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{
"id": "jvasp-117003",
"created_at": "2022-09-04T14:38:47.741490Z",
"updated_at": "2022-09-04T14:38:47.741513Z",
"structure_string": "Sr1 Pr3 Fe4 O12\n1.0\n7.659663 -0.000000 0.000000\n0.000000 5.474863 0.004945\n-0.000000 -0.011676 5.412356\nSr Pr Fe O\n1 3 4 12\ndirect\n0.500000 0.496058 0.510387 Sr\n0.500000 0.004698 0.015033 Pr\n-0.000000 0.505266 0.485008 Pr\n-0.000000 0.000774 0.985904 Pr\n0.251888 0.498919 -0.000562 Fe\n0.747818 0.000727 0.500409 Fe\n0.748111 0.498919 -0.000562 Fe\n0.252181 0.000727 0.500409 Fe\n0.500000 0.954126 0.492626 O\n0.500000 0.559810 0.001894 O\n0.272163 0.257203 0.257744 O\n0.723176 0.229064 0.770352 O\n0.783937 0.737536 0.737132 O\n0.727837 0.257203 0.257744 O\n0.216063 0.737536 0.737132 O\n0.785208 0.763571 0.236057 O\n-0.000000 0.443922 -0.000697 O\n0.276824 0.229064 0.770352 O\n0.214791 0.763571 0.236057 O\n-0.000000 0.061292 0.507592 O\n",
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{
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"structure_string": "Ni4 Bi4 O12\n1.0\n5.371015 -0.079683 0.009254\n0.082226 5.553977 0.104801\n-0.015181 -0.143323 7.604876\nNi Bi O\n4 4 12\ndirect\n0.500000 0.000000 -0.000000 Ni\n0.000000 0.500000 -0.000000 Ni\n0.500001 0.000000 0.500000 Ni\n0.000001 0.500001 0.500000 Ni\n0.991078 0.056594 0.750006 Bi\n0.491076 0.443409 0.250011 Bi\n0.508925 0.556593 0.749989 Bi\n0.008924 0.943408 0.249994 Bi\n0.417618 0.977394 0.749998 O\n0.582384 0.022608 0.250002 O\n0.702645 0.294009 0.539354 O\n0.202646 0.205993 0.039352 O\n0.797356 0.794009 0.960648 O\n0.702665 0.293999 0.960632 O\n0.297337 0.706002 0.039367 O\n0.797339 0.794002 0.539371 O\n0.202663 0.206000 0.460629 O\n0.297356 0.705993 0.460646 O\n0.082383 0.477394 0.750001 O\n0.917619 0.522608 0.249999 O\n",
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{
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"created_at": "2022-09-04T14:37:10.927615Z",
"updated_at": "2022-09-04T14:37:10.927641Z",
"structure_string": "Cu4 Ge2 S6\n1.0\n6.450616 0.031214 1.035940\n1.617584 5.406402 3.215061\n0.031559 0.009430 6.528385\nCu Ge S\n4 2 6\ndirect\n0.139781 0.030798 0.168022 Cu\n0.140139 0.373206 0.496592 Cu\n0.639782 0.198820 0.831978 Cu\n0.640139 0.869797 0.503409 Cu\n0.121313 0.723458 0.824367 Ge\n0.621314 0.547824 0.175635 Ge\n0.512021 0.248922 0.496767 S\n0.012020 0.745688 0.503234 S\n0.513716 0.917164 0.169647 S\n0.013716 0.086811 0.830353 S\n0.008031 0.411534 0.166440 S\n0.508032 0.577973 0.833561 S\n",
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{
"id": "jvasp-63924",
"created_at": "2022-09-04T14:35:51.820077Z",
"updated_at": "2022-09-04T14:35:51.820105Z",
"structure_string": "Ba4 Mo1 Pd1\n1.0\n0.000000 4.841725 4.841725\n4.841725 0.000000 4.841725\n4.841725 4.841725 0.000000\nBa Mo Pd\n4 1 1\ndirect\n0.123766 0.625411 0.625411 Ba\n0.625411 0.625411 0.625411 Ba\n0.625411 0.123766 0.625411 Ba\n0.625411 0.625411 0.123766 Ba\n0.250000 0.250000 0.250000 Mo\n0.000000 0.000000 0.000000 Pd\n",
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"formula_full": "Ba4 Mo1 Pd1",
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"spacegroup": 216
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{
"id": "jvasp-110083",
"created_at": "2022-09-04T14:38:20.510314Z",
"updated_at": "2022-09-04T14:38:20.510326Z",
"structure_string": "La3 Mg3 Au3\n1.0\n7.854667 0.000000 0.000000\n-3.927334 6.802341 0.000000\n-0.000000 -0.000000 4.248734\nLa Mg Au\n3 3 3\ndirect\n0.585368 -0.000000 -0.000000 La\n0.000000 0.585368 -0.000000 La\n0.414633 0.414632 -0.000000 La\n0.237604 -0.000000 0.500000 Mg\n0.000000 0.237604 0.500000 Mg\n0.762397 0.762396 0.500000 Mg\n0.333334 0.666667 0.500000 Au\n0.666667 0.333333 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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"elements": [
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"density": 7.903885796560042,
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"formula_full": "La3 Mg3 Au3",
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{
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"created_at": "2022-09-04T14:37:04.700929Z",
"updated_at": "2022-09-04T14:37:04.700962Z",
"structure_string": "Te4 W3 Se2\n1.0\n3.484344 0.000000 0.000000\n-1.742172 3.017652 0.000000\n0.000000 0.000000 21.592010\nTe W Se\n4 3 2\ndirect\n0.666742 0.333484 -0.056116 Te\n0.666713 0.333427 0.578558 Te\n0.666713 0.333427 0.115407 Te\n0.666742 0.333484 0.750080 Te\n0.333402 0.666803 0.029638 W\n0.333402 0.666803 0.664327 W\n0.666519 0.333039 0.346982 W\n0.333183 0.666365 0.422445 Se\n0.333183 0.666365 0.271520 Se\n",
