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{
"id": "jvasp-43643",
"created_at": "2022-09-04T14:36:05.341756Z",
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"structure_string": "Li2 Co1 Sn1 O4\n1.0\n5.369158 -0.135012 -0.000000\n2.228413 4.886743 0.000000\n-3.798785 -2.375866 2.961515\nLi Co Sn O\n2 1 1 4\ndirect\n0.250001 0.750000 0.500001 Li\n0.500000 0.500000 0.000000 Li\n0.750001 0.250000 0.500001 Co\n0.000000 0.000000 0.000000 Sn\n0.505052 0.005051 0.500001 O\n0.230427 0.230427 0.000000 O\n0.994950 0.494949 0.500001 O\n0.769573 0.769573 0.000000 O\n",
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{
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{
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"updated_at": "2022-09-04T14:38:09.004425Z",
"structure_string": "Al2 Si2 H4 O9\n1.0\n2.489025 4.509024 -0.810689\n-2.533301 4.508586 0.530071\n-0.032830 -0.013310 7.383734\nAl Si H O\n2 2 4 9\ndirect\n0.797284 0.194587 0.480701 Al\n0.126177 0.536975 0.478276 Al\n0.333419 0.343090 0.089783 Si\n0.675997 0.657704 0.091624 Si\n0.209901 0.920011 0.326398 H\n0.237743 0.108123 0.739534 H\n0.553175 0.456531 0.737920 H\n0.862247 0.769559 0.734072 H\n0.129953 0.206142 0.608602 O\n0.022221 0.919943 0.326182 O\n0.964183 0.570558 0.995244 O\n0.404829 0.303200 0.316037 O\n0.503668 0.495577 0.994971 O\n0.785440 0.541916 0.317525 O\n0.513697 0.435796 0.608262 O\n0.431603 0.024700 0.018856 O\n0.897175 0.818879 0.613104 O\n",
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"density_atomic": 0.10179994791424594,
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"formula_full": "Al2 Si2 H4 O9",
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{
"id": "jvasp-43448",
"created_at": "2022-09-04T14:37:09.180318Z",
"updated_at": "2022-09-04T14:37:09.180339Z",
"structure_string": "Al4 Cu4 O12\n1.0\n0.000000 4.691396 0.001200\n6.750099 0.000000 0.000000\n0.000000 -0.490699 -6.204032\nAl Cu O\n4 4 12\ndirect\n0.481694 0.199032 0.747306 Al\n0.518307 0.699032 0.752694 Al\n0.481694 0.300968 0.247306 Al\n0.518307 0.800968 0.252694 Al\n-0.000000 0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.695233 0.811266 0.998365 O\n0.695233 0.688734 0.498366 O\n0.660718 0.055734 0.330070 O\n0.660717 0.444266 0.830070 O\n0.339283 0.555734 0.169930 O\n0.149674 0.895588 0.258819 O\n0.304768 0.311266 0.501634 O\n0.304768 0.188734 0.001634 O\n0.850327 0.104412 0.741181 O\n0.149674 0.604412 0.758819 O\n0.339283 0.944266 0.669930 O\n0.850327 0.395588 0.241181 O\n",
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"elements": [
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"density": 4.683408984237602,
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{
"id": "jvasp-44219",
"created_at": "2022-09-04T14:38:10.684432Z",
"updated_at": "2022-09-04T14:38:10.684452Z",
"structure_string": "Li1 Cr1 Co2 O6\n1.0\n2.856904 0.000794 -0.000629\n-0.001836 5.834908 0.078192\n-1.426509 -1.548788 5.872254\nLi Cr Co O\n1 1 2 6\ndirect\n0.666671 0.833290 0.333308 Li\n0.666536 0.333311 0.333339 Cr\n0.337931 0.659813 0.675788 Co\n0.995482 0.006880 0.990883 Co\n0.506089 0.221281 0.012044 O\n0.174269 0.563762 0.348633 O\n0.158943 0.102881 0.318046 O\n0.838510 0.876526 0.676922 O\n0.827326 0.445417 0.654622 O\n0.494888 0.790167 0.989743 O\n",
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"elements": [
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"formula_full": "Li1 Cr1 Co2 O6",
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{
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"created_at": "2022-09-04T14:37:14.597392Z",
"updated_at": "2022-09-04T14:37:14.597418Z",
"structure_string": "Li2 Zr1 Cu1 O4\n1.0\n-2.101774 2.101774 4.447245\n2.101774 -2.101774 4.447245\n2.101774 2.101774 -4.447245\nLi Zr Cu O\n2 1 1 4\ndirect\n0.499999 0.499999 0.000000 Li\n0.250000 0.749999 0.499999 Li\n0.749999 0.250000 0.499999 Zr\n0.000000 0.000000 0.000000 Cu\n0.988902 0.488903 0.499999 O\n0.254446 0.254446 0.000000 O\n0.511096 0.011097 0.499999 O\n0.745553 0.745553 0.000000 O\n",
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"volume": 78.58199991545601,
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"formula_full": "Li2 Zr1 Cu1 O4",
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"formula_anonymous": "ABC2D4",
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{
"id": "jvasp-52605",
"created_at": "2022-09-04T14:37:08.924267Z",
