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"results": [
{
"id": "jvasp-56825",
"created_at": "2022-09-04T14:36:50.376393Z",
"updated_at": "2022-09-04T14:36:50.376415Z",
"structure_string": "Rb2 Hg2 Pd1 Br8\n1.0\n6.684631 0.022477 1.935016\n2.861186 6.041390 1.935016\n-0.066775 -0.042418 10.236648\nRb Hg Pd Br\n2 2 1 8\ndirect\n0.399050 0.399050 0.828077 Rb\n0.600950 0.600950 0.171924 Rb\n0.133010 0.133010 0.602040 Hg\n0.866990 0.866990 0.397961 Hg\n0.000000 0.000000 0.000000 Pd\n0.353263 0.353263 0.497171 Br\n0.894303 0.379084 0.866517 Br\n0.088242 0.088242 0.303692 Br\n0.911759 0.911759 0.696309 Br\n0.646737 0.646737 0.502830 Br\n0.105696 0.620916 0.133484 Br\n0.620916 0.105696 0.133484 Br\n0.379084 0.894304 0.866517 Br\n",
"nsites": 13,
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],
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"density": 5.287629048457458,
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"formula_full": "Rb2 Hg2 Pd1 Br8",
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{
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"updated_at": "2022-09-04T14:36:59.884503Z",
"structure_string": "Rb1 Hg1 N3 O6\n1.0\n5.854284 -0.000000 0.000000\n-0.000000 5.854284 -0.000000\n-0.000000 -0.000000 5.854284\nRb Hg N O\n1 1 3 6\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.712519 O\n0.000000 0.712519 0.500000 O\n0.000000 0.287480 0.500000 O\n0.500000 0.000000 0.287480 O\n0.287480 0.500000 0.000000 O\n0.712519 0.500000 0.000000 O\n",
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"chemical_system": "Hg-N-O-Rb",
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"density_atomic": 0.054824076463530116,
"volume": 200.64177473773557,
"volume_molar": 10.984481907335052,
"formula_full": "Rb1 Hg1 N3 O6",
"formula_reduced": "RbHg(NO2)3",
"formula_anonymous": "ABC3D6",
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"spacegroup": 200
},
{
"id": "jvasp-107099",
"created_at": "2022-09-04T14:36:58.957067Z",
"updated_at": "2022-09-04T14:36:58.957088Z",
"structure_string": "Rb2 Hg1 Ir1 F6\n1.0\n5.720899 -0.000000 3.302962\n1.906966 5.393715 3.302962\n-0.000000 -0.000000 6.605925\nRb Hg Ir F\n2 1 1 6\ndirect\n0.750001 0.749999 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.499999 Hg\n0.000000 0.000000 0.000000 Ir\n0.787045 0.212955 0.212954 F\n0.212955 0.212955 0.787044 F\n0.212956 0.787044 0.787044 F\n0.212956 0.787044 0.212954 F\n0.787045 0.212955 0.787044 F\n0.787046 0.787044 0.212954 F\n",
"nsites": 10,
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"elements": [
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"F"
],
"chemical_system": "F-Hg-Ir-Rb",
"density": 5.521051883094404,
"density_atomic": 0.049058479744714716,
"volume": 203.83835887367349,
"volume_molar": 12.275432894246569,
"formula_full": "Rb2 Hg1 Ir1 F6",
"formula_reduced": "Rb2HgIrF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-104496",
"created_at": "2022-09-04T14:36:59.241166Z",
"updated_at": "2022-09-04T14:36:59.241181Z",
"structure_string": "Rb2 Hg1 Bi1 I6\n1.0\n7.535893 -0.000000 4.350850\n2.511964 7.104908 4.350850\n-0.000000 -0.000000 8.701700\nRb Hg Bi I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.750213 0.249787 0.249787 I\n0.249787 0.249787 0.750213 I\n0.249786 0.750213 0.750213 I\n0.249786 0.750213 0.249787 I\n0.750213 0.249787 0.750213 I\n0.750212 0.750213 0.249787 I\n",
"nsites": 10,
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"elements": [
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"I"
],
"chemical_system": "Bi-Hg-I-Rb",
"density": 4.78280399747945,
"density_atomic": 0.021463607179877706,
"volume": 465.9049113317297,
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"formula_full": "Rb2 Hg1 Bi1 I6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-106209",
"created_at": "2022-09-04T14:37:47.263774Z",
"updated_at": "2022-09-04T14:37:47.263800Z",
"structure_string": "Rb2 Hg1 Bi1 F6\n1.0\n5.862489 0.000000 3.384709\n1.954163 5.527208 3.384709\n0.000000 0.000000 6.769420\nRb Hg Bi F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.764340 0.235660 0.235660 F\n0.235660 0.235660 0.764340 F\n0.235660 0.764340 0.764340 F\n0.235660 0.764340 0.235660 F\n0.764340 0.235660 0.764340 F\n0.764340 0.764340 0.235660 F\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Bi-F-Hg-Rb",
"density": 5.257506267082662,
"density_atomic": 0.04558906557699278,
"volume": 219.35084374808184,
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"formula_full": "Rb2 Hg1 Bi1 F6",
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},
{
"id": "jvasp-109245",
"created_at": "2022-09-04T14:38:17.798272Z",
"updated_at": "2022-09-04T14:38:17.798299Z",
"structure_string": "Rb2 Hg1 Bi1 Cl6\n1.0\n6.753070 -0.000000 3.898887\n2.251023 6.366855 3.898887\n-0.000000 -0.000000 7.797773\nRb Hg Bi Cl\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.754469 0.245531 0.245531 Cl\n0.245531 0.245531 0.754469 Cl\n0.245530 0.754470 0.754469 Cl\n0.245530 0.754470 0.245531 Cl\n0.754469 0.245531 0.754469 Cl\n0.754468 0.754470 0.245532 Cl\n",
