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{
"id": "jvasp-122032",
"created_at": "2022-09-04T14:38:54.812887Z",
"updated_at": "2022-09-04T14:38:54.812912Z",
"structure_string": "Pd6 Cl12\n1.0\n4.776606 -0.312408 0.468250\n1.245283 9.707716 0.904892\n0.051339 -0.218193 9.085076\nPd Cl\n6 12\ndirect\n0.534693 0.823011 0.076658 Pd\n0.014975 0.291607 0.170407 Pd\n0.256469 0.434721 0.621479 Pd\n0.465307 0.176989 0.923342 Pd\n0.985025 0.708394 0.829593 Pd\n0.743532 0.565279 0.378521 Pd\n0.349937 0.533741 0.839091 Cl\n0.146532 0.040559 0.554999 Cl\n0.029294 0.359761 0.418123 Cl\n0.650063 0.466259 0.160909 Cl\n0.475891 0.766952 0.332112 Cl\n0.524109 0.233049 0.667888 Cl\n0.616999 0.877994 0.820111 Cl\n0.970706 0.640240 0.581878 Cl\n0.045805 0.783466 0.068102 Cl\n0.383001 0.122006 0.179889 Cl\n-0.045806 0.216534 -0.068102 Cl\n0.853469 0.959442 0.445001 Cl\n",
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{
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"updated_at": "2022-09-04T14:38:54.720316Z",
"structure_string": "Ce1 Se2\n1.0\n2.137848 -3.701927 -0.017026\n2.137040 3.701460 -0.000000\n0.017271 -0.009972 5.958141\nCe Se\n1 2\ndirect\n-0.000000 0.333328 0.166667 Ce\n0.667142 0.666906 0.413856 Se\n0.332859 -0.000235 0.919476 Se\n",
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{
"id": "jvasp-121080",
"created_at": "2022-09-04T14:38:54.825705Z",
"updated_at": "2022-09-04T14:38:54.825720Z",
"structure_string": "H2 C1\n1.0\n3.256020 0.399193 0.116437\n0.222552 -1.757016 -0.199995\n0.015207 0.373140 -3.261097\nH C\n2 1\ndirect\n0.007776 0.714026 0.614561 H\n0.617299 0.714019 0.223634 H\n-0.056770 0.714023 0.288558 C\n",
"nsites": 3,
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"volume": 19.20061235551646,
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},
{
"id": "jvasp-123726",
"created_at": "2022-09-04T14:38:55.342001Z",
"updated_at": "2022-09-04T14:38:55.342024Z",
"structure_string": "Zn1 Se2\n1.0\n2.181022 -3.468351 -0.668408\n1.913170 3.313707 -0.000000\n-0.840306 0.485151 5.195433\nZn Se\n1 2\ndirect\n-0.000000 0.333274 0.166667 Zn\n0.786012 0.726369 0.426765 Se\n0.213986 -0.059645 0.906567 Se\n",
"nsites": 3,
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"elements": [
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"volume": 69.54171468200565,
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"spacegroup": 12
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{
"id": "jvasp-123714",
"created_at": "2022-09-04T14:38:54.991287Z",
"updated_at": "2022-09-04T14:38:54.991313Z",
"structure_string": "Tc1 Se2\n1.0\n1.629500 -2.822913 -0.014269\n1.629965 2.823182 0.000000\n0.012823 -0.007404 6.599736\nTc Se\n1 2\ndirect\n0.000000 0.333338 0.166667 Tc\n0.668593 0.667629 0.427334 Se\n0.331405 -0.000965 0.906000 Se\n",
"nsites": 3,
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"density": 6.9977324049928535,
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"volume": 60.728980951180844,
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"formula_full": "Tc1 Se2",
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{
"id": "jvasp-120280",
"created_at": "2022-09-04T14:38:46.848683Z",
"updated_at": "2022-09-04T14:38:46.848703Z",
"structure_string": "Li1 Cu2\n1.0\n4.343169 0.000000 0.000000\n0.000000 2.416696 0.000000\n0.000000 0.000000 4.732376\nLi Cu\n1 2\ndirect\n0.466737 0.000000 0.000000 Li\n-0.033368 0.000000 0.746875 Cu\n-0.033368 0.000000 0.253126 Cu\n",
