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{
"id": "jvasp-79744",
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"structure_string": "Ca2 P1 Au1\n1.0\n-9.308445 0.000034 -5.374176\n-9.955187 -0.010635 6.494355\n-6.416216 9.999084 0.364679\nCa P Au\n2 1 1\ndirect\n0.767871 0.000001 0.000001 Ca\n0.232131 0.999999 0.999998 Ca\n0.000000 0.000000 0.000000 P\n0.500000 0.000000 -0.000000 Au\n",
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{
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{
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{
"id": "jvasp-79526",
"created_at": "2022-09-04T14:36:42.463592Z",
"updated_at": "2022-09-04T14:36:42.463625Z",
"structure_string": "Ca2 O2\n1.0\n-2.345153 -2.345070 0.000000\n-2.345153 2.345070 0.000000\n2.345153 0.000000 -6.769702\nCa O\n2 2\ndirect\n0.094885 0.228186 0.323072 Ca\n0.771813 0.905115 0.676927 Ca\n0.268397 0.401694 0.670091 O\n0.598305 0.731602 0.329909 O\n",
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{
"id": "jvasp-114729",
"created_at": "2022-09-04T14:38:43.116359Z",
"updated_at": "2022-09-04T14:38:43.116378Z",
"structure_string": "Ca2 O1\n1.0\n3.568201 0.000000 1.021586\n0.000000 3.837986 0.000000\n1.722121 0.000000 7.340884\nCa O\n2 1\ndirect\n0.016739 0.000000 -0.084225 Ca\n0.032982 0.000000 0.400366 Ca\n0.350280 0.000000 0.083859 O\n",
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"elements": [
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"density": 1.70261609576667,
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"volume": 93.77909592276701,
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"formula_full": "Ca2 O1",
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{
"id": "jvasp-114727",
"created_at": "2022-09-04T14:38:43.053136Z",
"updated_at": "2022-09-04T14:38:43.053163Z",
"structure_string": "Ca2 O1\n1.0\n3.357774 0.725345 0.662328\n-1.028872 -3.338483 -0.051810\n0.021371 -1.373825 -5.928793\nCa O\n2 1\ndirect\n0.700732 0.007254 0.319923 Ca\n0.235029 0.473469 0.853780 Ca\n-0.032114 0.740369 0.086861 O\n",
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{
"id": "jvasp-27010",
"created_at": "2022-09-04T14:38:34.547985Z",
"updated_at": "2022-09-04T14:38:34.548014Z",
"structure_string": "Ca2 Ni8 Sn4\n1.0\n6.318246 -0.025831 -2.300357\n-3.213741 5.511464 -2.123247\n-0.015062 0.025831 6.723961\nCa Ni Sn\n2 8 4\ndirect\n-0.000000 0.250000 0.250000 Ca\n-0.000000 0.749999 0.749999 Ca\n0.500000 0.474883 0.694410 Ni\n0.219527 0.694410 0.194410 Ni\n0.780473 0.974883 0.474883 Ni\n0.780474 0.305589 0.805589 Ni\n0.219527 0.025116 0.525116 Ni\n0.500001 0.194411 0.974883 Ni\n0.500000 0.805589 0.025115 Ni\n0.500000 0.525116 0.305589 Ni\n0.500000 0.158428 0.341572 Sn\n0.183144 0.341571 0.841571 Sn\n0.816857 0.658428 0.158427 Sn\n0.500000 0.841571 0.658427 Sn\n",
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{
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"created_at": "2022-09-04T14:37:33.280129Z",
"updated_at": "2022-09-04T14:37:33.280150Z",
"structure_string": "Ca2 Ni8 O12\n1.0\n3.027488 0.000000 0.000000\n-1.513744 4.833384 0.000000\n0.000000 0.000000 14.709895\nCa Ni O\n2 8 12\ndirect\n0.659661 0.319321 0.750000 Ca\n0.340341 0.680679 0.250000 Ca\n0.862606 0.725213 0.041088 Ni\n0.410887 0.821770 0.632739 Ni\n0.137393 0.274785 0.958912 Ni\n0.589115 0.178229 0.367262 Ni\n0.862606 0.725213 0.458912 Ni\n0.137393 0.274785 0.541089 Ni\n0.589115 0.178229 0.132738 Ni\n0.410887 0.821770 0.867262 Ni\n0.776228 0.552455 0.577640 O\n0.223773 0.447545 0.422360 O\n0.223773 0.447545 0.077640 O\n0.776228 0.552455 0.922360 O\n0.042138 0.084274 0.651066 O\n0.499999 0.000000 0.500000 O\n0.957864 0.915726 0.151066 O\n0.042138 0.084274 0.848935 O\n0.499999 0.000000 0.000000 O\n0.332145 0.664290 0.750000 O\n0.957864 0.915726 0.348934 O\n0.667854 0.335709 0.250000 O\n",
