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{
"id": "jvasp-16012",
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"updated_at": "2022-09-04T14:36:58.292557Z",
"structure_string": "Zr1 Cu1 F6\n1.0\n4.688819 0.139378 3.057098\n1.727158 4.361350 3.057098\n0.198690 0.139378 5.593870\nZr Cu F\n1 1 6\ndirect\n0.500000 0.500001 0.500000 Zr\n0.000000 0.000000 0.000000 Cu\n0.886806 0.614522 0.247776 F\n0.752224 0.113195 0.385479 F\n0.614521 0.247777 0.886805 F\n0.113194 0.385479 0.752224 F\n0.385479 0.752224 0.113194 F\n0.247776 0.886806 0.614521 F\n",
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"structure_string": "Zn2 H2 Cl2\n1.0\n3.253048 0.000000 -0.000000\n0.000000 3.253048 0.000000\n-0.000000 -0.000000 7.824261\nZn H Cl\n2 2 2\ndirect\n0.000000 0.500000 0.852596 Zn\n0.500000 0.000000 0.147404 Zn\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.500000 0.000000 0.681466 Cl\n0.000000 0.500000 0.318535 Cl\n",
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{
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"structure_string": "Rb3 Ir1 N6 O12\n1.0\n6.467427 -0.000000 3.733970\n2.155809 6.097548 3.733970\n0.000000 -0.000000 7.467941\nRb Ir N O\n3 1 6 12\ndirect\n0.750000 0.750000 0.749999 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ir\n0.808077 0.808076 0.191923 N\n0.191924 0.808076 0.191924 N\n0.191924 0.191924 0.808076 N\n0.808076 0.191924 0.808076 N\n0.191924 0.808076 0.808076 N\n0.808076 0.191924 0.191924 N\n0.410792 0.000000 0.589208 O\n0.000000 0.410792 0.589208 O\n0.000000 0.000000 0.589208 O\n0.000000 0.589208 -0.000000 O\n0.000000 0.589208 0.410792 O\n0.410792 0.000000 -0.000000 O\n0.000000 0.410792 -0.000000 O\n0.589209 0.000000 0.410791 O\n0.589209 0.410792 -0.000000 O\n0.410792 0.589208 -0.000000 O\n0.589209 0.000000 -0.000000 O\n0.000000 0.000000 0.410792 O\n",
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"formula_full": "Rb3 Ir1 N6 O12",
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"formula_anonymous": "AB3C6D12",
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{
"id": "jvasp-8372",
"created_at": "2022-09-04T14:37:04.445747Z",
"updated_at": "2022-09-04T14:37:04.445776Z",
"structure_string": "Ca2 Co1 O3\n1.0\n3.308088 -0.078075 0.474307\n0.082662 3.307977 0.474307\n0.716710 0.682711 7.144504\nCa Co O\n2 1 3\ndirect\n0.393433 0.393435 0.174229 Ca\n0.071795 0.071794 0.817422 Ca\n0.703672 0.703672 0.495829 Co\n0.895607 0.895608 0.179733 O\n0.579441 0.579442 0.811948 O\n0.290054 0.290054 0.495840 O\n",
"nsites": 6,
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"volume": 76.03348477376872,
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"formula_full": "Ca2 Co1 O3",
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{
"id": "jvasp-108584",
"created_at": "2022-09-04T14:37:57.869004Z",
"updated_at": "2022-09-04T14:37:57.869022Z",
"structure_string": "K2 Ag1 Bi1 Br6\n1.0\n6.885579 -0.000000 3.975391\n2.295193 6.491786 3.975391\n-0.000000 -0.000000 7.950782\nK Ag Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.746455 0.253545 0.253545 Br\n0.253545 0.253545 0.746455 Br\n0.253544 0.746456 0.746455 Br\n0.253544 0.746456 0.253545 Br\n0.746455 0.253545 0.746455 Br\n0.746455 0.746456 0.253544 Br\n",
"nsites": 10,
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"volume": 355.3976127346342,
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{
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"created_at": "2022-09-04T14:37:09.828706Z",
"updated_at": "2022-09-04T14:37:09.828727Z",
"structure_string": "Ca2 Co1 O3\n1.0\n3.310263 -0.076007 0.459926\n0.084833 3.310049 0.459926\n0.748609 0.713097 7.138132\nCa Co O\n2 1 3\ndirect\n0.393393 0.393394 0.174237 Ca\n0.071777 0.071777 0.817430 Ca\n0.703668 0.703668 0.495845 Co\n0.895605 0.895605 0.179712 O\n0.579446 0.579447 0.811938 O\n0.290108 0.290109 0.495840 O\n",
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{
