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{
"id": "jvasp-28978",
"created_at": "2022-09-04T14:37:31.144887Z",
"updated_at": "2022-09-04T14:37:31.144903Z",
"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.256000 0.000000 0.000000\n-1.628000 2.819787 0.000041\n0.000000 0.000317 34.027522\nMo W Se S\n2 2 4 4\ndirect\n0.333506 0.667012 0.473451 Mo\n0.666495 0.332990 0.278007 Mo\n0.333278 0.666557 0.088817 W\n0.666722 0.333445 0.662641 W\n0.333162 0.666326 0.327935 Se\n0.666839 0.333676 0.423523 Se\n0.666834 0.333667 0.523363 Se\n0.333166 0.666335 0.228095 Se\n0.333388 0.666778 0.708273 S\n0.666613 0.333224 0.043185 S\n0.666606 0.333212 0.134498 S\n0.333394 0.666790 0.616960 S\n",
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{
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"structure_string": "Sr2 Lu2 Cu2 Se6\n1.0\n4.048643 0.000000 0.000000\n-2.024321 6.745275 -0.000000\n0.000000 0.000000 10.394591\nSr Lu Cu Se\n2 2 2 6\ndirect\n0.248131 0.496263 0.250000 Sr\n0.751869 0.503738 0.750000 Sr\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.470448 0.940897 0.750000 Cu\n0.529552 0.059104 0.250000 Cu\n0.638342 0.276685 0.439661 Se\n0.078371 0.156742 0.750000 Se\n0.361658 0.723316 0.939661 Se\n0.638342 0.276685 0.060339 Se\n0.921629 0.843258 0.250000 Se\n0.361658 0.723316 0.560339 Se\n",
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{
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"created_at": "2022-09-04T14:37:33.190901Z",
"updated_at": "2022-09-04T14:37:33.190914Z",
"structure_string": "Na2 Nd4 Ir2 O12\n1.0\n0.000000 5.520517 0.000769\n5.988223 0.000000 0.000000\n0.000000 -5.383135 -7.955604\nNa Nd Ir O\n2 4 2 12\ndirect\n-0.000001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.775204 0.076055 0.252592 Nd\n0.224796 0.576055 0.247408 Nd\n0.775203 0.423944 0.752591 Nd\n0.224795 0.923944 0.747408 Nd\n0.500000 0.500000 -0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.149670 0.824626 0.447542 O\n0.850330 0.324627 0.052458 O\n0.615217 0.453730 0.234497 O\n0.384783 0.953730 0.265503 O\n0.384782 0.546269 0.765503 O\n0.270812 0.215672 0.934423 O\n0.729187 0.784327 0.065577 O\n0.270813 0.284327 0.434423 O\n0.149669 0.675373 0.947542 O\n0.729186 0.715672 0.565576 O\n0.615216 0.046270 0.734496 O\n0.850329 0.175373 0.552457 O\n",
"nsites": 20,
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"spacegroup": 14
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{
"id": "jvasp-10475",
"created_at": "2022-09-04T14:37:08.053580Z",
"updated_at": "2022-09-04T14:37:08.053600Z",
"structure_string": "K4 Nb2 Cu2 Se8\n1.0\n5.603387 0.000000 1.346528\n2.801693 6.717563 0.673265\n0.016425 -0.000000 12.263762\nK Nb Cu Se\n4 2 2 8\ndirect\n0.804821 0.750000 0.390357 K\n0.445179 0.750000 0.109643 K\n0.195180 0.250000 0.609643 K\n0.554822 0.250000 0.890357 K\n0.625001 0.750000 0.750000 Nb\n0.375000 0.250000 0.250000 Nb\n0.875001 0.250000 0.250000 Cu\n0.125001 0.750000 0.750000 Cu\n0.455343 0.460789 0.366604 Se\n0.178053 0.039211 0.366604 Se\n0.544658 0.539210 0.633395 Se\n0.217264 0.960789 0.866604 Se\n0.916133 0.539210 0.866604 Se\n0.821948 0.960789 0.633395 Se\n0.083868 0.460789 0.133395 Se\n0.782737 0.039211 0.133396 Se\n",
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{
"id": "jvasp-46842",
"created_at": "2022-09-04T14:37:33.136647Z",
"updated_at": "2022-09-04T14:37:33.136666Z",
"structure_string": "Li6 Cu4 Sb2 O12\n1.0\n2.786208 4.332438 0.046757\n-2.786208 4.332438 -0.046757\n-0.715419 0.000000 9.840391\nLi Cu Sb O\n6 4 2 12\ndirect\n0.315289 0.850079 0.998794 Li\n0.149921 0.684712 0.498794 Li\n0.903434 0.903434 0.750000 Li\n0.096566 0.096566 0.250000 Li\n0.850079 0.315289 0.501206 Li\n0.684712 0.149922 0.001206 Li\n-0.000000 0.500000 -0.000000 Cu\n0.584478 0.584479 0.750000 Cu\n0.415522 0.415522 0.250000 Cu\n0.500000 0.000000 0.500000 Cu\n0.755119 0.755119 0.250000 Sb\n0.244881 0.244882 0.750000 Sb\n0.703488 0.464923 0.130988 O\n0.568929 0.917342 0.851922 O\n0.296513 0.535077 0.869012 O\n0.082659 0.431072 0.351922 O\n0.984777 0.203781 0.886925 O\n0.464923 0.703488 0.369012 O\n0.796220 0.015223 0.386925 O\n0.203781 0.984778 0.613074 O\n0.535077 0.296513 0.630988 O\n0.015223 0.796220 0.113074 O\n0.917341 0.568929 0.648078 O\n0.431072 0.082659 0.148078 O\n",
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"formula_full": "Li6 Cu4 Sb2 O12",
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"spacegroup": 15
