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{
"id": "jvasp-43130",
"created_at": "2022-09-04T14:37:03.080026Z",
"updated_at": "2022-09-04T14:37:03.080053Z",
"structure_string": "Li4 Mn2 Ni4 O12\n1.0\n4.927291 0.075966 0.000000\n-2.410466 4.298095 0.000000\n0.000000 -0.000000 9.760346\nLi Mn Ni O\n4 2 4 12\ndirect\n0.138259 0.638260 0.750000 Li\n0.361740 0.861742 0.250000 Li\n0.638260 0.138260 0.750000 Li\n0.861741 0.361742 0.250000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500001 0.500000 Mn\n0.163742 0.836259 0.500000 Ni\n0.336258 0.663743 0.000000 Ni\n0.663742 0.336259 0.000000 Ni\n0.836258 0.163743 0.500000 Ni\n0.518672 0.181475 0.393788 O\n0.825129 0.825131 0.401245 O\n0.318526 0.981329 0.893788 O\n0.674871 0.674872 0.901245 O\n0.325129 0.325130 0.098756 O\n0.018672 0.681475 0.106212 O\n0.481328 0.818527 0.606213 O\n0.181474 0.518673 0.393788 O\n0.981328 0.318527 0.893788 O\n0.818526 0.481329 0.606213 O\n0.174871 0.174871 0.598756 O\n0.681474 0.018673 0.106212 O\n",
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{
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"structure_string": "Pr2 Ni3 P4\n1.0\n3.988517 0.000000 0.000000\n0.000000 3.988517 0.000000\n0.000000 0.000000 9.346150\nPr Ni P\n2 3 4\ndirect\n0.500000 0.000000 0.762531 Pr\n-0.000000 0.500000 0.237469 Pr\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n-0.000000 0.500000 0.879123 P\n0.500000 0.000000 0.377615 P\n0.500000 0.000000 0.120877 P\n-0.000000 0.500000 0.622385 P\n",
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{
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"created_at": "2022-09-04T14:38:09.014954Z",
"updated_at": "2022-09-04T14:38:09.014989Z",
"structure_string": "Li4 Mg1 Co3 O8\n1.0\n-1.621484 2.498140 4.873401\n0.000000 2.978240 -4.873401\n-4.968775 1.507052 -2.425743\nLi Mg Co O\n4 1 3 8\ndirect\n0.500000 -0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n-0.000000 -0.000001 0.500000 Li\n0.000000 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 -0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.000000 0.500000 -0.000000 Co\n0.738532 0.477063 0.784405 O\n0.726815 0.975958 0.774898 O\n0.249144 0.498287 0.774898 O\n0.249144 0.975958 0.774898 O\n0.750856 0.024042 0.225102 O\n0.750856 0.501712 0.225102 O\n0.273185 0.024041 0.225102 O\n0.261468 0.522937 0.215595 O\n",
"nsites": 16,
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"formula_full": "Li4 Mg1 Co3 O8",
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"formula_anonymous": "AB3C4D8",
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},
{
"id": "jvasp-118476",
"created_at": "2022-09-04T14:38:51.038347Z",
"updated_at": "2022-09-04T14:38:51.038377Z",
"structure_string": "H1 S1 O1\n1.0\n3.528899 0.000000 -0.000000\n-1.764450 3.056116 0.000000\n0.000000 -0.000000 2.753738\nH S O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.666667 0.333333 0.000000 S\n0.333334 0.666667 0.000000 O\n",
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},
{
"id": "jvasp-7917",
"created_at": "2022-09-04T14:36:45.375609Z",
"updated_at": "2022-09-04T14:36:45.375628Z",
"structure_string": "Co3 Sn2 S2\n1.0\n4.665787 -0.008925 2.689346\n1.549773 4.400892 2.689346\n-0.012631 -0.008925 5.385350\nCo Sn S\n3 2 2\ndirect\n0.500001 -0.000001 0.000000 Co\n-0.000000 0.500000 0.000001 Co\n0.000000 -0.000001 0.500000 Co\n0.500001 0.499999 0.500001 Sn\n0.000000 0.000000 0.000000 Sn\n0.719089 0.719086 0.719090 S\n0.280912 0.280911 0.280912 S\n",
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{
"id": "jvasp-94988",
"created_at": "2022-09-04T14:36:03.872107Z",
"updated_at": "2022-09-04T14:36:03.872132Z",
"structure_string": "Co3 Sn2 S2\n1.0\n4.665693 -0.009032 2.689116\n1.549641 4.400840 2.689116\n-0.012783 -0.009032 5.385153\nCo Sn S\n3 2 2\ndirect\n-0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.000000 0.499999 Co\n0.500000 0.500001 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.719089 0.719090 0.719090 S\n0.280910 0.280911 0.280911 S\n",
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{
"id": "jvasp-58320",
"created_at": "2022-09-04T14:37:37.149323Z",
"updated_at": "2022-09-04T14:37:37.149333Z",