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"created_at": "2022-09-04T14:37:29.956739Z",
"updated_at": "2022-09-04T14:37:29.956763Z",
"structure_string": "Li6 Fe4 O12\n1.0\n4.798278 0.000000 0.000000\n0.000000 4.788004 0.000000\n0.000000 0.000000 8.085022\nLi Fe O\n6 4 12\ndirect\n0.000000 0.500000 0.773313 Li\n0.000000 0.500000 0.066122 Li\n0.000000 0.000000 0.719132 Li\n0.500000 0.500000 0.219132 Li\n0.500000 0.000000 0.273313 Li\n0.500000 0.000000 0.566122 Li\n0.000000 0.000000 0.103183 Fe\n0.500000 0.500000 0.603183 Fe\n0.000000 0.500000 0.409495 Fe\n0.500000 0.000000 0.909495 Fe\n0.179409 0.293978 0.582448 O\n0.320591 0.793978 0.082448 O\n0.327564 0.705781 0.429208 O\n0.351229 0.756648 0.753561 O\n0.648771 0.243351 0.753561 O\n0.851230 0.743350 0.253561 O\n0.679409 0.206022 0.082448 O\n0.820592 0.706021 0.582448 O\n0.827565 0.794218 0.929207 O\n0.172436 0.205781 0.929207 O\n0.672436 0.294218 0.429208 O\n0.148771 0.256649 0.253561 O\n",
"nsites": 22,
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"elements": [
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"volume": 185.74670430058416,
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"formula_full": "Li6 Fe4 O12",
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"formula_anonymous": "A2B3C6",
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{
"id": "jvasp-42484",
"created_at": "2022-09-04T14:36:54.174008Z",
"updated_at": "2022-09-04T14:36:54.174029Z",
"structure_string": "Na2 Cr4 O8\n1.0\n-4.265716 4.265716 -0.000000\n4.265716 0.000000 4.265716\n4.265716 4.265716 -0.000000\nNa Cr O\n2 4 8\ndirect\n0.625001 0.250000 0.625001 Na\n0.375000 0.750001 0.375000 Na\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.810603 0.040401 0.229799 O\n0.770201 0.540402 0.189398 O\n0.229799 0.040401 0.229799 O\n0.229799 0.459599 0.229799 O\n0.770201 0.540402 0.770201 O\n0.770201 0.959599 0.770201 O\n0.229799 0.459599 0.810603 O\n0.189398 0.959599 0.770201 O\n",
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"formula_full": "Na2 Cr4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
},
{
"id": "jvasp-37390",
"created_at": "2022-09-04T14:37:49.624980Z",
"updated_at": "2022-09-04T14:37:49.624994Z",
"structure_string": "Sr1 Ga1 Si1 H1\n1.0\n2.094342 -3.627507 0.000000\n2.094342 3.627507 -0.000000\n0.000000 0.000000 4.987051\nSr Ga Si H\n1 1 1 1\ndirect\n0.000000 0.000000 0.997180 Sr\n0.333332 0.666667 0.550051 Ga\n0.666667 0.333332 0.442769 Si\n0.333332 0.666667 0.906901 H\n",
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{
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"created_at": "2022-09-04T14:38:33.464340Z",
"updated_at": "2022-09-04T14:38:33.464351Z",
"structure_string": "Si6 O12\n1.0\n4.568097 0.000105 -0.821579\n-0.332101 4.695044 -1.845923\n-0.009359 -0.030966 6.846603\nSi O\n6 12\ndirect\n0.670742 0.691040 0.673335 Si\n0.329259 0.308957 0.326664 Si\n0.750000 0.356627 -0.000000 Si\n0.170741 0.982292 0.673335 Si\n0.250000 0.643371 0.000000 Si\n0.829259 0.017705 0.326664 Si\n0.539201 0.547935 0.850587 O\n0.317768 0.656199 0.517086 O\n0.539699 0.036543 0.818977 O\n0.182232 0.139113 0.482913 O\n0.682232 0.343798 0.482913 O\n0.960301 0.217565 0.181022 O\n0.960800 0.697348 0.149412 O\n0.039699 0.782432 0.818978 O\n0.039200 0.302650 0.850587 O\n0.460301 0.963454 0.181022 O\n0.817768 0.860884 0.517086 O\n0.460800 0.452062 0.149412 O\n",
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{
"id": "jvasp-117787",
"created_at": "2022-09-04T14:38:49.673679Z",
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"structure_string": "I2 Br1\n1.0\n5.703309 0.000000 -0.000399\n0.000000 3.886129 0.000000\n-0.000580 0.000000 6.120553\nI Br\n2 1\ndirect\n-0.033381 0.000000 -0.033331 I\n-0.033250 0.000000 0.466683 I\n0.466631 0.000000 -0.033352 Br\n",
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{
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