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{
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"results": [
{
"id": "jvasp-90276",
"created_at": "2022-09-04T14:36:04.443454Z",
"updated_at": "2022-09-04T14:36:04.443487Z",
"structure_string": "Mn3 P3 Rh3\n1.0\n0.000000 0.000000 -3.571590\n-3.119093 -5.402426 0.000000\n-3.119265 5.402526 0.000000\nMn P Rh\n3 3 3\ndirect\n0.500000 0.599870 -0.000000 Mn\n0.500000 0.400104 0.400109 Mn\n0.500000 -0.000005 0.599892 Mn\n0.000000 0.333306 0.666649 P\n0.000000 0.666657 0.333352 P\n0.500000 -0.000007 0.000000 P\n0.000000 0.265693 -0.000000 Rh\n0.000000 0.734300 0.734317 Rh\n0.000000 -0.000017 0.265684 Rh\n",
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"elements": [
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],
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"formula_full": "Mn3 P3 Rh3",
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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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"S"
],
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"density_atomic": 0.039312130390522705,
"volume": 559.6237034588113,
"volume_molar": 15.318785067552094,
"formula_full": "Rb4 Mn2 P4 S12",
"formula_reduced": "Rb2Mn(PS3)2",
"formula_anonymous": "AB2C2D6",
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"spacegroup": 14
},
{
"id": "jvasp-93503",
"created_at": "2022-09-04T14:36:03.604083Z",
"updated_at": "2022-09-04T14:36:03.604111Z",
"structure_string": "Rb2 Mn2 P2\n1.0\n3.822666 0.000000 -0.000000\n0.000000 3.822666 0.000000\n0.000000 -0.000000 11.153337\nRb Mn P\n2 2 2\ndirect\n0.750001 0.750001 0.295707 Rb\n0.250000 0.250000 0.704293 Rb\n0.750001 0.250000 0.000000 Mn\n0.250000 0.750001 0.000000 Mn\n0.750001 0.750001 0.887154 P\n0.250000 0.250000 0.112846 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Mn",
"P"
],
"chemical_system": "Mn-P-Rb",
"density": 3.492212828829486,
"density_atomic": 0.036814060192745114,
"volume": 162.9812079565842,
"volume_molar": 16.358262925823034,
"formula_full": "Rb2 Mn2 P2",
"formula_reduced": "RbMnP",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7127075804597702,
"spacegroup": 129
},
{
"id": "jvasp-13896",
"created_at": "2022-09-04T14:37:03.931583Z",
"updated_at": "2022-09-04T14:37:03.931609Z",
"structure_string": "Rb2 Mn2 P2\n1.0\n3.823103 -0.000000 -0.000000\n0.000000 3.823103 -0.000000\n0.000000 0.000000 11.151768\nRb Mn P\n2 2 2\ndirect\n0.500000 0.000000 0.295659 Rb\n0.000000 0.500000 0.704341 Rb\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.887221 P\n0.000000 0.500000 0.112779 P\n",
"nsites": 6,
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"elements": [
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"Mn",
"P"
],
"chemical_system": "Mn-P-Rb",
"density": 3.491905744488501,
"density_atomic": 0.03681082298414204,
"volume": 162.99554081104833,
"volume_molar": 16.359701500274294,
"formula_full": "Rb2 Mn2 P2",
"formula_reduced": "RbMnP",
"formula_anonymous": "ABC",
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"spacegroup": 129
},
{
"id": "jvasp-110090",
"created_at": "2022-09-04T14:37:54.975069Z",
"updated_at": "2022-09-04T14:37:54.975092Z",
"structure_string": "Mn3 P3 Pd3\n1.0\n6.380357 -0.000000 0.000000\n-3.190177 5.525551 0.000000\n0.000000 -0.000000 3.623379\nMn P Pd\n3 3 3\ndirect\n0.602890 0.000000 -0.000000 Mn\n-0.000000 0.602889 -0.000000 Mn\n0.397111 0.397111 -0.000000 Mn\n0.333333 0.666666 0.500000 P\n0.666667 0.333333 0.500000 P\n0.000000 0.000000 0.000000 P\n0.267289 0.000000 0.500000 Pd\n-0.000000 0.267288 0.500000 Pd\n0.732712 0.732711 0.500000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
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"P",
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],
"chemical_system": "Mn-P-Pd",
"density": 7.500446712578567,
"density_atomic": 0.07045440884611988,
"volume": 127.74218317063709,
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"formula_full": "Mn3 P3 Pd3",
"formula_reduced": "MnPPd",
"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"id": "jvasp-21107",
"created_at": "2022-09-04T14:37:17.757133Z",
"updated_at": "2022-09-04T14:37:17.757152Z",
"structure_string": "Mn3 P6 Pd20\n1.0\n7.403708 -0.000000 4.274533\n2.467903 6.980283 4.274533\n0.000000 0.000000 8.549065\nMn P Pd\n3 6 20\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.266124 0.266123 0.733877 P\n0.266123 0.733876 0.733877 P\n0.266123 0.733876 0.266124 P\n0.733877 0.733876 0.266123 P\n0.733877 0.266123 0.266123 P\n0.733877 0.266123 0.733877 P\n-0.000000 0.657988 0.000000 Pd\n0.619512 0.619512 0.141464 Pd\n0.141464 0.619512 0.619512 Pd\n0.619512 0.141464 0.619512 Pd\n0.858536 0.380488 0.380488 Pd\n0.657989 0.000000 -0.000000 Pd\n0.000000 0.000000 0.657989 Pd\n0.657989 0.000000 0.342011 Pd\n0.657989 0.342011 -0.000000 Pd\n0.380488 0.380488 0.858536 Pd\n-0.000000 0.342011 0.000000 Pd\n-0.000000 0.657988 0.342012 Pd\n0.380488 0.380488 0.380488 Pd\n0.342011 0.657988 -0.000000 Pd\n0.000000 0.000000 0.342012 Pd\n0.342011 0.000000 -0.000000 Pd\n0.619512 0.619512 0.619512 Pd\n0.380488 0.858536 0.380488 Pd\n0.342011 0.000000 0.657989 Pd\n-0.000000 0.342011 0.657989 Pd\n",