"nsites": 10,
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"elements": [
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"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-Hg-Rb",
"density": 3.928693462954242,
"density_atomic": 0.0298265622888092,
"volume": 335.271624774269,
"volume_molar": 20.190529172245512,
"formula_full": "Rb2 Hg1 Bi1 Cl6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-101513",
"created_at": "2022-09-04T14:36:41.065810Z",
"updated_at": "2022-09-04T14:36:41.065833Z",
"structure_string": "Rb2 Hg1 Au1 F6\n1.0\n5.543606 -0.000000 3.200602\n1.847869 5.226562 3.200602\n-0.000000 -0.000000 6.401205\nRb Hg Au F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.499999 Hg\n0.000000 0.000000 0.000000 Au\n0.752512 0.247489 0.247488 F\n0.247489 0.247489 0.752510 F\n0.247489 0.752511 0.752510 F\n0.247489 0.752511 0.247488 F\n0.752512 0.247489 0.752510 F\n0.752512 0.752511 0.247488 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Hg",
"Au",
"F"
],
"chemical_system": "Au-F-Hg-Rb",
"density": 6.110411732224131,
"density_atomic": 0.05391750676420505,
"volume": 185.4685166310182,
"volume_molar": 11.169175137003926,
"formula_full": "Rb2 Hg1 Au1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-108999",
"created_at": "2022-09-04T14:37:46.540336Z",
"updated_at": "2022-09-04T14:37:46.540357Z",
"structure_string": "Rb2 Hg1 Au1 Br6\n1.0\n6.726338 -0.000000 3.883453\n2.242113 6.341652 3.883453\n-0.000000 -0.000000 7.766906\nRb Hg Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n0.755362 0.244638 0.244638 Br\n0.244638 0.244638 0.755362 Br\n0.244638 0.755362 0.755362 Br\n0.244638 0.755362 0.244638 Br\n0.755362 0.244638 0.755362 Br\n0.755362 0.755362 0.244638 Br\n",
"nsites": 10,
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"elements": [
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"Au",
"Br"
],
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"formula_full": "Rb2 Hg1 Au1 Br6",
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},
{
"id": "jvasp-106921",
"created_at": "2022-09-04T14:36:54.826559Z",
"updated_at": "2022-09-04T14:36:54.826576Z",
"structure_string": "Rb2 Hg1 As1 I6\n1.0\n7.281348 -0.000000 4.203888\n2.427116 6.864920 4.203888\n-0.000000 -0.000000 8.407776\nRb Hg As I\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.757342 0.242659 0.242659 I\n0.242659 0.242659 0.757342 I\n0.242659 0.757341 0.757342 I\n0.242659 0.757341 0.242659 I\n0.757342 0.242659 0.757342 I\n0.757342 0.757341 0.242659 I\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.77246043260852,
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"volume": 420.2700108390226,
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"formula_full": "Rb2 Hg1 As1 I6",
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{
"id": "jvasp-101507",
"created_at": "2022-09-04T14:36:57.577538Z",
"updated_at": "2022-09-04T14:36:57.577559Z",
"structure_string": "Rb2 Hg1 As1 Cl6\n1.0\n6.486464 -0.000000 3.744962\n2.162155 6.115497 3.744962\n-0.000000 -0.000000 7.489924\nRb Hg As Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.763054 0.236945 0.236945 Cl\n0.236945 0.236945 0.763054 Cl\n0.236944 0.763055 0.763054 Cl\n0.236944 0.763055 0.236945 Cl\n0.763054 0.236945 0.763054 Cl\n0.763054 0.763055 0.236945 Cl\n",
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],
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"density_atomic": 0.03365757478961599,
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"formula_full": "Rb2 Hg1 As1 Cl6",
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{
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"created_at": "2022-09-04T14:38:18.209825Z",
"updated_at": "2022-09-04T14:38:18.209846Z",
"structure_string": "Rb2 Hg1 As1 Br6\n1.0\n6.812049 -0.000000 3.932939\n2.270683 6.422462 3.932939\n-0.000000 -0.000000 7.865877\nRb Hg As 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 Hg\n0.000000 0.000000 0.000000 As\n0.759870 0.240130 0.240130 Br\n0.240130 0.240130 0.759870 Br\n0.240130 0.759870 0.759871 Br\n0.240130 0.759870 0.240131 Br\n0.759870 0.240130 0.759870 Br\n0.759870 0.759870 0.240131 Br\n",
"nsites": 10,
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{
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"created_at": "2022-09-04T14:36:09.837955Z",
"updated_at": "2022-09-04T14:36:09.837976Z",
"structure_string": "Rb1 Hf1 Cu3 Se4\n1.0\n6.301639 0.000000 0.000000\n-0.000000 6.301639 0.000000\n0.000000 -0.000000 6.301639\nRb Hf Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.225670 0.225670 0.225670 Se\n0.774331 0.774331 0.225670 Se\n0.225670 0.774331 0.774331 Se\n0.774331 0.225670 0.774331 Se\n",
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],
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"formula_full": "Rb1 Hf1 Cu3 Se4",
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}
]
}