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{
"id": "jvasp-118392",
"created_at": "2022-09-04T14:38:50.163263Z",
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"structure_string": "Ge2 P2\n1.0\n5.230820 -1.001428 0.105493\n-3.548119 -4.837670 -0.412999\n-1.576824 -1.492942 -3.062809\nGe P\n2 2\ndirect\n0.083942 0.156195 0.026670 Ge\n0.616488 0.259191 0.690689 Ge\n0.529815 0.538436 0.868194 P\n0.170616 0.876945 0.849174 P\n",
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{
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"structure_string": "Ca1 Fe2 N2\n1.0\n3.504624 0.000000 0.000000\n0.000000 3.504624 0.000000\n0.000000 0.000000 5.951454\nCa Fe N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.499999 0.499999 0.812251 Fe\n0.499999 0.499999 0.187749 Fe\n0.499999 0.000000 0.215681 N\n0.000000 0.499999 0.784318 N\n",
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{
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"updated_at": "2022-09-04T14:35:43.069746Z",
"structure_string": "Li2 Fe2 F6\n1.0\n2.807546 0.000000 0.000000\n-1.403773 4.783660 0.000000\n0.000000 0.000000 7.252515\nLi Fe F\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.244569 0.489135 0.250000 Fe\n0.755434 0.510865 0.750000 Fe\n0.094704 0.189405 0.750000 F\n0.360695 0.721388 0.572710 F\n0.360695 0.721388 0.927289 F\n0.639308 0.278613 0.427289 F\n0.905299 0.810595 0.250000 F\n0.639308 0.278613 0.072710 F\n",
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"elements": [
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{
"id": "jvasp-30212",
"created_at": "2022-09-04T14:37:07.523307Z",
"updated_at": "2022-09-04T14:37:07.523330Z",
"structure_string": "Sb4 O4 F12\n1.0\n8.386077 -0.071309 0.193912\n-2.312092 4.996869 -0.041569\n-1.012965 -2.004132 7.560327\nSb O F\n4 4 12\ndirect\n0.210796 0.527294 0.526372 Sb\n0.423307 0.407224 0.181948 Sb\n0.576694 0.592776 0.818052 Sb\n0.789206 0.472707 0.473628 Sb\n0.321972 0.468389 0.731525 O\n0.398217 0.627809 0.390017 O\n0.601784 0.372192 0.609983 O\n0.678029 0.531612 0.268475 O\n0.909553 0.847823 0.607640 F\n0.726367 0.096511 0.372472 F\n0.348716 0.046719 0.218777 F\n0.480564 0.266385 0.939880 F\n0.519437 0.733616 0.060119 F\n0.195235 0.311245 0.047305 F\n0.273634 0.903489 0.627528 F\n0.090449 0.152177 0.392360 F\n0.804766 0.688755 -0.047306 F\n-0.013272 0.438303 0.642431 F\n0.651285 -0.046719 0.781223 F\n0.013273 0.561698 0.357569 F\n",
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{
"id": "jvasp-86733",
"created_at": "2022-09-04T14:38:17.681938Z",
"updated_at": "2022-09-04T14:38:17.681959Z",
"structure_string": "Al10 Mo2\n1.0\n4.935291 0.000000 -0.000000\n-2.467645 4.274088 -0.000000\n0.000000 0.000000 8.898753\nAl Mo\n10 2\ndirect\n0.661300 -0.000000 0.250000 Al\n-0.000001 0.661301 0.250000 Al\n0.661300 0.661301 0.750000 Al\n0.000000 0.000000 0.000000 Al\n0.338699 -0.000000 0.750000 Al\n0.666667 0.333333 0.500000 Al\n0.338699 0.338700 0.250000 Al\n0.000000 0.000000 0.500000 Al\n0.333332 0.666667 0.000000 Al\n-0.000000 0.338700 0.750000 Al\n0.333332 0.666667 0.500000 Mo\n0.666667 0.333333 0.000000 Mo\n",
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"formula_full": "Al10 Mo2",
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{
"id": "jvasp-86131",
"created_at": "2022-09-04T14:35:58.281577Z",
"updated_at": "2022-09-04T14:35:58.281603Z",
"structure_string": "Al10 Mo2\n1.0\n4.935291 0.000000 -0.000000\n-2.467645 4.274088 -0.000000\n-0.000000 0.000000 8.898753\nAl Mo\n10 2\ndirect\n0.661300 -0.000000 0.250000 Al\n-0.000001 0.661301 0.250000 Al\n0.661300 0.661301 0.750000 Al\n0.000000 0.000000 0.000000 Al\n0.338699 -0.000000 0.750000 Al\n0.666667 0.333333 0.500000 Al\n0.338699 0.338700 0.250000 Al\n0.000000 0.000000 0.500000 Al\n0.333332 0.666667 0.000000 Al\n-0.000000 0.338700 0.750000 Al\n0.333332 0.666667 0.500000 Mo\n0.666667 0.333333 0.000000 Mo\n",
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"volume": 187.7091214990658,
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"formula_full": "Al10 Mo2",
"formula_reduced": "Al5Mo",
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"spacegroup": 182
},
{
"id": "jvasp-8106",
"created_at": "2022-09-04T14:37:00.640170Z",
"updated_at": "2022-09-04T14:37:00.640186Z",
"structure_string": "Ag2 C2 N2 O2\n1.0\n3.723113 -0.000000 -0.000000\n-1.861557 5.567577 0.000000\n0.000000 -0.000000 5.878988\nAg C N O\n2 2 2 2\ndirect\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.859496 0.718996 0.250000 C\n0.140502 0.281004 0.750000 C\n0.246952 0.493905 0.750000 N\n0.753047 0.506095 0.250000 N\n0.358324 0.716650 0.750000 O\n0.641675 0.283350 0.250000 O\n",
"nsites": 8,
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],
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"formula_full": "Ag2 C2 N2 O2",
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"spacegroup": 63
},
{
"id": "jvasp-93292",
"created_at": "2022-09-04T14:36:01.366635Z",
"updated_at": "2022-09-04T14:36:01.366650Z",
"structure_string": "Mg5 Hg1\n1.0\n-4.699214 2.713091 0.000000\n0.000000 -5.426184 0.000000\n-1.566406 2.713091 5.135169\nMg Hg\n5 1\ndirect\n0.996443 -0.000000 -0.000000 Mg\n0.670221 0.336889 -0.000000 Mg\n0.333332 0.663113 -0.000000 Mg\n0.500662 0.832669 0.498015 Mg\n0.166004 0.167327 0.501984 Mg\n0.833333 0.499998 0.499998 Hg\n",
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{
"id": "jvasp-117787",
"created_at": "2022-09-04T14:38:49.673679Z",
"updated_at": "2022-09-04T14:38:49.673715Z",
"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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"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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{
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"created_at": "2022-09-04T14:37:49.624980Z",
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"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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