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"volume": 227.0300018744749,
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"formula_full": "Te4 W3 Se2",
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{
"id": "jvasp-109064",
"created_at": "2022-09-04T14:37:49.109573Z",
"updated_at": "2022-09-04T14:37:49.109597Z",
"structure_string": "Nd6 Au2\n1.0\n7.028024 0.000000 0.000000\n-3.514012 6.086447 0.000000\n-0.000000 -0.000000 5.307462\nNd Au\n6 2\ndirect\n0.176915 0.353830 0.250000 Nd\n0.646170 0.823085 0.250000 Nd\n0.176915 0.823085 0.250000 Nd\n0.823085 0.646170 0.750000 Nd\n0.353830 0.176915 0.750000 Nd\n0.823085 0.176915 0.750000 Nd\n0.333334 0.666667 0.750000 Au\n0.666666 0.333333 0.250000 Au\n",
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"volume": 227.03037887135642,
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"spacegroup": 194
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{
"id": "jvasp-9311",
"created_at": "2022-09-04T14:37:08.453070Z",
"updated_at": "2022-09-04T14:37:08.453081Z",
"structure_string": "Ba1 Ca1 Sn4 O8\n1.0\n3.051928 -5.286094 -0.000000\n3.051928 5.286094 -0.000000\n-0.000000 0.000000 7.036662\nBa Ca Sn O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.713297 Sn\n0.666667 0.333333 0.713297 Sn\n0.333333 0.666667 0.286703 Sn\n0.666667 0.333333 0.286703 Sn\n0.304074 0.304074 0.707072 O\n0.695926 0.000000 0.707072 O\n0.000000 0.695926 0.707072 O\n0.695926 0.695926 0.292927 O\n0.000000 0.304074 0.292927 O\n0.304074 0.000000 0.292927 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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"formula_full": "Ba1 Ca1 Sn4 O8",
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{
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"created_at": "2022-09-04T14:36:45.961761Z",
"updated_at": "2022-09-04T14:36:45.961784Z",
"structure_string": "Li4 Ni2 C4 O12\n1.0\n-0.000000 -7.937245 -2.782584\n-5.139959 -0.000000 -2.782584\n-0.000000 -0.000000 -5.565170\nLi Ni C O\n4 2 4 12\ndirect\n0.656339 0.911100 0.537644 Li\n0.156339 0.588900 0.698745 Li\n0.843662 0.411100 0.443984 Li\n0.343661 0.088900 0.105085 Li\n0.500000 0.500000 0.268215 Ni\n-0.000000 -0.000000 0.018216 Ni\n0.701033 0.943914 0.967284 C\n0.201033 0.556086 0.161200 C\n0.798968 0.443914 0.918317 C\n0.298967 0.056086 0.612233 C\n0.455844 0.137602 0.468575 O\n0.955844 0.362398 0.856177 O\n0.732261 0.428094 0.173979 O\n0.720187 0.535454 0.733741 O\n0.279814 0.464546 0.989382 O\n0.779814 0.035454 0.703929 O\n0.044156 0.637602 0.174419 O\n0.544156 0.862398 0.062020 O\n0.767740 0.928094 0.156239 O\n0.232261 0.071906 0.852074 O\n0.267740 0.571906 0.334333 O\n0.220187 -0.035454 0.519196 O\n",
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],
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"formula_full": "Li4 Ni2 C4 O12",
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{
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"created_at": "2022-09-04T14:38:51.138185Z",
"updated_at": "2022-09-04T14:38:51.138210Z",
"structure_string": "La3 Ir9\n1.0\n5.212636 0.014130 7.887644\n2.381343 4.636915 7.887644\n0.023070 0.014130 9.454416\nLa Ir\n3 9\ndirect\n0.860482 0.860481 0.860482 La\n0.139519 0.139518 0.139519 La\n0.000000 0.000000 0.000000 La\n0.421138 0.916262 0.421138 Ir\n0.421138 0.421137 0.916264 Ir\n0.916264 0.421137 0.421137 Ir\n0.578863 0.083737 0.578862 Ir\n0.578863 0.578862 0.083736 Ir\n0.083737 0.578862 0.578863 Ir\n0.668148 0.668147 0.668148 Ir\n0.331852 0.331852 0.331852 Ir\n0.500000 0.500000 0.500000 Ir\n",
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{
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"created_at": "2022-09-04T14:37:13.341848Z",
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"structure_string": "Ba3 Bi1 P1\n1.0\n6.100639 -0.000000 0.000000\n-0.000000 6.100639 -0.000000\n0.000000 -0.000000 6.100639\nBa Bi P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 P\n",
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},
{
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"created_at": "2022-09-04T14:35:51.758505Z",
"updated_at": "2022-09-04T14:35:51.758532Z",
"structure_string": "Ba4 Li1 Ir1\n1.0\n0.000000 4.842248 4.842248\n4.842248 -0.000000 4.842248\n4.842248 4.842248 -0.000000\nBa Li Ir\n4 1 1\ndirect\n0.129557 0.623481 0.623481 Ba\n0.623481 0.623481 0.623481 Ba\n0.623481 0.129557 0.623481 Ba\n0.623481 0.623481 0.129557 Ba\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Ir\n",
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"formula_full": "Ba4 Li1 Ir1",
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}
]
}