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{
"id": "jvasp-116976",
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"structure_string": "Sr2 Ni2 F8\n1.0\n7.413553 0.038507 0.000000\n-6.337936 3.846143 0.000000\n0.000000 0.000000 5.609420\nSr Ni F\n2 2 8\ndirect\n0.652962 0.347038 0.125005 Sr\n0.347038 0.652962 0.625005 Sr\n0.912454 0.087547 0.177519 Ni\n0.087545 0.912454 0.677519 Ni\n0.834890 0.165111 0.887849 F\n0.165109 0.834890 0.387849 F\n0.964149 0.035852 0.518974 F\n0.035850 0.964148 0.018974 F\n0.419179 0.580820 0.198774 F\n0.580820 0.419180 0.698774 F\n0.794919 0.205082 0.375778 F\n0.205080 0.794918 0.875778 F\n",
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{
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"structure_string": "Sr1 Ni2 As2\n1.0\n3.894642 -0.000000 -1.464359\n-0.550588 3.855526 -1.464359\n0.041036 0.047312 6.020459\nSr Ni As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.639797 0.639797 0.279594 As\n0.360203 0.360202 0.720405 As\n",
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{
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"created_at": "2022-09-04T14:38:08.467533Z",
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"structure_string": "Sr2 Ni10 As6\n1.0\n3.783427 -0.000000 0.000000\n-1.891714 6.148140 -0.000000\n0.000000 0.000000 11.958670\nSr Ni As\n2 10 6\ndirect\n0.164912 0.329824 0.750000 Sr\n0.835090 0.670176 0.250000 Sr\n0.452443 0.904884 0.855187 Ni\n0.807141 0.614278 0.567074 Ni\n0.547559 0.095116 0.144813 Ni\n0.807141 0.614278 0.932926 Ni\n0.452443 0.904884 0.644813 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.192861 0.385722 0.432926 Ni\n0.547559 0.095116 0.355187 Ni\n0.192861 0.385722 0.067074 Ni\n0.378398 0.756793 0.458966 As\n0.887479 0.774956 0.750000 As\n0.378398 0.756793 0.041034 As\n0.621604 0.243207 0.958966 As\n0.112523 0.225044 0.250000 As\n0.621604 0.243207 0.541034 As\n",
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"volume": 278.171087772624,
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"formula_full": "Sr2 Ni10 As6",
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{
"id": "jvasp-31210",
"created_at": "2022-09-04T14:37:36.154256Z",
"updated_at": "2022-09-04T14:37:36.154280Z",
"structure_string": "Sr2 Nd4 Se8\n1.0\n7.822247 0.002928 -0.005071\n-2.604656 7.375861 0.005071\n-2.612936 -3.686466 6.385148\nSr Nd Se\n2 4 8\ndirect\n0.124999 0.750000 0.875000 Sr\n0.375000 0.250000 0.625000 Sr\n0.250000 0.626843 0.376844 Nd\n0.750000 0.873157 0.123157 Nd\n0.623157 0.373157 0.250000 Nd\n0.876844 0.126843 0.750000 Nd\n0.143968 0.152483 0.144726 Se\n0.356031 0.500758 0.008515 Se\n0.644726 0.652482 0.643969 Se\n0.508515 0.000758 0.856032 Se\n0.507757 0.999242 0.355274 Se\n0.991485 0.847518 0.492243 Se\n0.855274 0.499242 0.007757 Se\n0.992243 0.347518 0.491485 Se\n",
"nsites": 14,
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"formula_full": "Sr2 Nd4 Se8",
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{
"id": "jvasp-13279",
"created_at": "2022-09-04T14:38:35.573363Z",
"updated_at": "2022-09-04T14:38:35.573390Z",
"structure_string": "Sr1 Nd5 S8\n1.0\n7.471232 0.000536 -0.000927\n-2.489906 7.044123 0.000927\n-2.491421 -3.521793 6.099926\nSr Nd S\n1 5 8\ndirect\n0.125000 0.750001 0.875001 Sr\n0.246906 0.624232 0.372541 Nd\n0.375000 0.250001 0.625000 Nd\n0.748309 0.875769 0.122675 Nd\n0.627459 0.374365 0.251690 Nd\n0.877325 0.125636 0.753094 Nd\n0.996593 0.853215 0.493724 S\n0.150470 0.154247 0.153520 S\n0.506276 0.002870 0.359490 S\n0.356620 0.497130 0.003406 S\n0.640509 0.646786 0.643380 S\n0.503778 0.003051 0.849531 S\n0.846480 0.496950 0.000727 S\n0.999273 0.345754 0.496222 S\n",
