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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1528",
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"results": [
{
"id": "jvasp-22801",
"created_at": "2022-09-04T14:37:29.889848Z",
"updated_at": "2022-09-04T14:37:29.889869Z",
"structure_string": "Rb12 P4 S16\n1.0\n9.280973 0.000000 0.000000\n0.000000 9.289261 0.000000\n0.000000 0.000000 10.929102\nRb P S\n12 4 16\ndirect\n0.154389 0.089282 0.750000 Rb\n0.345611 0.589282 0.250000 Rb\n0.654389 0.410718 0.750000 Rb\n0.845611 0.910717 0.250000 Rb\n0.958842 0.704544 0.959527 Rb\n0.541158 0.204544 0.040472 Rb\n0.458842 0.795456 0.540472 Rb\n0.041158 0.295456 0.459527 Rb\n0.041158 0.295456 0.040472 Rb\n0.458842 0.795456 0.959527 Rb\n0.541158 0.204544 0.459527 Rb\n0.958842 0.704544 0.540472 Rb\n0.723385 0.979665 0.750000 P\n0.776614 0.479665 0.250000 P\n0.223385 0.520335 0.750000 P\n0.276614 0.020335 0.250000 P\n0.830048 0.044082 0.906294 S\n0.669951 0.544082 0.093706 S\n0.018685 0.429878 0.750000 S\n0.481314 0.929878 0.250000 S\n0.518685 0.070122 0.750000 S\n0.981314 0.570122 0.250000 S\n0.330049 0.455918 0.906294 S\n0.169951 0.955918 0.093706 S\n0.669951 0.544082 0.406294 S\n0.791629 0.258196 0.250000 S\n0.708371 0.758196 0.750000 S\n0.291629 0.241804 0.250000 S\n0.208371 0.741804 0.750000 S\n0.169951 0.955918 0.406294 S\n0.830048 0.044082 0.593706 S\n0.330049 0.455918 0.593706 S\n",
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"elements": [
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],
"chemical_system": "P-Rb-S",
"density": 2.9299776376716364,
"density_atomic": 0.033961809726356505,
"volume": 942.2348295875994,
"volume_molar": 17.732096164847302,
"formula_full": "Rb12 P4 S16",
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},
{
"id": "jvasp-25692",
"created_at": "2022-09-04T14:37:48.866477Z",
"updated_at": "2022-09-04T14:37:48.866501Z",
"structure_string": "Rb2 P2 S6\n1.0\n6.082974 -0.000000 3.367742\n2.751963 6.210722 2.206822\n0.019489 0.054677 7.142343\nRb P S\n2 2 6\ndirect\n0.499999 0.736637 0.263362 Rb\n0.500000 0.263363 0.736637 Rb\n0.160888 0.339112 0.339112 P\n0.839111 0.660888 0.660888 P\n-0.000000 0.311112 0.688888 S\n0.024896 0.229680 0.229680 S\n0.484255 0.770320 0.770320 S\n-0.000000 0.688888 0.311112 S\n0.515744 0.229680 0.229680 S\n0.975103 0.770320 0.770320 S\n",
"nsites": 10,
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"elements": [
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"chemical_system": "P-Rb-S",
"density": 2.6232598448338647,
"density_atomic": 0.03714704539171542,
"volume": 269.20041404504843,
"volume_molar": 16.211627860295625,
"formula_full": "Rb2 P2 S6",
"formula_reduced": "RbPS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4962430999999998,
"spacegroup": 71
},
{
"id": "jvasp-103366",
"created_at": "2022-09-04T14:38:40.649895Z",
"updated_at": "2022-09-04T14:38:40.649931Z",
"structure_string": "Rb1 P2 Ru2\n1.0\n3.879579 -0.006363 -5.974835\n-0.345644 3.864156 -5.974835\n0.005829 0.006363 7.123886\nRb P Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.337318 0.337318 0.000001 P\n0.662684 0.662684 0.000003 P\n0.750001 0.250000 0.500002 Ru\n0.250001 0.750001 0.500002 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"P",
"Ru"
],
"chemical_system": "P-Rb-Ru",
"density": 5.420915113939108,
"density_atomic": 0.04669577550967917,
"volume": 107.07606727644115,
"volume_molar": 12.896542983319172,
"formula_full": "Rb1 P2 Ru2",
"formula_reduced": "Rb(PRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.8601144,
"spacegroup": 139
},
{
"id": "jvasp-99886",
"created_at": "2022-09-04T14:36:52.313068Z",
"updated_at": "2022-09-04T14:36:52.313089Z",
"structure_string": "Rb1 P2 Rh2\n1.0\n3.785134 -0.015480 -6.312311\n-0.303341 3.772992 -6.312311\n0.014344 0.015480 7.360184\nRb P Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.344143 0.344143 -0.000000 P\n0.655856 0.655856 -0.000000 P\n0.749999 0.250000 0.499999 Rh\n0.249999 0.750000 0.499999 Rh\n",