"structure_string": "Na2 Al2 Si4 O12\n1.0\n5.141112 -0.003412 1.174615\n1.327749 6.249903 0.615891\n-0.002260 0.005397 6.418995\nNa Al Si O\n2 2 4 12\ndirect\n0.250000 0.699196 0.300804 Na\n0.750000 0.300804 0.699196 Na\n0.250000 0.093071 0.906929 Al\n0.750000 0.906929 0.093071 Al\n0.271600 0.196678 0.384717 Si\n0.728400 0.803323 0.615283 Si\n0.771600 0.384717 0.196678 Si\n0.228400 0.615283 0.803322 Si\n0.371615 0.032408 0.185437 O\n0.128385 0.814563 0.967592 O\n0.494151 0.346045 0.361985 O\n0.704693 0.625770 0.097033 O\n0.795306 0.902968 0.374230 O\n0.295306 0.374230 0.902967 O\n0.204693 0.097032 0.625770 O\n0.994150 0.361985 0.346045 O\n0.505849 0.653956 0.638015 O\n0.005849 0.638015 0.653955 O\n0.871615 0.185437 0.032408 O\n0.628384 0.967593 0.814563 O\n",
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"formula_full": "Na2 Al2 Si4 O12",
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"spacegroup": 15
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{
"id": "jvasp-11669",
"created_at": "2022-09-04T14:38:12.962435Z",
"updated_at": "2022-09-04T14:38:12.962454Z",
"structure_string": "Na4 W2 O8\n1.0\n5.604397 0.000000 3.235700\n1.868132 5.283876 3.235700\n0.000000 -0.000000 6.471400\nNa W O\n4 2 8\ndirect\n0.500000 -0.000000 0.500000 Na\n-0.000000 0.500000 0.500000 Na\n0.500000 0.500000 -0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.125000 0.125000 0.125000 W\n0.875000 0.875001 0.875000 W\n0.761048 0.761049 0.761048 O\n0.238952 0.238952 0.783143 O\n0.238952 0.783144 0.238952 O\n0.783143 0.238952 0.238952 O\n0.761048 0.216857 0.761048 O\n0.216857 0.761049 0.761048 O\n0.238952 0.238952 0.238952 O\n0.761048 0.761049 0.216857 O\n",
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"formula_full": "Na4 W2 O8",
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{
"id": "jvasp-61327",
"created_at": "2022-09-04T14:35:49.878879Z",
"updated_at": "2022-09-04T14:35:49.878911Z",
"structure_string": "Al8 Si4 O20\n1.0\n-5.622504 0.001797 0.005259\n1.387575 7.048319 0.000555\n-0.006300 -2.224932 -7.606578\nAl Si O\n8 4 20\ndirect\n0.041891 0.174821 0.795993 Al\n0.958110 0.825180 0.204008 Al\n0.549753 0.203377 0.801419 Al\n0.450247 0.796624 0.198582 Al\n0.859856 0.400557 0.113799 Al\n0.140144 0.599445 0.886202 Al\n0.335399 0.388159 0.582786 Al\n0.664601 0.611842 0.417215 Al\n0.206710 0.796427 0.564845 Si\n0.793290 0.203574 0.435156 Si\n0.310995 0.208894 0.168173 Si\n0.689005 0.791107 0.831828 Si\n0.371620 0.390878 0.353356 O\n0.138969 0.621342 0.130722 O\n0.861031 0.378660 0.869278 O\n0.929033 0.782502 0.945650 O\n0.070968 0.217499 0.054351 O\n0.435738 0.783364 0.435179 O\n0.564263 0.216637 0.564822 O\n0.628381 0.609124 0.646645 O\n0.166818 0.608153 0.652318 O\n0.744248 0.001167 0.774949 O\n0.454134 0.774912 0.954704 O\n0.545866 0.225089 0.045297 O\n0.965491 0.791519 0.446354 O\n0.034510 0.208482 0.553647 O\n0.319122 0.377630 0.815064 O\n0.255753 0.998834 0.225052 O\n0.256144 0.001865 0.731348 O\n0.743857 0.998136 0.268652 O\n0.833183 0.391848 0.347682 O\n0.680879 0.622371 0.184937 O\n",
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{
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"structure_string": "La1 B1 Pd3\n1.0\n4.411819 -0.000000 0.000000\n0.000000 4.411819 0.000000\n0.000000 0.000000 4.411819\nLa B Pd\n1 1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
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{
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{
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"structure_string": "Ni4 P2 O10\n1.0\n0.000000 5.327171 -0.000000\n2.663585 -2.663585 5.900111\n5.327171 0.000000 0.000000\nNi P O\n4 2 10\ndirect\n0.499999 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.499999 0.500000 0.500000 Ni\n0.124999 0.750000 0.125001 P\n0.875000 0.250000 0.875000 P\n0.805221 0.110440 0.189687 O\n0.300126 0.610440 0.194780 O\n0.375000 0.250000 0.375000 O\n0.810312 0.610440 0.194780 O\n0.194778 0.889560 0.300128 O\n0.805221 0.110440 0.699873 O\n0.699873 0.389560 0.805221 O\n0.189687 0.389560 0.805221 O\n0.624999 0.750000 0.625001 O\n0.194778 0.889560 0.810314 O\n",
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"formula_full": "Ni4 P2 O10",
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}
]
}