"nsites": 14,
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"elements": [
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"density": 5.5104451636690674,
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"volume": 321.03672971212444,
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"formula_full": "Sr1 Nd5 S8",
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{
"id": "jvasp-13351",
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"updated_at": "2022-09-04T14:36:56.598924Z",
"structure_string": "Sr2 Nd4 S8\n1.0\n7.514707 0.002818 -0.004881\n-2.502245 7.085872 0.004881\n-2.510215 -3.541527 6.134106\nSr Nd S\n2 4 8\ndirect\n0.125000 0.750000 0.875000 Sr\n0.375000 0.250000 0.625000 Sr\n0.250000 0.627474 0.377474 Nd\n0.622526 0.372526 0.250000 Nd\n0.750001 0.872526 0.122526 Nd\n0.877475 0.127474 0.750001 Nd\n0.990722 0.847265 0.491657 S\n0.509279 0.000935 0.856544 S\n0.143457 0.152735 0.144391 S\n0.356544 0.500935 0.009279 S\n0.644392 0.652735 0.643457 S\n0.508344 0.999065 0.355609 S\n0.855610 0.499065 0.008343 S\n0.991658 0.347265 0.490722 S\n",
"nsites": 14,
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"formula_full": "Sr2 Nd4 S8",
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},
{
"id": "jvasp-52312",
"created_at": "2022-09-04T14:37:08.306475Z",
"updated_at": "2022-09-04T14:37:08.306495Z",
"structure_string": "Sr2 Nd4 O8\n1.0\n0.000002 7.194142 -0.000000\n3.597070 -3.597072 5.087201\n7.194142 -0.000002 0.000000\nSr Nd O\n2 4 8\ndirect\n0.625000 0.750000 0.125000 Sr\n0.375000 0.250000 0.875000 Sr\n0.000000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.000000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.764448 0.028858 0.264412 O\n0.764413 0.471141 0.264410 O\n0.206729 0.471141 0.264448 O\n0.235590 0.971141 0.293271 O\n0.764410 0.028858 0.706728 O\n0.793271 0.528858 0.735551 O\n0.235587 0.528858 0.735590 O\n0.235551 0.971141 0.735587 O\n",
"nsites": 14,
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"density": 5.551305545025316,
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"formula_full": "Sr2 Nd4 O8",
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},
{
"id": "jvasp-15724",
"created_at": "2022-09-04T14:36:55.982119Z",
"updated_at": "2022-09-04T14:36:55.982139Z",
"structure_string": "Sr1 Nb1 O3\n1.0\n4.084495 -0.000000 0.000000\n-0.000000 4.084495 -0.000000\n0.000000 -0.000000 4.084495\nSr Nb O\n1 1 3\ndirect\n0.500001 0.500001 0.500001 Sr\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500001 0.000000 O\n0.000000 0.000000 0.500001 O\n0.500001 0.000000 0.000000 O\n",
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"formula_full": "Sr1 Nb1 O3",
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"spacegroup": 221
},
{
"id": "jvasp-5605",
"created_at": "2022-09-04T14:38:37.867035Z",
"updated_at": "2022-09-04T14:38:37.867066Z",
"structure_string": "Sr8 Nb4 O18\n1.0\n5.935592 0.000540 -0.000323\n2.967226 5.140568 -0.000176\n0.000920 0.000036 15.738575\nSr Nb O\n8 4 18\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333319 0.333346 0.138644 Sr\n0.666681 0.666656 0.861356 Sr\n0.999971 0.000026 0.249984 Sr\n0.333324 0.333340 0.361314 Sr\n0.666675 0.666661 0.638686 Sr\n-0.000000 0.000000 0.500000 Sr\n0.000029 0.999975 0.750016 Sr\n0.333343 0.333330 0.653573 Nb\n0.666657 0.666671 0.346427 Nb\n0.666657 0.666674 0.153559 Nb\n0.333342 0.333327 0.846441 Nb\n0.651812 0.270019 0.897988 O\n0.348187 0.729983 0.102013 O\n0.078172 0.651816 0.897978 O\n0.921828 0.348186 0.102022 O\n0.444248 0.964437 0.249990 O\n0.555752 0.035565 0.750011 O\n0.964413 0.591323 0.249987 O\n0.035586 0.408679 0.750013 O\n0.348192 0.729968 0.397974 O\n0.408720 0.555717 0.750012 O\n0.078161 0.651834 0.602048 O\n0.921838 0.348167 0.397952 O\n0.651807 0.270033 0.602026 O\n0.729975 0.921856 0.102024 O\n0.270021 0.078152 0.602040 O\n0.729978 0.921849 0.397960 O\n0.591280 0.444285 0.249988 O\n0.270025 0.078146 0.897976 O\n",
