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{
"id": "jvasp-110702",
"created_at": "2022-09-04T14:38:38.385399Z",
"updated_at": "2022-09-04T14:38:38.385419Z",
"structure_string": "Rb2 Ag1 Sb1 Cl6\n1.0\n6.500365 -0.000000 3.752988\n2.166788 6.128603 3.752988\n-0.000000 -0.000000 7.505975\nRb Ag Sb Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.750385 0.249615 0.249615 Cl\n0.249616 0.249615 0.750385 Cl\n0.249616 0.750384 0.750385 Cl\n0.249616 0.750384 0.249616 Cl\n0.750385 0.249615 0.750385 Cl\n0.750386 0.750384 0.249616 Cl\n",
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{
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"structure_string": "Ti3 Fe1 S6\n1.0\n5.206453 -0.010518 3.870788\n1.939740 4.831633 3.870788\n-0.015591 -0.010518 6.487674\nTi Fe S\n3 1 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.329555 0.329555 0.329555 Ti\n0.670445 0.670444 0.670445 Ti\n0.500000 0.499999 0.500000 Fe\n0.904143 0.581201 0.249584 S\n0.581202 0.249583 0.904143 S\n0.249584 0.904142 0.581202 S\n0.750416 0.095857 0.418798 S\n0.418798 0.750416 0.095858 S\n0.095857 0.418797 0.750416 S\n",
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{
"id": "jvasp-106223",
"created_at": "2022-09-04T14:38:39.540587Z",
"updated_at": "2022-09-04T14:38:39.540604Z",
"structure_string": "Na2 In1 Ga1 F6\n1.0\n5.439376 0.000000 3.140425\n1.813125 5.128294 3.140425\n-0.000000 0.000000 6.280850\nNa In Ga F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.749999 0.750001 Na\n0.500001 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n0.264197 0.264197 0.735803 F\n0.264198 0.735803 0.735804 F\n0.735804 0.735803 0.264198 F\n0.264198 0.735803 0.264197 F\n0.735804 0.264197 0.735804 F\n0.735804 0.264197 0.264197 F\n",
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"volume": 175.20254774394522,
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"formula_full": "Na2 In1 Ga1 F6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-110386",
"created_at": "2022-09-04T14:38:38.908769Z",
"updated_at": "2022-09-04T14:38:38.908779Z",
"structure_string": "Rb2 Na1 Y1 Br6\n1.0\n6.841645 0.000000 3.950025\n2.280548 6.450364 3.950025\n-0.000000 -0.000000 7.900050\nRb Na Y Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Y\n0.752651 0.247348 0.247349 Br\n0.247348 0.247348 0.752652 Br\n0.247348 0.752651 0.752653 Br\n0.247348 0.752651 0.247349 Br\n0.752651 0.247348 0.752653 Br\n0.752652 0.752651 0.247349 Br\n",
"nsites": 10,
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"elements": [
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"Y",
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"chemical_system": "Br-Na-Rb-Y",
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"density_atomic": 0.028683054713400512,
"volume": 348.63790136439246,
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"formula_full": "Rb2 Na1 Y1 Br6",
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{
"id": "jvasp-110377",
"created_at": "2022-09-04T14:38:38.339393Z",
"updated_at": "2022-09-04T14:38:38.339403Z",
"structure_string": "Rb2 Na1 Mo1 Br6\n1.0\n6.638464 0.000000 3.832719\n2.212821 6.258803 3.832719\n-0.000000 -0.000000 7.665437\nRb Na Mo Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Mo\n0.760737 0.239262 0.239263 Br\n0.239262 0.239262 0.760738 Br\n0.239262 0.760737 0.760738 Br\n0.239262 0.760737 0.239263 Br\n0.760737 0.239262 0.760738 Br\n0.760737 0.760737 0.239263 Br\n",
"nsites": 10,
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"volume": 318.4900031675879,
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{
"id": "jvasp-110555",
"created_at": "2022-09-04T14:38:38.900393Z",
"updated_at": "2022-09-04T14:38:38.900423Z",
"structure_string": "Nd2 Mn3 Fe1 Si4\n1.0\n3.973626 0.000000 0.000000\n0.000000 3.973626 0.000000\n0.000000 0.000000 10.422576\nNd Mn Fe Si\n2 3 1 4\ndirect\n0.500000 0.000000 0.752710 Nd\n0.000000 0.500000 0.247291 Nd\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.879949 Si\n0.500000 0.000000 0.374331 Si\n0.500000 0.000000 0.120052 Si\n0.000000 0.500000 0.625669 Si\n",
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"volume": 164.56938566211028,
