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{
"id": "jvasp-2020",
"created_at": "2022-09-04T14:36:15.559876Z",
"updated_at": "2022-09-04T14:36:15.559895Z",
"structure_string": "Ni1 Cl2\n1.0\n3.281023 -0.024914 4.984873\n1.474755 2.931011 4.984873\n-0.040771 -0.024914 5.967613\nNi Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.255441 0.255442 0.255440 Cl\n0.744559 0.744560 0.744556 Cl\n",
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{
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"structure_string": "Pu3 Ni9\n1.0\n4.693311 0.069755 7.231661\n2.193007 4.150031 7.231661\n0.113835 0.069755 8.620392\nPu Ni\n3 9\ndirect\n0.147591 0.147591 0.147591 Pu\n0.000000 0.000000 0.000000 Pu\n0.852410 0.852411 0.852407 Pu\n0.418119 0.418120 0.916474 Ni\n0.916476 0.418120 0.418117 Ni\n0.667307 0.667308 0.667305 Ni\n0.581882 0.581882 0.083524 Ni\n0.418119 0.916476 0.418117 Ni\n0.500000 0.500001 0.499999 Ni\n0.083525 0.581882 0.581880 Ni\n0.332693 0.332694 0.332692 Ni\n0.581881 0.083526 0.581880 Ni\n",
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{
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"updated_at": "2022-09-04T14:36:33.876861Z",
"structure_string": "Sr2 Ca6\n1.0\n7.893851 0.000000 0.000000\n-3.946926 6.836276 0.000000\n0.000000 0.000000 6.481824\nSr Ca\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.164572 0.329142 0.250000 Ca\n0.670858 0.835429 0.250000 Ca\n0.164571 0.835429 0.250000 Ca\n0.835428 0.670858 0.750000 Ca\n0.329142 0.164572 0.750000 Ca\n0.835428 0.164572 0.750000 Ca\n",
"nsites": 8,
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"elements": [
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"volume": 349.7886773484257,
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"formula_full": "Sr2 Ca6",
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{
"id": "jvasp-91731",
"created_at": "2022-09-04T14:36:14.438088Z",
"updated_at": "2022-09-04T14:36:14.438108Z",
"structure_string": "Sc2 F6\n1.0\n4.815510 0.123325 2.953807\n1.713681 4.501960 2.953806\n0.174089 0.123325 5.646575\nSc F\n2 6\ndirect\n0.500000 0.500001 0.500001 Sc\n0.000000 0.000000 0.000000 Sc\n0.642806 0.250002 0.857195 F\n0.250000 0.857195 0.642807 F\n0.857193 0.642807 0.250001 F\n0.357194 0.750001 0.142807 F\n0.750000 0.142807 0.357194 F\n0.142806 0.357195 0.750001 F\n",
"nsites": 8,
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"density_atomic": 0.06788950451442607,
"volume": 117.83853862565829,
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"formula_full": "Sc2 F6",
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"spacegroup": 167
},
{
"id": "jvasp-102149",
"created_at": "2022-09-04T14:36:33.146243Z",
"updated_at": "2022-09-04T14:36:33.146267Z",
"structure_string": "Rb2 O2\n1.0\n4.120408 0.000000 0.000000\n0.000000 4.076991 0.254029\n0.000000 -0.261369 5.561184\nRb O\n2 2\ndirect\n0.750000 0.749968 0.749965 Rb\n0.250000 0.250031 0.250034 Rb\n0.750000 0.750100 0.249997 O\n0.250000 0.249900 0.750003 O\n",
"nsites": 4,
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"elements": [
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"volume": 93.695162414254,
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"formula_full": "Rb2 O2",
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"spacegroup": 139
},
{
"id": "jvasp-92683",
"created_at": "2022-09-04T14:36:33.879022Z",
"updated_at": "2022-09-04T14:36:33.879044Z",
"structure_string": "In3 Pt2\n1.0\n-2.306303 -3.994663 0.000028\n-2.306328 3.994678 -0.000000\n0.000058 0.000034 -5.645590\nIn Pt\n3 2\ndirect\n0.000000 0.000000 0.000000 In\n0.333341 0.666671 0.652746 In\n0.666658 0.333329 0.347253 In\n0.333332 0.666666 0.167695 Pt\n0.666667 0.333334 0.832305 Pt\n",
"nsites": 5,
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"elements": [
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"density": 11.72665144604979,
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"volume": 104.02530814495616,
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"formula_full": "In3 Pt2",
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},
{
"id": "jvasp-94338",