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{
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"updated_at": "2022-09-04T14:38:17.632579Z",
"structure_string": "Sr4 Nb8 O24\n1.0\n0.000000 7.759223 -0.003199\n5.647193 0.000000 0.000000\n0.000000 -0.055257 -11.207408\nSr Nb O\n4 8 24\ndirect\n0.249863 0.463197 0.039284 Sr\n0.750136 0.963197 0.460716 Sr\n0.750136 0.536802 0.960716 Sr\n0.249863 0.036802 0.539284 Sr\n0.479745 0.466936 0.356935 Nb\n0.479744 0.033064 0.856935 Nb\n0.520255 0.533063 0.643065 Nb\n0.520255 0.966936 0.143065 Nb\n0.992199 0.472933 0.355896 Nb\n0.992198 0.027067 0.855896 Nb\n0.007801 0.527067 0.644104 Nb\n0.007801 0.972933 0.144104 Nb\n0.036108 0.779282 0.973583 O\n0.948249 0.133603 0.289073 O\n0.051751 0.633603 0.210927 O\n0.464216 0.778459 0.973648 O\n0.535783 0.278460 0.526353 O\n0.535783 0.221540 0.026352 O\n0.464217 0.721540 0.473648 O\n0.036108 0.720717 0.473583 O\n0.963891 0.220718 0.026417 O\n0.963891 0.279282 0.526417 O\n0.445793 0.861889 0.711631 O\n0.748504 0.964617 0.853383 O\n0.554206 0.138111 0.288369 O\n0.445793 0.638111 0.211631 O\n0.251495 0.035383 0.146617 O\n0.748504 0.535383 0.353383 O\n0.948248 0.366397 0.789073 O\n0.251495 0.464617 0.646617 O\n0.751837 0.851224 0.127963 O\n0.248163 0.351224 0.372037 O\n0.248163 0.148776 0.872037 O\n0.751836 0.648776 0.627963 O\n0.554206 0.361889 0.788369 O\n0.051751 0.866397 0.710927 O\n",
"nsites": 36,
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"volume": 491.0852946050495,
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"formula_full": "Sr4 Nb8 O24",
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},
{
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"created_at": "2022-09-04T14:37:18.795275Z",
"updated_at": "2022-09-04T14:37:18.795301Z",
"structure_string": "Sr1 Nb6 O16\n1.0\n3.922420 0.000000 0.000000\n0.000000 8.576791 -3.209449\n0.000000 0.059500 9.157420\nSr Nb O\n1 6 16\ndirect\n0.500000 0.398505 0.601495 Sr\n0.000000 0.627398 0.999894 Nb\n0.000000 0.207842 0.792158 Nb\n0.000000 0.741519 0.621213 Nb\n0.000000 0.378787 0.258481 Nb\n0.000000 0.000105 0.372601 Nb\n0.000000 0.994219 0.005781 Nb\n0.000000 0.188423 0.557154 O\n0.000000 0.236760 0.014207 O\n0.000000 0.985793 0.763240 O\n0.500000 0.625761 0.001653 O\n0.000000 0.509916 0.490084 O\n0.500000 0.707334 0.633589 O\n0.500000 0.224469 0.775531 O\n0.500000 0.003802 0.996198 O\n0.000000 0.442846 0.811577 O\n0.000000 0.145646 0.238320 O\n0.000000 0.761680 0.854354 O\n0.000000 0.830456 0.463253 O\n0.000000 0.536747 0.169544 O\n0.000000 0.857235 0.142764 O\n0.500000 0.366411 0.292666 O\n0.500000 0.998346 0.374238 O\n",
"nsites": 23,
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},
{
"id": "jvasp-110510",
"created_at": "2022-09-04T14:38:39.972087Z",
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"structure_string": "Sr3 Nb1 O6\n1.0\n5.310626 -0.000000 3.066092\n1.770209 5.006907 3.066092\n-0.000000 -0.000000 6.132183\nSr Nb O\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750001 0.749999 Sr\n0.500000 0.500000 0.499999 Sr\n0.000000 0.000000 0.000000 Nb\n0.769844 0.230157 0.230156 O\n0.230157 0.769844 0.769842 O\n0.230157 0.769844 0.230156 O\n0.769844 0.230157 0.769842 O\n0.230157 0.230157 0.769843 O\n0.769844 0.769844 0.230156 O\n",
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"formula_full": "Sr3 Nb1 O6",
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}
]
}