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"formula_full": "Nd2 Mn3 Fe1 Si4",
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{
"id": "jvasp-110672",
"created_at": "2022-09-04T14:38:38.108582Z",
"updated_at": "2022-09-04T14:38:38.108603Z",
"structure_string": "K2 Al1 Ag1 Cl6\n1.0\n6.131031 -0.000000 3.539752\n2.043677 5.780391 3.539752\n-0.000000 -0.000000 7.079504\nK Al Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.499999 Ag\n0.766796 0.233204 0.233203 Cl\n0.233204 0.233204 0.766795 Cl\n0.233204 0.766796 0.766795 Cl\n0.233204 0.766796 0.233203 Cl\n0.766796 0.233204 0.766795 Cl\n0.766797 0.766796 0.233203 Cl\n",
"nsites": 10,
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],
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"density_atomic": 0.0398571682844705,
"volume": 250.8958972857158,
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"formula_full": "K2 Al1 Ag1 Cl6",
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{
"id": "jvasp-12365",
"created_at": "2022-09-04T14:38:34.045201Z",
"updated_at": "2022-09-04T14:38:34.045218Z",
"structure_string": "Pb2 S2 O6\n1.0\n0.000000 4.518077 -0.029107\n5.359993 0.000000 0.000000\n0.000000 -1.795207 -6.119262\nPb S O\n2 2 6\ndirect\n0.647764 0.250000 0.279718 Pb\n0.352236 0.750000 0.720282 Pb\n0.084645 0.750000 0.172312 S\n0.915355 0.250000 0.827689 S\n0.804343 0.023815 0.674996 O\n0.195657 0.523815 0.325004 O\n0.195657 0.976184 0.325004 O\n0.804343 0.476184 0.674996 O\n0.267493 0.250000 0.867398 O\n0.732507 0.750000 0.132602 O\n",
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"volume": 148.46939404592138,
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},
{
"id": "jvasp-110701",
"created_at": "2022-09-04T14:38:37.417871Z",
"updated_at": "2022-09-04T14:38:37.417885Z",
"structure_string": "Rb2 Sb1 Au1 Br6\n1.0\n6.832795 -0.000000 3.944916\n2.277598 6.442021 3.944916\n-0.000000 -0.000000 7.889832\nRb Sb Au Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500000 0.500000 Au\n0.748290 0.251710 0.251711 Br\n0.251711 0.251710 0.748290 Br\n0.251711 0.748290 0.748290 Br\n0.251711 0.748290 0.251711 Br\n0.748290 0.251710 0.748290 Br\n0.748290 0.748290 0.251711 Br\n",
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{
"id": "jvasp-106286",
"created_at": "2022-09-04T14:38:40.090608Z",
"updated_at": "2022-09-04T14:38:40.090640Z",
"structure_string": "La2 Ni6 B2\n1.0\n5.737657 0.011955 -1.778857\n-1.497843 4.259766 -3.961823\n-0.012687 -0.011955 6.007069\nLa Ni B\n2 6 2\ndirect\n0.822286 0.572286 0.250000 La\n0.177714 0.427715 0.750001 La\n0.322797 0.500000 0.322797 Ni\n0.677204 0.500000 0.677204 Ni\n0.677204 -0.000001 0.177203 Ni\n0.322796 0.000001 0.822796 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 -0.000000 0.500000 Ni\n0.381159 0.131158 0.250000 B\n0.618842 0.868842 0.750001 B\n",
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{
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"created_at": "2022-09-04T14:38:34.004320Z",
"updated_at": "2022-09-04T14:38:34.004344Z",
"structure_string": "Sr2 Mg1 Re1 O6\n1.0\n4.867145 -0.000000 -2.799408\n-1.610119 4.593106 -2.799408\n-0.009283 -0.013091 5.614655\nSr Mg Re O\n2 1 1 6\ndirect\n0.250001 0.750001 0.500001 Sr\n0.750001 0.250000 0.500001 Sr\n0.500001 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Re\n0.756609 0.756609 0.000000 O\n0.243392 0.756609 0.000000 O\n0.756609 0.243392 0.000000 O\n0.243392 0.243392 0.000000 O\n0.243398 0.243398 0.486796 O\n0.756604 0.756603 0.513206 O\n",
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{
"id": "jvasp-110383",
"created_at": "2022-09-04T14:38:39.588293Z",
"updated_at": "2022-09-04T14:38:39.588313Z",
"structure_string": "Rb2 Li1 Ta1 Cl6\n1.0\n6.133186 -0.000000 3.540996\n2.044396 5.782423 3.540996\n0.000000 0.000000 7.081994\nRb Li Ta Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ta\n0.752612 0.247388 0.247388 Cl\n0.247389 0.247388 0.752611 Cl\n0.247389 0.752611 0.752612 Cl\n0.247389 0.752611 0.247388 Cl\n0.752612 0.247388 0.752612 Cl\n0.752613 0.752611 0.247389 Cl\n",
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}