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"elements": [
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"density": 5.72178758517767,
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"formula_full": "Ca2 Ni8 O12",
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{
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"created_at": "2022-09-04T14:35:52.915222Z",
"updated_at": "2022-09-04T14:35:52.915248Z",
"structure_string": "Ca2 Ni8 B2\n1.0\n5.036259 0.000000 -0.000000\n-2.518130 4.361528 0.000000\n0.000000 0.000000 6.861298\nCa Ni B\n2 8 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.794468 Ni\n0.000000 0.500000 0.794468 Ni\n0.333333 0.666667 0.500000 Ni\n0.666667 0.333333 0.500000 Ni\n0.500000 0.000000 0.794468 Ni\n0.000000 0.500000 0.205532 Ni\n0.500000 0.500000 0.205532 Ni\n0.500000 0.000000 0.205532 Ni\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n",
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"structure_string": "Ca2 Ni6 P8 O28\n1.0\n6.798103 0.000000 -2.742950\n0.000000 7.598341 0.000000\n-0.000646 0.000000 9.429043\nCa Ni P O\n2 6 8 28\ndirect\n0.500000 0.000000 -0.000000 Ca\n0.499999 0.500000 0.500000 Ca\n-0.000000 0.500000 0.500000 Ni\n0.184332 0.872500 0.524605 Ni\n0.000000 0.000000 0.000000 Ni\n0.815667 0.127500 0.475394 Ni\n0.184332 0.627500 0.024605 Ni\n0.815667 0.372500 0.975394 Ni\n0.595198 0.067843 0.702894 P\n0.404801 0.932157 0.297105 P\n0.595199 0.432157 0.202894 P\n0.404800 0.567842 0.797105 P\n0.119559 0.295179 0.808530 P\n0.119560 0.204821 0.308530 P\n0.880440 0.704821 0.191470 P\n0.880439 0.795179 0.691469 P\n0.972342 0.925275 0.612869 O\n0.027657 0.425275 0.887130 O\n0.027657 0.074725 0.387130 O\n0.972342 0.574725 0.112870 O\n0.008672 0.286499 0.634934 O\n0.991326 0.786499 0.865065 O\n0.830096 0.620891 0.605719 O\n0.388257 0.027181 0.695394 O\n0.169903 0.120891 0.894280 O\n0.169903 0.379109 0.394281 O\n0.830096 0.879109 0.105719 O\n0.273793 0.620400 0.629717 O\n0.726206 0.120401 0.870282 O\n0.726206 0.379599 0.370282 O\n0.273793 0.879599 0.129717 O\n0.619109 0.195648 0.586784 O\n0.008673 0.213501 0.134934 O\n0.380890 0.695648 0.913215 O\n0.619109 0.304351 0.086785 O\n0.672790 0.878017 0.675391 O\n0.327209 0.378018 0.824608 O\n0.327209 0.121982 0.324609 O\n0.672790 0.621982 0.175391 O\n0.388257 0.472819 0.195394 O\n0.611742 0.972819 0.304605 O\n0.611742 0.527181 0.804605 O\n0.380890 0.804351 0.413215 O\n0.991327 0.713501 0.365066 O\n",
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"structure_string": "Ca2 Ni4 O8\n1.0\n6.049463 -0.070728 0.026304\n2.963479 5.274353 0.026304\n3.025790 1.746941 4.941095\nCa Ni O\n2 4 8\ndirect\n0.125000 0.624999 0.625000 Ca\n0.625000 0.125000 0.625000 Ca\n0.991977 0.991977 0.008022 Ni\n0.258023 0.258023 0.241977 Ni\n0.625000 0.625000 0.124999 Ni\n0.625000 0.624999 0.625000 Ni\n0.399402 0.399402 0.338201 O\n0.414510 0.871848 0.356821 O\n0.399402 0.399401 0.862995 O\n0.871848 0.414509 0.356821 O\n0.378152 0.835490 0.893179 O\n0.835491 0.378151 0.893179 O\n0.850598 0.850598 0.387004 O\n0.850598 0.850597 0.911798 O\n",
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