"nsites": 29,
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"elements": [
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],
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"density": 9.317397568804564,
"density_atomic": 0.06563826097959413,
"volume": 441.8154833354837,
"volume_molar": 9.17474148480592,
"formula_full": "Mn3 P6 Pd20",
"formula_reduced": "Mn3(P3Pd10)2",
"formula_anonymous": "A3B6C20",
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"spacegroup": 225
},
{
"id": "jvasp-81196",
"created_at": "2022-09-04T14:37:15.888345Z",
"updated_at": "2022-09-04T14:37:15.888356Z",
"structure_string": "Mn1 Tl1 Pd2\n1.0\n-9.243252 0.000000 -5.336594\n-6.011708 0.184503 -0.260606\n-5.171961 2.559662 -1.715088\nMn Tl Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000001 -0.000000 Tl\n0.766832 0.000001 -0.000000 Pd\n0.233167 0.000000 -0.000000 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 10.625913585044621,
"density_atomic": 0.05421091583416154,
"volume": 73.78587759403543,
"volume_molar": 11.108723524285288,
"formula_full": "Mn1 Tl1 Pd2",
"formula_reduced": "MnTlPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8079103103448275,
"spacegroup": 71
},
{
"id": "jvasp-18303",
"created_at": "2022-09-04T14:38:10.389446Z",
"updated_at": "2022-09-04T14:38:10.389478Z",
"structure_string": "Mn1 Te1 Pd1\n1.0\n3.879255 0.000000 2.239689\n1.293085 3.657397 2.239689\n0.000000 0.000000 4.479378\nMn Te Pd\n1 1 1\ndirect\n0.499999 0.500000 0.500001 Mn\n0.000000 0.000000 0.000000 Te\n0.249999 0.250000 0.250001 Pd\n",
"nsites": 3,
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"elements": [
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],
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"density": 7.549978975358775,
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"volume": 63.553305763750075,
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"formula_full": "Mn1 Te1 Pd1",
"formula_reduced": "MnTePd",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-54621",
"created_at": "2022-09-04T14:37:07.900364Z",
"updated_at": "2022-09-04T14:37:07.900395Z",
"structure_string": "Mn1 Te1 Pd1\n1.0\n3.893411 -0.000021 2.247837\n1.297789 3.670775 2.247828\n-0.000028 -0.000030 4.495723\nMn Te Pd\n1 1 1\ndirect\n0.500000 0.500010 0.500007 Mn\n0.250000 0.250001 0.249996 Te\n0.999997 0.999993 0.999997 Pd\n",
"nsites": 3,
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"formula_full": "Mn1 Te1 Pd1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-51140",
"created_at": "2022-09-04T14:37:05.258678Z",
"updated_at": "2022-09-04T14:37:05.258704Z",
"structure_string": "Mn1 Tc1 Pd1\n1.0\n-0.000000 2.845281 2.845281\n2.845281 0.000000 2.845281\n2.845281 2.845281 -0.000000\nMn Tc Pd\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.500000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
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"elements": [
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],
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"density": 9.348530178325927,
"density_atomic": 0.06512020629910525,
"volume": 46.06865012405865,
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"formula_full": "Mn1 Tc1 Pd1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-17721",
"created_at": "2022-09-04T14:37:35.397934Z",
"updated_at": "2022-09-04T14:37:35.397955Z",
"structure_string": "Mn1 Sn1 Pd2\n1.0\n3.929462 0.000000 2.268676\n1.309821 3.704732 2.268676\n-0.000000 -0.000000 4.537352\nMn Sn Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500001 Sn\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750001 Pd\n",
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],
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"formula_full": "Mn1 Sn1 Pd2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-15220",
"created_at": "2022-09-04T14:37:40.520565Z",
"updated_at": "2022-09-04T14:37:40.520585Z",
"structure_string": "Mn1 Sb1 Pd2\n1.0\n3.964370 0.000000 2.288829\n1.321456 3.737643 2.288829\n0.000000 0.000000 4.577660\nMn Sb Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500000 0.500000 Sb\n0.250000 0.250000 0.250000 Pd\n0.750001 0.749999 0.750000 Pd\n",
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}
]
}