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"results": [
{
"id": "mp-1111723",
"created_at": "2022-09-04T14:39:16.526295Z",
"structure_string": "Rb2 Tl1 Ag1 Br6\n1.0\n0.000000 5.624950 5.624950\n5.624950 0.000000 5.624950\n5.624950 5.624950 0.000000\nRb Tl Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n0.748351 0.251649 0.251649 Br\n0.251649 0.251649 0.748351 Br\n0.251649 0.748351 0.748351 Br\n0.251649 0.748351 0.251649 Br\n0.748351 0.251649 0.748351 Br\n0.748351 0.748351 0.251649 Br\n",
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"spacegroup": 225
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{
"id": "mp-28006",
"created_at": "2022-09-04T14:41:17.930306Z",
"structure_string": "Ca1 Cu4 As2\n1.0\n7.625697 -2.081987 0.000000\n7.625697 2.081987 0.000000\n7.057268 0.000000 3.561024\nCa Cu As\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.144233 0.144233 0.144233 Cu\n0.563176 0.563176 0.563176 Cu\n0.855767 0.855767 0.855767 Cu\n0.436824 0.436824 0.436824 Cu\n0.253182 0.253182 0.253182 As\n0.746818 0.746818 0.746818 As\n",
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"formula_full": "Ca1 Cu4 As2",
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"updated_at": "2021-11-28T01:35:18.295000Z",
"spacegroup": 166
},
{
"id": "mp-1026521",
"created_at": "2022-09-04T14:41:16.526744Z",
"structure_string": "Na1 Mg14 Ti1\n1.0\n6.410727 -0.042269 0.000000\n-3.241969 5.615255 0.000000\n0.000000 0.000000 10.248929\nNa Mg Ti\n1 14 1\ndirect\n0.167673 0.833836 0.125000 Na\n0.166868 0.333433 0.625000 Mg\n0.167912 0.833955 0.625000 Mg\n0.663639 0.329352 0.125000 Mg\n0.666638 0.332987 0.625000 Mg\n0.663639 0.834285 0.125000 Mg\n0.666638 0.833650 0.625000 Mg\n0.331160 0.173369 0.374006 Mg\n0.331160 0.173369 0.875994 Mg\n0.331160 0.657792 0.374006 Mg\n0.331160 0.657792 0.875994 Mg\n0.840854 0.170428 0.370420 Mg\n0.840854 0.170428 0.879580 Mg\n0.829484 0.664742 0.376710 Mg\n0.829484 0.664742 0.873290 Mg\n0.171677 0.335838 0.125000 Ti\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Mg-Na-Ti",
"density": 1.857487955878592,
"density_atomic": 0.04353325453854022,
"volume": 367.53512158929254,
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"formula_full": "Na1 Mg14 Ti1",
"formula_reduced": "NaMg14Ti",
"formula_anonymous": "ABC14",
"energy": -30.12750001,
"energy_per_atom": -1.882968750625,
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"updated_at": "2021-11-28T01:35:28.144000Z",
"spacegroup": 38
},
{
"id": "mp-997001",
"created_at": "2022-09-04T14:41:09.741680Z",
"structure_string": "Ag2 Hg2 O4\n1.0\n3.904880 0.000000 0.000000\n0.000000 5.686660 0.000000\n0.000000 1.883706 5.837750\nAg Hg O\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.703660 0.282590 0.795080 O\n0.296340 0.717410 0.204920 O\n0.796340 0.282590 0.295080 O\n0.203660 0.717410 0.704920 O\n",
"nsites": 8,
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"density": 8.722297859369537,
"density_atomic": 0.061713409303286115,
"volume": 129.6314705396452,
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"formula_full": "Ag2 Hg2 O4",
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"updated_at": "2021-11-28T01:35:14.810000Z",
"spacegroup": 14
},
{
"id": "mp-10040",
"created_at": "2022-09-04T14:43:01.586452Z",
"structure_string": "Al1 Pt3 C1\n1.0\n4.185150 0.000000 0.000000\n0.000000 4.185150 0.000000\n0.000000 0.000000 4.185150\nAl Pt C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
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"chemical_system": "Al-C-Pt",
"density": 14.140688509233518,
"density_atomic": 0.06820825200271806,
"volume": 73.3049133087409,
"volume_molar": 8.829050126896702,
"formula_full": "Al1 Pt3 C1",
"formula_reduced": "AlPt3C",
"formula_anonymous": "ABC3",
"energy": -30.12851618,
"energy_per_atom": -6.025703236,
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"updated_at": "2021-11-28T01:36:07.808000Z",
"spacegroup": 221
},
{
"id": "mp-641923",
"created_at": "2022-09-04T14:45:07.968787Z",
