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{
"id": "jvasp-45993",
"created_at": "2022-09-04T14:38:07.488337Z",
"updated_at": "2022-09-04T14:38:07.488357Z",
"structure_string": "Rb12 Sb4 O12\n1.0\n8.716388 -0.000000 0.000000\n-0.000000 8.716388 -0.000000\n-0.000000 -0.000000 8.716388\nRb Sb O\n12 4 12\ndirect\n0.025915 0.025915 0.025915 Rb\n0.213892 0.286108 0.713892 Rb\n0.217681 0.717682 0.782319 Rb\n0.282319 0.282319 0.282319 Rb\n0.286108 0.713892 0.213892 Rb\n0.474085 0.974085 0.525915 Rb\n0.525915 0.474085 0.974085 Rb\n0.713892 0.213892 0.286108 Rb\n0.717682 0.782319 0.217681 Rb\n0.782319 0.217681 0.717682 Rb\n0.786108 0.786108 0.786108 Rb\n0.974085 0.525915 0.474085 Rb\n0.987266 0.487266 0.012735 Sb\n0.512735 0.512735 0.512735 Sb\n0.487266 0.012735 0.987266 Sb\n0.012735 0.987266 0.487266 Sb\n0.006186 0.209400 0.444224 O\n0.055776 0.993815 0.709400 O\n0.209400 0.444224 0.006186 O\n0.290600 0.555776 0.506186 O\n0.444224 0.006186 0.209400 O\n0.493814 0.790601 0.944224 O\n0.506186 0.290600 0.555776 O\n0.555776 0.506186 0.290600 O\n0.709400 0.055776 0.993815 O\n0.790601 0.944224 0.493814 O\n0.944224 0.493814 0.790601 O\n0.993815 0.709400 0.055776 O\n",
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{
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"structure_string": "Rb1 Na2 As1 F6\n1.0\n5.660146 -0.000000 3.267887\n1.886715 5.336437 3.267887\n-0.000000 -0.000000 6.535774\nRb Na As F\n1 2 1 6\ndirect\n0.500001 0.500000 0.500000 Rb\n0.750001 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 As\n0.777987 0.222014 0.222014 F\n0.222014 0.222014 0.777986 F\n0.222015 0.777987 0.777986 F\n0.222015 0.777987 0.222014 F\n0.777987 0.222014 0.777986 F\n0.777987 0.777987 0.222014 F\n",
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"density_atomic": 0.050655190538478584,
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"formula_full": "Rb1 Na2 As1 F6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-42941",
"created_at": "2022-09-04T14:38:07.494982Z",
"updated_at": "2022-09-04T14:38:07.495008Z",
"structure_string": "Ti1 Sn1 O4\n1.0\n5.841617 0.417052 0.000000\n2.931570 5.069943 0.000000\n-4.386594 -2.743497 2.743983\nTi Sn O\n1 1 4\ndirect\n0.750001 0.249999 0.499999 Ti\n0.000000 0.000000 0.000000 Sn\n0.556049 0.056048 0.499999 O\n0.207655 0.207654 -0.000000 O\n0.943952 0.443950 0.499999 O\n0.792347 0.792345 -0.000000 O\n",
"nsites": 6,
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"volume": 77.91278524969064,
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"formula_full": "Ti1 Sn1 O4",
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"formula_anonymous": "ABC4",
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"spacegroup": 119
},
{
"id": "jvasp-46898",
"created_at": "2022-09-04T14:38:07.500301Z",
"updated_at": "2022-09-04T14:38:07.500314Z",
"structure_string": "Li2 V1 O1 F5\n1.0\n-3.175791 -4.331928 -0.148119\n3.175791 -4.331928 -0.148119\n-3.175791 0.104215 4.333206\nLi V O F\n2 1 1 5\ndirect\n0.506844 0.244439 0.751285 Li\n0.506845 0.741871 0.248716 Li\n0.008095 -0.008095 -0.000000 V\n0.266247 0.733754 -0.000000 O\n0.280616 0.019723 0.699661 F\n0.679937 0.019723 0.300340 F\n0.956769 0.337805 0.294573 F\n0.956769 0.748658 0.705427 F\n0.678006 0.321995 -0.000000 F\n",
"nsites": 9,
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"density_atomic": 0.0755487561605389,
"volume": 119.12836765803613,
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"formula_full": "Li2 V1 O1 F5",
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{
"id": "jvasp-12708",
"created_at": "2022-09-04T14:38:07.506763Z",
"updated_at": "2022-09-04T14:38:07.506792Z",
"structure_string": "Mg2 Mo2 H4 O10\n1.0\n5.667948 0.009181 -0.026057\n-1.640674 5.612098 -0.005940\n-0.595630 -1.504828 6.727520\nMg Mo H O\n2 2 4 10\ndirect\n0.640799 0.708007 0.194465 Mg\n0.359202 0.291992 0.805535 Mg\n0.745062 0.879049 0.748405 Mo\n0.254939 0.120951 0.251595 Mo\n0.079249 0.597806 0.192478 H\n0.920752 0.402194 0.807521 H\n0.873208 0.351774 0.202004 H\n0.126793 0.648226 0.797996 H\n0.077603 0.967405 0.790143 O\n0.922398 0.032594 0.209857 O\n0.637999 0.767656 0.494474 O\n0.362002 0.232343 0.505526 O\n0.379097 0.359951 0.122809 O\n0.354226 0.862266 0.169724 O\n0.620904 0.640049 0.877190 O\n0.090178 0.469749 0.777870 O\n0.645775 0.137734 0.830276 O\n0.909823 0.530250 0.222130 O\n",
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"density_atomic": 0.08415324691806408,
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"formula_full": "Mg2 Mo2 H4 O10",
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"spacegroup": 2
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{
"id": "jvasp-11671",