"nsites": 5,
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"elements": [
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"P",
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],
"chemical_system": "P-Rb-Rh",
"density": 5.542823563730278,
"density_atomic": 0.04724968306745432,
"volume": 105.82081562032762,
"volume_molar": 12.745356940072393,
"formula_full": "Rb1 P2 Rh2",
"formula_reduced": "Rb(PRh)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.1505874,
"spacegroup": 139
},
{
"id": "jvasp-102602",
"created_at": "2022-09-04T14:36:44.140033Z",
"updated_at": "2022-09-04T14:36:44.140055Z",
"structure_string": "Rb4 P4 Pt2\n1.0\n7.871696 -0.081674 0.000000\n-5.149555 5.954187 0.000000\n-0.000000 -0.000000 6.166781\nRb P Pt\n4 4 2\ndirect\n0.789378 0.210623 0.250000 Rb\n0.210623 0.789378 0.750000 Rb\n0.418223 0.581778 0.250000 Rb\n0.581778 0.418224 0.750000 Rb\n0.935766 0.722846 0.250000 P\n0.064235 0.277155 0.750000 P\n0.277155 0.064236 0.250000 P\n0.722846 0.935766 0.750000 P\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
"nsites": 10,
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"elements": [
"Rb",
"P",
"Pt"
],
"chemical_system": "P-Pt-Rb",
"density": 4.961979117716156,
"density_atomic": 0.03491125255849535,
"volume": 286.440596287531,
"volume_molar": 17.24985590221845,
"formula_full": "Rb4 P4 Pt2",
"formula_reduced": "Rb2P2Pt",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.3088884800000002,
"spacegroup": 63
},
{
"id": "jvasp-35185",
"created_at": "2022-09-04T14:37:56.560897Z",
"updated_at": "2022-09-04T14:37:56.560917Z",
"structure_string": "Rb8 P1 O3\n1.0\n7.116913 -0.000000 0.000000\n-0.000000 7.116913 -0.000000\n0.000000 -0.000000 7.116913\nRb P O\n8 1 3\ndirect\n0.263683 0.263683 0.263683 Rb\n0.736317 0.736317 0.263683 Rb\n0.736317 0.263683 0.736317 Rb\n0.263683 0.736317 0.736317 Rb\n0.263683 0.263683 0.736317 Rb\n0.736317 0.736317 0.736317 Rb\n0.736317 0.263683 0.263683 Rb\n0.263683 0.736317 0.263683 Rb\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"P",
"O"
],
"chemical_system": "O-P-Rb",
"density": 3.51346839413476,
"density_atomic": 0.03328942359567523,
"volume": 360.4748506837761,
"volume_molar": 18.090252427147348,
"formula_full": "Rb8 P1 O3",
"formula_reduced": "Rb8PO3",
"formula_anonymous": "AB3C8",
"energy_above_hull": 0.2083646666666666,
"spacegroup": 221
},
{
"id": "jvasp-99055",
"created_at": "2022-09-04T14:36:18.210609Z",
"updated_at": "2022-09-04T14:36:18.210639Z",
"structure_string": "Rb4 P4 O12\n1.0\n4.233310 0.000000 0.000000\n0.000000 6.423038 -0.706396\n0.000000 -0.052701 12.135439\nRb P O\n4 4 12\ndirect\n0.140447 0.777583 0.091796 Rb\n0.859553 0.222418 0.908204 Rb\n0.359553 0.277583 0.591796 Rb\n0.640447 0.722418 0.408204 Rb\n0.493623 0.318712 0.177968 P\n0.993623 0.181288 0.322032 P\n0.506376 0.681288 0.822032 P\n0.006377 0.818713 0.677968 P\n0.755042 0.651434 0.718435 O\n0.255042 0.848567 0.781565 O\n0.852776 0.026833 0.675770 O\n0.337954 0.212440 0.076347 O\n0.837954 0.287560 0.423653 O\n0.662046 0.787560 0.923653 O\n0.162046 0.712441 0.576347 O\n0.647224 0.526833 0.175769 O\n0.147224 0.973168 0.324230 O\n0.352776 0.473168 0.824230 O\n0.744958 0.151434 0.218435 O\n0.244958 0.348566 0.281565 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"P",
"O"
],
"chemical_system": "O-P-Rb",
"density": 3.311672217877675,
"density_atomic": 0.06064030989637636,
"volume": 329.8136179412092,
"volume_molar": 9.930920159034116,
"formula_full": "Rb4 P4 O12",
"formula_reduced": "RbPO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5001192,
"spacegroup": 14
},
{
"id": "jvasp-34216",
"created_at": "2022-09-04T14:37:14.667824Z",
"updated_at": "2022-09-04T14:37:14.667844Z",
"structure_string": "Rb2 P2 O6\n1.0\n4.858536 0.000000 0.000000\n0.000000 5.379426 -2.483997\n0.000000 -0.003783 7.056334\nRb P O\n2 2 6\ndirect\n0.250000 0.648940 0.297844 Rb\n0.750001 0.351064 0.702155 Rb\n0.250000 0.919037 0.838094 P\n0.750001 0.080964 0.161906 P\n0.750001 0.358124 0.279347 O\n0.750001 0.921317 0.279444 O\n0.250000 0.641877 0.720646 O\n0.250000 0.078692 0.720564 O\n0.500000 -0.000006 0.000000 O\n-0.000000 -0.000006 0.000000 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 2.961917556259404,