"updated_at": "2022-09-04T14:37:08.924288Z",
"structure_string": "H8 O4\n1.0\n4.379160 0.000000 0.059872\n-2.189580 3.783386 -0.029936\n-0.023541 0.000000 7.113932\nH O\n8 4\ndirect\n0.294641 0.660475 0.671335 H\n0.430919 0.929939 0.951930 H\n0.430498 0.558325 0.954901 H\n0.414593 0.527203 0.486016 H\n0.634167 0.339526 0.171336 H\n0.500980 0.070062 0.451931 H\n0.872176 0.441676 0.454901 H\n0.887390 0.472798 -0.013984 H\n0.287156 0.653508 0.529788 O\n0.301427 0.678021 0.906025 O\n0.633650 0.346493 0.029788 O\n0.623409 0.321980 0.406026 O\n",
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"volume": 117.86933230432668,
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"formula_full": "H8 O4",
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{
"id": "jvasp-55508",
"created_at": "2022-09-04T14:38:32.876623Z",
"updated_at": "2022-09-04T14:38:32.876648Z",
"structure_string": "In4 Si4 O14\n1.0\n5.833274 0.000000 3.367843\n1.944424 5.499664 3.367843\n0.000000 0.000000 6.735685\nIn Si O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 -0.000000 -0.000000 In\n-0.000000 0.500000 0.000000 In\n0.000000 0.000000 0.500000 In\n0.499999 0.500000 0.500000 Si\n0.499999 0.500000 0.000000 Si\n-0.000000 0.500000 0.500000 Si\n0.500000 -0.000000 0.500000 Si\n0.571016 0.178983 0.178983 O\n0.178983 0.178983 0.571017 O\n0.571016 0.571016 0.178983 O\n0.428983 0.821016 0.821017 O\n0.125000 0.125000 0.125000 O\n0.571016 0.178983 0.571017 O\n0.178983 0.571016 0.178983 O\n0.428983 0.821016 0.428984 O\n0.428983 0.428983 0.821017 O\n0.821016 0.821016 0.428984 O\n0.821016 0.428983 0.821017 O\n0.178983 0.571016 0.571017 O\n0.874999 0.874999 0.875001 O\n0.821016 0.428983 0.428984 O\n",
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{
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"structure_string": "Mg1 N1\n1.0\n2.696985 -0.000000 0.000000\n-0.000000 2.698790 0.000000\n-0.000000 -0.000000 2.698790\nMg N\n1 1\ndirect\n0.005078 0.000000 0.000000 Mg\n0.504920 0.500000 0.500000 N\n",
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{
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"created_at": "2022-09-04T14:38:08.906937Z",
"updated_at": "2022-09-04T14:38:08.906947Z",
"structure_string": "Li8 Mn2 O4 F4\n1.0\n0.000000 5.974332 0.059100\n4.932059 0.000000 0.000000\n0.000000 -1.122285 -6.010755\nLi Mn O F\n8 2 4 4\ndirect\n0.166667 0.475999 0.920647 Li\n0.391894 0.992187 0.795473 Li\n0.608107 0.492187 0.704528 Li\n0.833335 0.975999 0.579355 Li\n0.166666 0.024001 0.420646 Li\n0.391894 0.507814 0.295473 Li\n0.608106 0.007814 0.204527 Li\n0.833334 0.524001 0.079354 Li\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.880372 0.691394 0.803861 O\n0.119629 0.191394 0.696140 O\n0.880371 0.808606 0.303861 O\n0.119629 0.308606 0.196140 O\n0.613972 0.241359 0.951178 F\n0.386029 0.741359 0.548823 F\n0.613972 0.258641 0.451177 F\n0.386029 0.758641 0.048823 F\n",
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{
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"created_at": "2022-09-04T14:37:04.185513Z",
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"structure_string": "Fe4 Ni2 O8\n1.0\n5.031116 -0.056614 2.903440\n1.649982 4.666854 2.857853\n-0.001106 -0.056614 5.808794\nFe Ni O\n4 2 8\ndirect\n0.993782 0.006219 0.993781 Fe\n0.256217 0.243783 0.256217 Fe\n0.625000 0.125001 0.624999 Fe\n0.624999 0.625001 0.624999 Fe\n0.124999 0.625000 0.625000 Ni\n0.625000 0.625000 0.125000 Ni\n0.392319 0.368849 0.392319 O\n0.393820 0.379065 0.848049 O\n0.392319 0.846512 0.392319 O\n0.848050 0.379065 0.393820 O\n0.401949 0.870936 0.856179 O\n0.857680 0.403489 0.857680 O\n0.856179 0.870936 0.401949 O\n0.857680 0.881152 0.857680 O\n",
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{
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"created_at": "2022-09-04T14:36:45.996608Z",
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"structure_string": "Li3 Cu2 O4\n1.0\n4.662854 -0.026094 2.255687\n3.842203 2.642039 2.255687\n0.132209 0.040664 7.186068\nLi Cu O\n3 2 4\ndirect\n0.351562 0.351561 0.879459 Li\n0.630980 0.630983 0.134181 Li\n0.990632 0.990635 0.507380 Li\n0.834474 0.834477 0.273946 Cu\n0.148119 0.148118 0.739347 Cu\n0.428948 0.428949 0.349698 O\n0.553497 0.553498 0.663878 O\n0.246856 0.246856 0.185912 O\n0.735921 0.735922 0.827206 O\n",
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"formula_full": "Li3 Cu2 O4",
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]
}