\n0.750000 0.775745 0.998872 Sb\n0.750000 0.724255 0.498872 Sb\n0.250000 0.275745 0.501128 Sb\n0.250000 0.725794 0.323230 Sb\n0.750000 0.274206 0.676770 Sb\n0.750000 0.225794 0.176770 Sb\n0.250000 0.774206 0.823230 Sb\n",
"nsites": 16,
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"elements": [
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"volume": 456.689063773795,
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"formula_full": "Sr4 Zn4 Sb8",
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},
{
"id": "mp-1179023",
"created_at": "2022-09-04T14:40:19.093396Z",
"structure_string": "Sr4 Zn4 Sb8\n1.0\n4.443727 0.000000 0.000000\n0.000000 4.485827 0.000000\n0.000000 0.000000 23.049712\nSr Zn Sb\n4 4 8\ndirect\n0.250000 0.771552 0.615823 Sr\n0.750000 0.228448 0.384177 Sr\n0.750000 0.271552 0.884177 Sr\n0.250000 0.728448 0.115823 Sr\n0.250000 0.275121 0.750001 Zn\n0.750000 0.724879 0.249999 Zn\n0.750000 0.775121 0.749999 Zn\n0.250000 0.224879 0.250001 Zn\n0.250000 0.216038 0.001078 Sb\n0.750000 0.783962 0.998922 Sb\n0.750000 0.716038 0.498922 Sb\n0.250000 0.283962 0.501078 Sb\n0.250000 0.726124 0.323529 Sb\n0.750000 0.273876 0.676471 Sb\n0.750000 0.226124 0.176471 Sb\n0.250000 0.773876 0.823529 Sb\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Sb-Sr-Zn",
"density": 5.732585668537391,
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"volume": 459.4681314124479,
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"formula_full": "Sr4 Zn4 Sb8",
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"energy": -55.39029953,
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"updated_at": "2021-11-28T01:34:55.596000Z",
"spacegroup": 62
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{
"id": "mp-555691",
"created_at": "2022-09-04T14:42:23.111975Z",
"structure_string": "Sr4 Zn4 Se8 O24\n1.0\n15.172889 0.000000 0.000000\n0.000000 4.580234 0.000000\n0.000000 3.690421 9.492926\nSr Zn Se O\n4 4 8 24\ndirect\n0.116664 0.287537 0.459221 Sr\n0.383336 0.287537 0.959221 Sr\n0.883336 0.712463 0.540779 Sr\n0.616664 0.712463 0.040779 Sr\n0.848680 0.507971 0.222665 Zn\n0.651320 0.507971 0.722665 Zn\n0.348680 0.492029 0.277335 Zn\n0.151320 0.492029 0.777335 Zn\n0.302352 0.640255 0.563508 Se\n0.005202 0.973282 0.779461 Se\n0.802352 0.359745 0.936492 Se\n0.197648 0.640255 0.063508 Se\n0.994798 0.026718 0.220539 Se\n0.494798 0.973282 0.279461 Se\n0.505202 0.026718 0.720539 Se\n0.697648 0.359745 0.436492 Se\n0.810063 0.273711 0.426128 O\n0.187527 0.371573 0.228822 O\n0.980190 0.401837 0.220482 O\n0.790466 0.593662 0.038511 O\n0.310063 0.726289 0.073872 O\n0.534324 0.163281 0.110526 O\n0.812473 0.628427 0.771178 O\n0.034324 0.836719 0.389474 O\n0.465676 0.836719 0.889474 O\n0.383449 0.079664 0.256503 O\n0.019810 0.598163 0.779518 O\n0.709534 0.593662 0.538511 O\n0.965676 0.163281 0.610526 O\n0.689937 0.273711 0.926128 O\n0.189937 0.726289 0.573872 O\n0.480190 0.598163 0.279518 O\n0.519810 0.401837 0.720482 O\n0.209534 0.406338 0.961489 O\n0.116551 0.079664 0.756503 O\n0.616551 0.920336 0.743497 O\n0.312473 0.371573 0.728822 O\n0.883449 0.920336 0.243497 O\n0.290466 0.406338 0.461489 O\n0.687527 0.628427 0.271178 O\n",
