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"results": [
{
"id": "jvasp-90191",
"created_at": "2022-09-04T14:36:21.124142Z",
"updated_at": "2022-09-04T14:36:21.124168Z",
"structure_string": "Rb2 Mn1 Cl4 O2\n1.0\n5.663518 0.230622 0.475173\n0.853679 5.986423 2.810406\n0.326174 0.412261 6.622972\nRb Mn Cl O\n2 1 4 2\ndirect\n0.782875 0.830795 0.859449 Rb\n0.217125 0.169204 0.140551 Rb\n-0.000000 0.500000 0.500000 Mn\n0.238984 0.131229 0.652096 Cl\n0.761016 0.868770 0.347904 Cl\n0.721816 0.365429 0.812176 Cl\n0.278184 0.634570 0.187824 Cl\n0.142390 0.577283 0.646412 O\n0.857610 0.422716 0.353588 O\n",
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"volume": 216.1316895737518,
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{
"id": "jvasp-107528",
"created_at": "2022-09-04T14:36:57.156470Z",
"updated_at": "2022-09-04T14:36:57.156492Z",
"structure_string": "Rb1 Mn1 Cu1 S2\n1.0\n3.814921 -0.003908 -6.270920\n-0.303018 3.802870 -6.270920\n0.003612 0.003908 7.340167\nRb Mn Cu S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.249999 0.750000 0.500000 Mn\n0.749999 0.250000 0.499999 Cu\n0.647341 0.647341 -0.000001 S\n0.352658 0.352658 -0.000000 S\n",
"nsites": 5,
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"elements": [
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"volume": 106.66701447660516,
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},
{
"id": "jvasp-24360",
"created_at": "2022-09-04T14:38:31.788799Z",
"updated_at": "2022-09-04T14:38:31.788815Z",
"structure_string": "Rb4 Mn2 P4 S12\n1.0\n0.000000 6.153465 0.003002\n12.285669 0.000000 0.000000\n0.000000 -5.101223 -7.404974\nRb Mn P S\n4 2 4 12\ndirect\n0.203539 0.324671 0.473897 Rb\n0.796460 0.675329 0.526103 Rb\n0.796460 0.824671 0.026103 Rb\n0.203539 0.175329 0.973897 Rb\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.841468 0.459042 0.871606 P\n0.841468 0.040958 0.371606 P\n0.158532 0.959042 0.628394 P\n0.158532 0.540958 0.128394 P\n0.722264 0.169425 0.452759 S\n0.971211 0.576549 0.249111 S\n0.541970 0.569800 0.744118 S\n0.458030 0.430200 0.255882 S\n0.722264 0.330575 0.952759 S\n0.028788 0.076549 0.250889 S\n0.971211 0.923451 0.749110 S\n0.458030 0.069800 0.755882 S\n0.277735 0.669425 0.047241 S\n0.541970 0.930200 0.244118 S\n0.028788 0.423451 0.750889 S\n0.277735 0.830575 0.547240 S\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Mn-P-Rb-S",
"density": 2.8498056869774624,
"density_atomic": 0.039312130390522705,
"volume": 559.6237034588113,
"volume_molar": 15.318785067552094,
"formula_full": "Rb4 Mn2 P4 S12",
"formula_reduced": "Rb2Mn(PS3)2",
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},
{
"id": "jvasp-112423",
"created_at": "2022-09-04T14:38:40.333021Z",
"updated_at": "2022-09-04T14:38:40.333035Z",
"structure_string": "Rb2 Mo1 I6 O18\n1.0\n7.550454 -0.049572 -0.988798\n-1.120341 7.467037 -0.988798\n-0.042973 -0.049572 7.614803\nRb Mo I O\n2 1 6 18\ndirect\n0.166762 0.166762 0.166762 Rb\n0.833238 0.833239 0.833238 Rb\n0.500000 0.500000 0.500000 Mo\n0.706496 0.123073 0.340730 I\n0.659270 0.293504 0.876927 I\n0.293504 0.876928 0.659269 I\n0.123073 0.340731 0.706496 I\n0.340731 0.706497 0.123073 I\n0.876927 0.659270 0.293503 I\n0.072741 0.096567 0.687849 O\n0.304696 0.321037 0.553737 O\n0.927259 0.903434 0.312150 O\n0.695304 0.678964 0.446262 O\n0.687849 0.072741 0.096567 O\n0.606464 0.088775 0.706475 O\n0.393536 0.911225 0.293524 O\n0.706475 0.606465 0.088775 O\n0.553737 0.304696 0.321036 O\n0.293525 0.393536 0.911224 O\n0.321037 0.553738 0.304696 O\n0.903433 0.312151 0.927259 O\n0.446264 0.695305 0.678963 O\n0.088775 0.706476 0.606464 O\n0.096567 0.687850 0.072740 O\n0.911225 0.293525 0.393535 O\n0.678964 0.446263 0.695304 O\n0.312151 0.927260 0.903433 O\n",
"nsites": 27,
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"elements": [