"created_at": "2022-09-04T14:36:15.598529Z",
"updated_at": "2022-09-04T14:36:15.598550Z",
"structure_string": "Pu1 Pt5\n1.0\n-3.742136 -3.742136 -0.000000\n-3.742136 0.000000 -3.742136\n-0.000000 -3.742136 -3.742136\nPu Pt\n1 5\ndirect\n0.000000 0.000000 0.000000 Pu\n0.750001 0.750001 0.750001 Pt\n0.874210 0.375264 0.375264 Pt\n0.375264 0.874210 0.375264 Pt\n0.375264 0.375264 0.874210 Pt\n0.375264 0.375264 0.375264 Pt\n",
"nsites": 6,
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"elements": [
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"density": 19.320293277785822,
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"volume": 104.8066154835012,
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"formula_full": "Pu1 Pt5",
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"spacegroup": 216
},
{
"id": "jvasp-14865",
"created_at": "2022-09-04T14:36:15.781090Z",
"updated_at": "2022-09-04T14:36:15.781108Z",
"structure_string": "Er1 Tl1\n1.0\n3.743995 0.000000 -0.000000\n0.000000 3.743995 0.000000\n0.000000 0.000000 3.743995\nEr Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.499999 0.499999 0.499999 Tl\n",
"nsites": 2,
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"elements": [
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"density": 11.758947635317233,
"density_atomic": 0.03810870714868644,
"volume": 52.4814445212408,
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},
{
"id": "jvasp-105757",
"created_at": "2022-09-04T14:36:15.402799Z",
"updated_at": "2022-09-04T14:36:15.402830Z",
"structure_string": "Ga1 Pd3\n1.0\n3.813673 -0.000000 2.201825\n1.271224 3.595565 2.201825\n-0.000000 -0.000000 4.403650\nGa Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.249999 0.250000 0.250001 Pd\n0.749998 0.750001 0.750002 Pd\n0.499999 0.500001 0.500001 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 10.69686040846461,
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"volume": 60.384210233512896,
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"formula_full": "Ga1 Pd3",
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"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-8095",
"created_at": "2022-09-04T14:36:33.233433Z",
"updated_at": "2022-09-04T14:36:33.233455Z",
"structure_string": "Ni3 Se4\n1.0\n3.516348 0.000000 -1.052144\n-0.918441 5.320303 -3.069503\n-0.010544 -0.042955 6.366792\nNi Se\n3 4\ndirect\n0.000000 0.000000 0.000000 Ni\n0.260380 0.241081 0.520759 Ni\n0.739622 0.758919 0.479242 Ni\n0.118445 0.780072 0.236889 Se\n0.881557 0.219929 0.763112 Se\n0.634532 0.293796 0.269064 Se\n0.365470 0.706204 0.730937 Se\n",
"nsites": 7,
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"formula_full": "Ni3 Se4",
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"spacegroup": 12
},
{
"id": "jvasp-8275",
"created_at": "2022-09-04T14:36:34.579289Z",
"updated_at": "2022-09-04T14:36:34.579307Z",
"structure_string": "Cu4 S2\n1.0\n5.138215 -1.275429 0.000000\n-2.915224 4.419213 -0.000000\n-1.111495 -1.571892 4.931704\nCu S\n4 2\ndirect\n0.250090 0.749999 0.000090 Cu\n0.249999 0.750089 0.500090 Cu\n0.249909 0.250000 0.499910 Cu\n0.749999 0.749909 -0.000090 Cu\n0.624999 0.374999 0.250000 S\n0.874998 0.124999 0.749999 S\n",
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"volume": 93.64667385175653,
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},
{
"id": "jvasp-107996",
"created_at": "2022-09-04T14:36:19.291618Z",
"updated_at": "2022-09-04T14:36:19.291635Z",
"structure_string": "Ti6 N4\n1.0\n4.614045 -0.000613 3.294326\n1.695413 4.291269 3.294326\n-0.000901 -0.000613 5.669391\nTi N\n6 4\ndirect\n0.573170 0.926831 0.250001 Ti\n0.250000 0.573171 0.926830 Ti\n0.926831 0.250001 0.573170 Ti\n0.073169 0.750001 0.426831 Ti\n0.750000 0.426831 0.073170 Ti\n0.426830 0.073171 0.750000 Ti\n0.840842 0.840843 0.840842 N\n0.659159 0.659160 0.659159 N\n0.340841 0.340842 0.340842 N\n0.159159 0.159159 0.159159 N\n",
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"volume": 112.2790808342305,
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"formula_full": "Ti6 N4",
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