"nsites": 40,
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"elements": [
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"volume": 659.7145193894412,
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"formula_full": "Sr4 Zn4 Se8 O24",
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},
{
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},
{
"id": "mp-1190711",
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"structure_string": "Sr4 Zn6 Au12\n1.0\n7.806930 -4.283252 0.000000\n7.806930 4.283252 0.000000\n5.456935 0.000000 7.036779\nSr Zn Au\n4 6 12\ndirect\n0.907594 0.907594 0.907594 Sr\n0.407594 0.407594 0.407594 Sr\n0.092406 0.092406 0.092406 Sr\n0.592406 0.592406 0.592406 Sr\n0.557300 0.750000 0.942700 Zn\n0.942700 0.557300 0.750000 Zn\n0.750000 0.942700 0.557300 Zn\n0.442700 0.250000 0.057300 Zn\n0.057300 0.442700 0.250000 Zn\n0.250000 0.057300 0.442700 Zn\n0.479285 0.863353 0.207057 Au\n0.207057 0.479285 0.863353 Au\n0.863353 0.207057 0.479285 Au\n0.707057 0.363353 0.979285 Au\n0.979285 0.707057 0.363353 Au\n0.363353 0.979285 0.707057 Au\n0.520715 0.136647 0.792943 Au\n0.792943 0.520715 0.136647 Au\n0.136647 0.792943 0.520715 Au\n0.292943 0.636647 0.020715 Au\n0.020715 0.292943 0.636647 Au\n0.636647 0.020715 0.292943 Au\n",
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},
{
"id": "mp-1194862",
"created_at": "2022-09-04T14:44:15.487470Z",
"structure_string": "Sr4 Zn6 Te4 P4 O28\n1.0\n7.979779 0.000000 0.000000\n0.000000 5.295466 0.000000\n0.000000 0.087386 15.531802\nSr Zn Te P O\n4 6 4 4 28\ndirect\n0.448344 0.498828 0.203014 Sr\n0.948344 0.501172 0.296986 Sr\n0.551656 0.501172 0.796986 Sr\n0.051656 0.498828 0.703014 Sr\n0.107636 0.008472 0.117161 Zn\n0.607636 0.991528 0.382839 Zn\n0.892364 0.991528 0.882839 Zn\n0.392364 0.008472 0.617161 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.228174 0.485724 0.992299 Te\n0.728174 0.514276 0.507701 Te\n0.771826 0.514276 0.007701 Te\n0.271826 0.485724 0.492299 Te\n0.235073 0.046429 0.307264 P\n0.735073 0.953571 0.192736 P\n0.764927 0.953571 0.692736 P\n0.264927 0.046429 0.807264 P\n0.182811 0.199576 0.223783 O\n0.682811 0.800424 0.276217 O\n0.817189 0.800424 0.776217 O\n0.317189 0.199576 0.723783 O\n0.260328 0.747189 0.075291 O\n0.760328 0.252811 0.424709 O\n0.739672 0.252811 0.924709 O\n0.239672 0.747189 0.575291 O\n0.398202 0.294754 0.053725 O\n0.898202 0.705246 0.446275 O\n0.601798 0.705246 0.946275 O\n0.101798 0.294754 0.553725 O\n0.410190 0.157778 0.330538 O\n0.910190 0.842222 0.169462 O\n0.589810 0.842222 0.669462 O\n0.089810 0.157778 0.830538 O\n0.106730 0.117907 0.377831 O\n0.606730 0.882093 0.122169 O\n0.893270 0.882093 0.622169 O\n0.393270 0.117907 0.877831 O\n0.238164 0.760108 0.289960 O\n0.738164 0.239892 0.210040 O\n0.761836 0.239892 0.710040 O\n0.261836 0.760108 0.789960 O\n0.048886 0.288492 0.039879 O\n0.548886 0.711508 0.460121 O\n0.951114 0.711508 0.960121 O\n0.451114 0.288492 0.539879 O\n",
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{
"id": "mp-13365",
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]
}