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],
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"density": 5.105092587376013,
"density_atomic": 0.06306177246992976,
"volume": 428.15161931698987,
"volume_molar": 9.549590067217956,
"formula_full": "Rb2 Mo1 I6 O18",
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"formula_anonymous": "AB2C6D18",
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},
{
"id": "jvasp-122105",
"created_at": "2022-09-04T14:38:54.919835Z",
"updated_at": "2022-09-04T14:38:54.919851Z",
"structure_string": "Rb4 Mo2 O4 F8\n1.0\n7.654376 0.019840 0.000000\n-5.340053 5.483950 0.000000\n-0.000000 -0.000000 7.070162\nRb Mo O F\n4 2 4 8\ndirect\n0.773750 0.226250 0.498033 Rb\n0.226251 0.773750 0.998033 Rb\n0.545926 0.454074 0.005738 Rb\n0.454075 0.545926 0.505738 Rb\n0.883638 0.116362 0.982921 Mo\n0.116363 0.883638 0.482922 Mo\n0.344927 0.105050 0.329041 O\n0.655074 0.894950 0.829040 O\n0.894951 0.655073 0.329041 O\n0.105050 0.344927 0.829040 O\n0.981691 0.018309 0.523740 F\n0.745870 0.254131 0.026989 F\n0.254131 0.745869 0.526989 F\n0.105876 0.344553 0.205249 F\n0.894125 0.655447 0.705249 F\n0.344553 0.105876 0.705249 F\n0.655448 0.894124 0.205249 F\n0.018309 0.981691 0.023740 F\n",
"nsites": 18,
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"elements": [
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"F"
],
"chemical_system": "F-Mo-O-Rb",
"density": 4.184369897392364,
"density_atomic": 0.06049856828552694,
"volume": 297.52770206144095,
"volume_molar": 9.954187232296329,
"formula_full": "Rb4 Mo2 O4 F8",
"formula_reduced": "Rb2Mo(OF2)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": null,
"spacegroup": 36
},
{
"id": "jvasp-107419",
"created_at": "2022-09-04T14:36:58.828290Z",
"updated_at": "2022-09-04T14:36:58.828310Z",
"structure_string": "Rb2 Na1 As1 Cl6\n1.0\n6.345909 -0.000000 3.663812\n2.115303 5.982981 3.663812\n-0.000000 -0.000000 7.327625\nRb Na As Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 As\n0.758438 0.241562 0.241561 Cl\n0.241562 0.241562 0.758438 Cl\n0.241561 0.758438 0.758438 Cl\n0.241561 0.758438 0.241561 Cl\n0.758438 0.241562 0.758437 Cl\n0.758438 0.758438 0.241561 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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],
"chemical_system": "As-Cl-Na-Rb",
"density": 2.874281405728851,
"density_atomic": 0.03594390854677648,
"volume": 278.2112576039486,
"volume_molar": 16.754273543075985,
"formula_full": "Rb2 Na1 As1 Cl6",
"formula_reduced": "Rb2NaAsCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-109466",
"created_at": "2022-09-04T14:38:07.494068Z",
"updated_at": "2022-09-04T14:38:07.494086Z",
"structure_string": "Rb1 Na2 As1 F6\n1.0\n5.660146 -0.000000 3.267887\n1.886715 5.336437 3.267887\n-0.000000 -0.000000 6.535774\nRb Na As F\n1 2 1 6\ndirect\n0.500001 0.500000 0.500000 Rb\n0.750001 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 As\n0.777987 0.222014 0.222014 F\n0.222014 0.222014 0.777986 F\n0.222015 0.777987 0.777986 F\n0.222015 0.777987 0.222014 F\n0.777987 0.222014 0.777986 F\n0.777987 0.777987 0.222014 F\n",
"nsites": 10,
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],
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"density": 2.6947002651112766,
"density_atomic": 0.050655190538478584,
"volume": 197.4131356273119,
"volume_molar": 11.88849690620643,
"formula_full": "Rb1 Na2 As1 F6",
"formula_reduced": "RbNa2AsF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108603",
"created_at": "2022-09-04T14:38:03.167260Z",
"updated_at": "2022-09-04T14:38:03.167286Z",
"structure_string": "Rb2 Na1 Au1 Br6\n1.0\n6.689749 -0.000000 3.862328\n2.229916 6.307155 3.862328\n-0.000000 -0.000000 7.724656\nRb Na Au Br\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.757235 0.242765 0.242765 Br\n0.242765 0.242765 0.757235 Br\n0.242765 0.757235 0.757235 Br\n0.242765 0.757235 0.242765 Br\n0.757235 0.242765 0.757235 Br\n0.757235 0.757235 0.242765 Br\n",