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{
"id": "jvasp-12649",
"created_at": "2022-09-04T14:37:20.011881Z",
"updated_at": "2022-09-04T14:37:20.011912Z",
"structure_string": "Ba2 Mn1 Mo1 O6\n1.0\n5.004593 -0.000000 2.889403\n1.668198 4.718375 2.889403\n-0.000000 -0.000000 5.778805\nBa Mn Mo O\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mo\n0.260545 0.739455 0.739456 O\n0.260545 0.739455 0.260544 O\n0.739456 0.260544 0.739456 O\n0.260544 0.260544 0.739456 O\n0.739456 0.260544 0.260544 O\n0.739456 0.739455 0.260544 O\n",
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{
"id": "jvasp-35168",
"created_at": "2022-09-04T14:37:33.878775Z",
"updated_at": "2022-09-04T14:37:33.878803Z",
"structure_string": "Li2 Be2 B2 O6\n1.0\n4.639841 0.001593 0.003013\n2.267852 4.114677 -0.015198\n1.826048 1.498429 5.352627\nLi Be B O\n2 2 2 6\ndirect\n0.745700 0.127963 0.663418 Li\n0.254299 0.872038 0.336582 Li\n0.360050 0.727304 0.841728 Be\n0.639949 0.272697 0.158271 Be\n0.072147 0.403006 0.767233 B\n0.927853 0.596994 0.232767 B\n0.332695 0.099758 0.759517 O\n0.667304 0.900242 0.240482 O\n0.124803 0.690483 0.706552 O\n0.875197 0.309517 0.293448 O\n0.744800 0.422385 0.837957 O\n0.255200 0.577616 0.162042 O\n",
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{
"id": "jvasp-28578",
"created_at": "2022-09-04T14:37:08.063347Z",
"updated_at": "2022-09-04T14:37:08.063367Z",
"structure_string": "Mo3 W1 Se4 S4\n1.0\n3.258855 0.000000 -0.000000\n-1.629428 2.822246 0.004591\n0.000000 -0.038025 25.685489\nMo W Se S\n3 1 4 4\ndirect\n0.333741 0.667483 0.005656 Mo\n0.332904 0.665811 0.495960 Mo\n0.666546 0.333094 0.255294 Mo\n0.666807 0.333617 0.746007 W\n0.333438 0.666879 0.812525 Se\n0.667129 0.334259 0.939551 Se\n0.667020 0.334042 0.071745 Se\n0.333512 0.667027 0.679507 Se\n0.333165 0.666330 0.315454 S\n0.666274 0.332550 0.435798 S\n0.666201 0.332404 0.556147 S\n0.333259 0.666523 0.195104 S\n",
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{
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"created_at": "2022-09-04T14:37:13.711821Z",
"updated_at": "2022-09-04T14:37:13.711845Z",
"structure_string": "Te2 W4 Se4 S2\n1.0\n3.347321 -0.000000 -0.000000\n-1.673661 2.898884 0.000056\n-0.000000 0.001668 36.133835\nTe W Se S\n2 4 4 2\ndirect\n0.666681 0.333362 0.415211 Te\n0.666636 0.333271 0.521012 Te\n0.333312 0.666624 0.098512 W\n0.333330 0.666661 0.468126 W\n0.666671 0.333340 0.274759 W\n0.666684 0.333369 0.661546 W\n0.333336 0.666672 0.321123 Se\n0.333351 0.666702 0.707858 Se\n0.333349 0.666700 0.228391 Se\n0.333364 0.666729 0.615158 Se\n0.666666 0.333331 0.056326 S\n0.666618 0.333235 0.140727 S\n",
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{
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"structure_string": "Te6 Mo3 W1 Se2\n1.0\n3.513608 0.000001 0.000000\n-1.756804 3.042887 0.000005\n0.000004 0.000073 39.268647\nTe Mo W Se\n6 3 1 2\ndirect\n0.333357 0.666715 0.704173 Te\n0.666639 0.333276 0.047480 Te\n0.666644 0.333288 0.422879 Te\n0.666645 0.333288 0.140646 Te\n0.666648 0.333296 0.516293 Te\n0.333356 0.666709 0.610723 Te\n0.333310 0.666618 0.094007 Mo\n0.333315 0.666628 0.469618 Mo\n0.666688 0.333377 0.281848 Mo\n0.666692 0.333385 0.657559 W\n0.333358 0.666715 0.322948 Se\n0.333352 0.666704 0.240575 Se\n",
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{
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{
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"created_at": "2022-09-04T14:37:07.801733Z",
"updated_at": "2022-09-04T14:37:07.801760Z",
"structure_string": "Li2 V2 P4 O14\n1.0\n6.249300 -0.289034 -0.077616\n-2.448185 5.928068 -0.013612\n-1.916273 -1.864212 7.359370\nLi V P O\n2 2 4 14\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.585665 0.308007 0.769024 V\n0.414337 0.691994 0.230976 V\n0.157638 0.430980 0.779461 P\n0.545522 0.771705 0.681828 P\n0.454480 0.228296 0.318172 P\n0.842363 0.569022 0.220539 P\n0.441367 0.006728 0.210370 O\n0.287296 0.312204 0.199216 O\n0.738665 0.435585 0.367010 O\n0.118075 0.646495 0.290342 O\n0.599682 0.794887 0.502557 O\n0.400320 0.205115 0.497443 O\n0.558633 -0.006728 0.789629 O\n0.261337 0.564416 0.632990 O\n0.712705 0.687797 0.800783 O\n0.790081 0.785174 0.237052 O\n0.209921 0.214827 0.762948 O\n0.292426 0.604762 0.967084 O\n0.881927 0.353506 0.709658 O\n0.707576 0.395239 0.032916 O\n",
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]
}