"density_atomic": 0.054235922724923016,
"volume": 184.37964171308738,
"volume_molar": 11.103601556745797,
"formula_full": "Rb2 P2 O6",
"formula_reduced": "RbPO3",
"formula_anonymous": "ABC3",
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"spacegroup": 63
},
{
"id": "jvasp-99574",
"created_at": "2022-09-04T14:36:22.351146Z",
"updated_at": "2022-09-04T14:36:22.351164Z",
"structure_string": "Rb1 P2 Ir2\n1.0\n3.786906 -0.046780 -6.285518\n-0.332582 3.772563 -6.285518\n0.043372 0.046780 7.338018\nRb P Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.345634 0.345633 0.000000 P\n0.654368 0.654366 0.000000 P\n0.750001 0.250000 0.500000 Ir\n0.250000 0.749999 0.500000 Ir\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Ir-P-Rb",
"density": 8.25597904047783,
"density_atomic": 0.0467413096782924,
"volume": 106.97175655568118,
"volume_molar": 12.883979506455297,
"formula_full": "Rb1 P2 Ir2",
"formula_reduced": "Rb(PIr)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-36963",
"created_at": "2022-09-04T14:38:08.033848Z",
"updated_at": "2022-09-04T14:38:08.033876Z",
"structure_string": "Rb2 Os2 O6\n1.0\n-5.078316 -0.000000 2.179333\n-3.006783 4.636598 0.000000\n-5.037766 0.026297 -4.732629\nRb Os O\n2 2 6\ndirect\n0.863274 0.863274 0.410178 Rb\n0.136727 0.136725 0.589822 Rb\n0.665720 0.665719 0.002841 Os\n0.334280 0.334280 0.997162 Os\n0.467898 0.650136 0.826272 O\n0.055694 0.467898 0.826272 O\n0.650136 0.055696 0.826271 O\n0.532103 0.349865 0.173728 O\n0.349865 0.944305 0.173729 O\n0.944304 0.532102 0.173730 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "O-Os-Rb",
"density": 6.629059665753249,
"density_atomic": 0.06166454084604151,
"volume": 162.16775253329303,
"volume_molar": 9.765970324883371,
"formula_full": "Rb2 Os2 O6",
"formula_reduced": "RbOsO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.3393651,
"spacegroup": 148
},
{
"id": "jvasp-35638",
"created_at": "2022-09-04T14:37:37.531331Z",
"updated_at": "2022-09-04T14:37:37.531358Z",
"structure_string": "Rb1 Os1 O3\n1.0\n3.972327 -0.000003 0.000031\n-0.000007 3.972332 0.000020\n-0.000019 -0.000029 3.972496\nRb Os O\n1 1 3\ndirect\n0.000004 0.987978 0.001990 Rb\n0.499998 0.488004 0.502000 Os\n-0.000001 0.488000 0.502007 O\n0.500001 0.988009 0.501996 O\n0.499996 0.488011 0.002007 O\n",
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"volume": 62.68360996765411,
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"formula_full": "Rb1 Os1 O3",
"formula_reduced": "RbOsO3",
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"energy_above_hull": 2.3417251,
"spacegroup": 221
},
{
"id": "jvasp-21537",
"created_at": "2022-09-04T14:36:38.320988Z",
"updated_at": "2022-09-04T14:36:38.321019Z",
"structure_string": "Rb2 Os4 O12\n1.0\n6.259001 -0.000000 3.613635\n2.086334 5.901042 3.613635\n0.000000 0.000000 7.227272\nRb Os O\n2 4 12\ndirect\n0.625000 0.625000 0.625001 Rb\n0.375000 0.375000 0.375001 Rb\n-0.000000 0.500000 0.000001 Os\n0.000000 0.000000 0.000000 Os\n-0.000000 -0.000000 0.500000 Os\n0.500000 0.000000 0.000000 Os\n0.065752 0.684247 0.065753 O\n0.684247 0.065753 0.684248 O\n0.684247 0.065753 0.065753 O\n0.315752 0.934247 0.934248 O\n0.934247 0.315752 0.315753 O\n0.315752 0.934247 0.315754 O\n0.315752 0.315752 0.934248 O\n0.934247 0.934247 0.315754 O\n0.934247 0.315752 0.934248 O\n0.065752 0.684247 0.684248 O\n0.684247 0.684247 0.065754 O\n0.065753 0.065753 0.684247 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 6.9911513254498585,
"density_atomic": 0.06743174192138755,
"volume": 266.93660117789244,
"volume_molar": 8.930721034940277,
"formula_full": "Rb2 Os4 O12",
"formula_reduced": "Rb(OsO3)2",
"formula_anonymous": "AB2C6",
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"spacegroup": 227
}
]
}