"nsites": 3,
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"elements": [
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{
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"created_at": "2022-09-04T14:38:51.362410Z",
"updated_at": "2022-09-04T14:38:51.362426Z",
"structure_string": "Co4 Te8\n1.0\n6.340216 0.000000 0.000000\n0.000000 6.340216 0.000000\n0.000000 0.000000 6.340216\nCo Te\n4 8\ndirect\n0.500000 0.500000 -0.000000 Co\n0.500000 0.000000 0.500000 Co\n-0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.134967 0.865033 0.365033 Te\n0.865033 0.365033 0.134967 Te\n0.365033 0.134967 0.865033 Te\n0.634968 0.634968 0.634968 Te\n0.865033 0.134967 0.634968 Te\n0.134967 0.634968 0.865033 Te\n0.634968 0.865033 0.134967 Te\n0.365033 0.365033 0.365033 Te\n",
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"density": 8.186735493349381,
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{
"id": "jvasp-118170",
"created_at": "2022-09-04T14:38:50.831076Z",
"updated_at": "2022-09-04T14:38:50.831102Z",
"structure_string": "Al2 As1\n1.0\n3.876043 0.000000 0.000000\n0.000000 2.830966 0.000000\n0.000000 0.000000 6.199574\nAl As\n2 1\ndirect\n-0.033333 0.000000 0.716220 Al\n-0.033333 0.000000 0.283779 Al\n0.466665 0.000000 0.000000 As\n",
"nsites": 3,
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"elements": [
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"volume": 68.02759039976196,
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},
{
"id": "jvasp-120212",
"created_at": "2022-09-04T14:38:51.203740Z",
"updated_at": "2022-09-04T14:38:51.203760Z",
"structure_string": "H2 Cl1\n1.0\n4.919731 0.000000 0.015855\n0.000000 2.951204 0.000000\n-0.032243 0.000000 2.364815\nH Cl\n2 1\ndirect\n-0.086273 0.000000 -0.258794 H\n0.019605 0.000000 0.525456 H\n0.466670 0.000000 0.133340 Cl\n",
"nsites": 3,
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"elements": [
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"volume": 34.33656464562605,
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"formula_full": "H2 Cl1",
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{
"id": "jvasp-123717",
"created_at": "2022-09-04T14:38:55.380089Z",
"updated_at": "2022-09-04T14:38:55.380126Z",
"structure_string": "Ti1 Se2\n1.0\n1.766089 -3.070102 0.009335\n1.775743 3.075676 0.000000\n-0.019571 0.011299 6.083307\nTi Se\n1 2\ndirect\n-0.000000 0.333345 0.166667 Ti\n0.666872 0.666764 0.421079 Se\n0.333127 -0.000108 0.912256 Se\n",
"nsites": 3,
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{
"id": "jvasp-120211",
"created_at": "2022-09-04T14:38:51.172655Z",
"updated_at": "2022-09-04T14:38:51.172676Z",
"structure_string": "H1 Cl2\n1.0\n5.138093 -1.026584 -0.649532\n1.900019 -3.739370 -0.459324\n-1.330015 2.089953 -2.893750\nH Cl\n1 2\ndirect\n-0.026623 0.012711 0.794552 H\n0.689948 0.582016 0.794691 Cl\n0.185531 0.591309 0.794850 Cl\n",
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{
"id": "jvasp-123641",
"created_at": "2022-09-04T14:38:54.810392Z",
"updated_at": "2022-09-04T14:38:54.810419Z",
"structure_string": "Ar1 Se2\n1.0\n2.563509 -3.573510 -0.485135\n1.812997 3.140201 -0.000000\n-0.615524 0.355373 6.868901\nAr Se\n1 2\ndirect\n0.000000 0.333266 0.166667 Ar\n0.719428 0.693081 0.590734 Se\n0.280574 -0.026346 0.742600 Se\n",
"nsites": 3,
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"elements": [
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}