"structure_string": "Cs2 Sn1 Br6\n1.0\n0.000000 5.617715 5.617715\n5.617715 0.000000 5.617715\n5.617715 5.617715 0.000000\nCs Sn Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Sn\n0.236770 0.763230 0.236770 Br\n0.763230 0.236770 0.763230 Br\n0.763230 0.236770 0.236770 Br\n0.763230 0.763230 0.236770 Br\n0.236770 0.763230 0.763230 Br\n0.236770 0.236770 0.763230 Br\n",
"nsites": 9,
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"elements": [
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"Sn",
"Br"
],
"chemical_system": "Br-Cs-Sn",
"density": 4.0460015151810556,
"density_atomic": 0.025382442198292,
"volume": 354.5758099118459,
"volume_molar": 23.725615970890438,
"formula_full": "Cs2 Sn1 Br6",
"formula_reduced": "Cs2SnBr6",
"formula_anonymous": "AB2C6",
"energy": -30.1341445,
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"updated_at": "2021-11-28T01:36:48.817000Z",
"spacegroup": 225
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{
"id": "mp-1001603",
"created_at": "2022-09-04T14:47:17.820096Z",
"structure_string": "Lu1 Ni1 C2\n1.0\n2.248678 -2.979562 0.000000\n2.248678 2.979562 0.000000\n0.000000 0.000000 3.468055\nLu Ni C\n1 1 2\ndirect\n0.000990 0.999010 0.000000 Lu\n0.612294 0.387706 0.500000 Ni\n0.453978 0.852261 0.500000 C\n0.147739 0.546022 0.500000 C\n",
"nsites": 4,
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"elements": [
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],
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"density": 9.207403443008785,
"density_atomic": 0.08607248100109403,
"volume": 46.47246080834079,
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"formula_full": "Lu1 Ni1 C2",
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"updated_at": "2021-11-28T01:38:00.127000Z",
"spacegroup": 38
},
{
"id": "mp-1206405",
"created_at": "2022-09-04T14:41:49.049541Z",
"structure_string": "Cs1 P2 Rh2\n1.0\n-1.981360 1.981360 7.270996\n1.981360 -1.981360 7.270996\n1.981360 1.981360 -7.270996\nCs P Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Cs\n0.336565 0.336565 0.000000 P\n0.663435 0.663435 0.000000 P\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
"nsites": 5,
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"volume": 114.1775393715672,
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"formula_full": "Cs1 P2 Rh2",
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{
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"structure_string": "Hf2 U1\n1.0\n2.600321 -4.503888 0.000000\n2.600321 4.503888 0.000000\n0.000000 0.000000 2.965284\nHf U\n2 1\ndirect\n0.333333 0.666667 0.500000 Hf\n0.666667 0.333333 0.500000 Hf\n0.000000 0.000000 0.000000 U\n",
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{
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"structure_string": "Na1 Mo3\n1.0\n0.000000 3.204916 3.204916\n3.204916 0.000000 3.204916\n3.204916 3.204916 0.000000\nNa Mo\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Mo\n0.750000 0.750000 0.750000 Mo\n0.500000 0.500000 0.500000 Mo\n",
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{
"id": "mp-1210578",
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"structure_string": "Nb1 S6\n1.0\n4.555855 -8.419017 0.000000\n4.555855 8.419017 0.000000\n0.000000 0.000000 51.726074\nNb S\n1 6\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.249996 S\n0.000000 0.000000 0.750004 S\n0.242245 0.990732 0.000000 S\n0.757755 0.009268 0.000000 S\n0.990732 0.242245 0.000000 S\n0.009268 0.757755 0.000000 S\n",
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"spacegroup": 65
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{
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"structure_string": "Ti1 Al1 V2\n1.0\n1.599088 -2.167678 0.000000\n1.599088 2.167678 0.000000\n0.000000 0.000000 8.595073\nTi Al V\n1 1 2\ndirect\n0.500000 0.500000 0.739029 Ti\n0.000000 0.000000 0.010639 Al\n0.000000 0.000000 0.490720 V\n0.500000 0.500000 0.259612 V\n",
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]
}