"nsites": 10,
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],
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"density_atomic": 0.030681566144441185,
"volume": 325.9286032832381,
"volume_molar": 19.627879266818578,
"formula_full": "Rb2 Na1 Au1 Br6",
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"spacegroup": 225
},
{
"id": "jvasp-106924",
"created_at": "2022-09-04T14:36:55.029686Z",
"updated_at": "2022-09-04T14:36:55.029711Z",
"structure_string": "Rb2 Na1 Au1 F6\n1.0\n5.342390 -0.000000 3.084431\n1.780797 5.036854 3.084431\n-0.000000 -0.000000 6.168861\nRb Na Au F\n2 1 1 6\ndirect\n0.750001 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.755078 0.244922 0.244922 F\n0.244922 0.244922 0.755078 F\n0.244923 0.755077 0.755078 F\n0.244923 0.755077 0.244922 F\n0.755078 0.244922 0.755078 F\n0.755079 0.755077 0.244922 F\n",
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"density_atomic": 0.06024209465965141,
"volume": 165.99688401435583,
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},
{
"id": "jvasp-63622",
"created_at": "2022-09-04T14:36:22.709411Z",
"updated_at": "2022-09-04T14:36:22.709438Z",
"structure_string": "Rb2 Na4 Au2 O4\n1.0\n4.083754 0.000000 0.000000\n0.000000 5.647008 -0.000000\n0.000000 0.000000 9.873809\nRb Na Au O\n2 4 2 4\ndirect\n0.000000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.573690 0.728913 Na\n0.000000 0.426310 0.271087 Na\n0.500000 0.073690 0.771087 Na\n0.500000 0.926310 0.228913 Na\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.500000 0.727309 0.658893 O\n0.500000 0.272691 0.341107 O\n0.000000 0.227309 0.841108 O\n0.000000 0.772692 0.158893 O\n",
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"formula_full": "Rb2 Na4 Au2 O4",
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},
{
"id": "jvasp-89347",
"created_at": "2022-09-04T14:36:19.419438Z",
"updated_at": "2022-09-04T14:36:19.419457Z",
"structure_string": "Rb2 Na4 Au2 O4\n1.0\n4.084589 0.000000 0.000000\n0.000000 5.647925 -0.000000\n0.000000 0.000000 9.867165\nRb Na Au O\n2 4 2 4\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.500000 0.073908 0.229002 Na\n0.000000 0.573908 0.270998 Na\n0.500000 0.926093 0.770999 Na\n0.000000 0.426093 0.729002 Na\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n0.500000 0.727420 0.341074 O\n0.500000 0.272581 0.658926 O\n0.000000 0.772581 0.841075 O\n0.000000 0.227420 0.158926 O\n",
"nsites": 12,
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],
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"density": 5.2583502842150835,
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"volume": 227.63009257828338,
"volume_molar": 11.423503822652116,
"formula_full": "Rb2 Na4 Au2 O4",
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},
{
"id": "jvasp-10294",
"created_at": "2022-09-04T14:37:07.309968Z",
"updated_at": "2022-09-04T14:37:07.309990Z",
"structure_string": "Rb2 Na4 B2 O6\n1.0\n5.560749 0.000000 0.000000\n0.000000 5.695351 0.000000\n0.000000 0.000000 6.106151\nRb Na B O\n2 4 2 6\ndirect\n0.887037 0.500000 0.000000 Rb\n0.112963 0.000000 0.500000 Rb\n0.364635 0.500000 0.268408 Na\n0.364635 0.500000 0.731592 Na\n0.635365 0.000000 0.231592 Na\n0.635365 0.000000 0.768408 Na\n0.786829 0.500000 0.500000 B\n0.213172 0.000000 0.000000 B\n0.655087 0.289684 0.500000 O\n0.344913 0.210316 0.000000 O\n0.035987 0.500000 0.500000 O\n0.964013 0.000000 0.000000 O\n0.344913 0.789684 0.000000 O\n0.655087 0.710316 0.500000 O\n",
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],
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"formula_full": "Rb2 Na4 B2 O6",
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"formula_anonymous": "ABC2D3",
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"spacegroup": 59
}
]
}