"created_at": "2022-09-04T14:38:07.512959Z",
"updated_at": "2022-09-04T14:38:07.512982Z",
"structure_string": "V2 Zn2 O7\n1.0\n4.953699 0.103614 -0.923485\n-1.258907 5.134564 -1.164272\n0.076520 -0.099624 5.411870\nV Zn O\n2 2 7\ndirect\n0.902035 0.233768 0.233770 V\n0.097965 0.766230 0.766231 V\n0.500000 0.314296 0.685703 Zn\n0.500000 0.685704 0.314297 Zn\n0.224523 0.423050 0.423051 O\n0.775474 0.576949 0.576949 O\n0.289493 0.946495 0.610654 O\n0.710506 0.389345 0.053506 O\n0.000000 0.000000 0.000000 O\n0.710507 0.053506 0.389347 O\n0.289493 0.610653 0.946495 O\n",
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"density": 4.147083150171323,
"density_atomic": 0.07969830393152813,
"volume": 138.02050303919293,
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"formula_full": "V2 Zn2 O7",
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"formula_anonymous": "A2B2C7",
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"spacegroup": 12
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{
"id": "jvasp-37676",
"created_at": "2022-09-04T14:38:07.514706Z",
"updated_at": "2022-09-04T14:38:07.514725Z",
"structure_string": "La1 Be1 O3\n1.0\n3.701209 -0.000000 0.000000\n0.000000 3.701209 -0.000000\n0.000000 0.000000 3.701209\nLa Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Be\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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],
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},
{
"id": "jvasp-46787",
"created_at": "2022-09-04T14:38:07.518738Z",
"updated_at": "2022-09-04T14:38:07.518773Z",
"structure_string": "Li4 Si4 Ni4 O14\n1.0\n5.015066 0.000000 0.000000\n-2.507533 4.112912 0.000000\n0.000000 0.000000 13.057951\nLi Si Ni O\n4 4 4 14\ndirect\n0.341689 0.594450 0.583241 Li\n0.341689 0.594450 0.916759 Li\n0.747239 0.405549 0.416759 Li\n0.747239 0.405549 0.083241 Li\n0.398683 0.702607 0.363633 Si\n0.398683 0.702607 0.136367 Si\n0.696076 0.297393 0.636367 Si\n0.696076 0.297393 0.863632 Si\n0.014176 0.996356 0.750000 Ni\n0.017819 0.003643 0.250000 Ni\n0.040040 0.000000 0.000000 Ni\n0.040040 0.000000 0.500000 Ni\n0.327909 0.193188 0.864917 O\n0.752618 0.027729 0.130255 O\n0.752618 0.027729 0.369745 O\n0.848825 0.487234 0.750000 O\n0.327909 0.193188 0.635083 O\n0.367973 0.446906 0.449333 O\n0.134721 0.806812 0.135083 O\n0.724889 0.972271 0.630255 O\n0.724889 0.972271 0.869745 O\n0.361590 0.512765 0.250000 O\n0.134721 0.806812 0.364917 O\n0.921069 0.553094 0.949333 O\n0.367973 0.446906 0.050667 O\n0.921069 0.553094 0.550667 O\n",
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],
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"formula_full": "Li4 Si4 Ni4 O14",
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{
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"updated_at": "2022-09-04T14:38:07.518994Z",
"structure_string": "Dy2 Cu2 Pb2\n1.0\n2.300513 -3.984606 0.000000\n2.300513 3.984606 0.000000\n0.000000 0.000000 7.368249\nDy Cu Pb\n2 2 2\ndirect\n0.000000 0.000000 0.005492 Dy\n0.000000 0.000000 0.505492 Dy\n0.333332 0.666667 0.676479 Cu\n0.666667 0.333332 0.176479 Cu\n0.666667 0.333332 0.774929 Pb\n0.333332 0.666667 0.274929 Pb\n",
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{
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"created_at": "2022-09-04T14:38:07.519070Z",
"updated_at": "2022-09-04T14:38:07.519095Z",
"structure_string": "Li3 Co2 O2 F3\n1.0\n-0.000000 -2.059491 -2.059491\n-0.000000 2.059491 -2.059491\n10.410644 -2.059491 0.000000\nLi Co O F\n3 2 2 3\ndirect\n0.004060 0.995940 0.991881 Li\n0.195940 0.804059 0.608118 Li\n0.600000 0.400000 0.800000 Li\n0.395386 0.604613 0.209227 Co\n0.804613 0.195386 0.390773 Co\n0.905154 0.094845 0.189689 O\n0.294845 0.705154 0.410311 O\n0.505375 0.494624 0.989248 F\n0.694624 0.305375 0.610751 F\n0.100000 0.900000 0.800000 F\n",
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{
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"structure_string": "Mn4 Zn4 O12\n1.0\n5.038102 -0.000000 0.000000\n-0.000000 5.119484 0.000000\n0.000000 0.000000 7.325365\nMn Zn O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.996233 0.043355 0.250000 Zn\n0.496233 0.456644 0.750000 Zn\n0.503766 0.543355 0.250000 Zn\n0.003766 0.956644 0.750000 Zn\n0.816923 0.812267 0.061313 O\n0.316923 0.687732 0.561313 O\n0.316923 0.687732 0.938687 O\n0.885291 0.559960 0.750000 O\n0.114709 0.440039 0.250000 O\n0.183077 0.187732 0.561313 O\n0.683077 0.312267 0.061313 O\n0.183077 0.187732 0.938687 O\n0.816923 0.812267 0.438687 O\n0.614709 0.059961 0.750000 O\n0.683077 0.312267 0.438687 O\n0.385291 0.940039 0.250000 O\n",
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{
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]
}