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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=11481",
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"results": [
{
"id": "mp-1021383",
"created_at": "2022-09-04T14:44:23.272647Z",
"structure_string": "Rb1 Mg6 Ti1\n1.0\n6.900649 0.000000 0.000000\n0.000000 6.900649 0.000000\n0.000000 0.000000 4.462765\nRb Mg Ti\n1 6 1\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.214570 0.785430 0.000000 Mg\n0.785430 0.214570 0.000000 Mg\n0.214570 0.214570 0.000000 Mg\n0.785430 0.785430 0.000000 Mg\n0.000000 0.000000 0.500000 Ti\n",
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"volume": 212.51221294561407,
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"formula_full": "Rb1 Mg6 Ti1",
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{
"id": "mp-862727",
"created_at": "2022-09-04T14:45:54.044473Z",
"structure_string": "Pm2 Zn1 Pb1\n1.0\n0.000000 3.803127 3.803127\n3.803127 0.000000 3.803127\n3.803127 3.803127 0.000000\nPm Zn Pb\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Pm\n0.250000 0.250000 0.250000 Pm\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Pb\n",
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"volume": 110.0151462824936,
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"formula_full": "Pm2 Zn1 Pb1",
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"updated_at": "2021-11-28T01:37:08.915000Z",
"spacegroup": 225
},
{
"id": "mp-1079970",
"created_at": "2022-09-04T14:41:09.693996Z",
"structure_string": "Se1 Br6 O2\n1.0\n0.000000 4.903004 4.903004\n4.903004 0.000000 4.903004\n4.903004 4.903004 0.000000\nSe Br O\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Se\n0.259341 0.259341 0.740659 Br\n0.740659 0.259341 0.740659 Br\n0.259341 0.740659 0.740659 Br\n0.740659 0.740659 0.259341 Br\n0.259341 0.740659 0.259341 Br\n0.740659 0.259341 0.259341 Br\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.750000 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Se",
"Br",
"O"
],
"chemical_system": "Br-O-Se",
"density": 4.158781042026002,
"density_atomic": 0.03817910743737707,
"volume": 235.7310216002867,
"volume_molar": 15.773393261950302,
"formula_full": "Se1 Br6 O2",
"formula_reduced": "Se(Br3O)2",
"formula_anonymous": "AB2C6",
"energy": -16.107888340000002,
"energy_per_atom": -1.7897653711111114,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:14.190000Z",
"spacegroup": 225
},
{
"id": "mp-570118",
"created_at": "2022-09-04T14:47:23.265897Z",
"structure_string": "Yb1 Tl1 Se2\n1.0\n7.203872 -2.131790 0.000000\n7.203872 2.131790 0.000000\n6.573026 0.000000 3.638079\nYb Tl Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Tl\n0.743652 0.743652 0.743652 Se\n0.256348 0.256348 0.256348 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Tl",
"Se"
],
"chemical_system": "Se-Tl-Yb",
"density": 7.95552674057531,
"density_atomic": 0.03579706843682919,
"volume": 111.74099373692482,
"volume_molar": 16.822999823650992,
"formula_full": "Yb1 Tl1 Se2",
"formula_reduced": "YbTlSe2",
"formula_anonymous": "ABC2",
"energy": -16.1066539,
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"updated_at": "2021-11-28T01:38:08.613000Z",
"spacegroup": 166
},
{
"id": "mp-1093845",
"created_at": "2022-09-04T14:47:05.947170Z",
"structure_string": "Ti1 Be1 Pt2\n1.0\n-4.456843 5.381845 7.613082\n4.456843 -5.381845 7.613082\n4.456843 5.381845 -7.613082\nTi Be Pt\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Be\n0.000000 0.248315 0.248315 Pt\n0.000000 0.751685 0.751685 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Be",
"Pt"
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"chemical_system": "Be-Pt-Ti",
"density": 1.016303541347734,
"density_atomic": 0.005476221060709057,
"volume": 730.430703153916,
"volume_molar": 109.96891274546647,
"formula_full": "Ti1 Be1 Pt2",
"formula_reduced": "TiBePt2",
"formula_anonymous": "ABC2",
"energy": -16.10542067,
"energy_per_atom": -4.0263551675,
"energy_above_hull": null,
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"energy_uncorrected": -16.10542067,
"band_gap": 0.2260999999999997,
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"updated_at": "2021-11-28T01:37:56.592000Z",
"spacegroup": 71
},
{
"id": "mp-568269",
"created_at": "2022-09-04T14:47:10.584488Z",
"structure_string": "Tm1 Ni1 Bi1\n1.0\n0.000000 3.213358 3.213358\n3.213358 0.000000 3.213358\n3.213358 3.213358 0.000000\nTm Ni Bi\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.750000 0.750000 0.750000 Ni\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 3,
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"elements": [
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"Ni",
"Bi"
],
"chemical_system": "Bi-Ni-Tm",
"density": 10.925302282172048,
"density_atomic": 0.04520785695951355,
"volume": 66.36014626144934,
"volume_molar": 13.321004721354523,
"formula_full": "Tm1 Ni1 Bi1",
"formula_reduced": "TmNiBi",
"formula_anonymous": "ABC",
"energy": -16.10493064,
"energy_per_atom": -5.368310213333333,
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -16.10493064,
"band_gap": 0.1490999999999998,
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"total_magnetization": 3.83e-05,
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"updated_at": "2021-11-28T01:38:00.076000Z",
"spacegroup": 216
},
{
"id": "mp-1210753",
"created_at": "2022-09-04T14:42:14.804104Z",
"structure_string": "Li4 Al2\n1.0\n2.298196 -4.811032 0.000000\n2.298196 4.811032 0.000000\n0.000000 0.000000 4.442822\nLi Al\n4 2\ndirect\n0.241475 0.758525 0.250000 Li\n0.758525 0.241475 0.750000 Li\n0.590925 0.409075 0.250000 Li\n0.409075 0.590925 0.750000 Li\n0.922945 0.077055 0.250000 Al\n0.077055 0.922945 0.750000 Al\n",
"nsites": 6,
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"elements": [
"Li",
"Al"
],
"chemical_system": "Al-Li",
"density": 1.3813408192908319,
"density_atomic": 0.061071281189861416,
"volume": 98.2458511284036,
"volume_molar": 9.860839076354189,
"formula_full": "Li4 Al2",
"formula_reduced": "Li2Al",
"formula_anonymous": "AB2",
"energy": -16.10434414,
"energy_per_atom": -2.6840573566666666,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"total_magnetization": 3.29e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.924000Z",
"spacegroup": 63
},
{
"id": "mp-972455",
"created_at": "2022-09-04T14:48:19.771129Z",
"structure_string": "Tm1 Lu1 In2\n1.0\n0.000000 3.715166 3.715166\n3.715166 0.000000 3.715166\n3.715166 3.715166 0.000000\nTm Lu In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
"nsites": 4,
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"elements": [
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"Lu",
"In"
],
"chemical_system": "In-Lu-Tm",
"density": 9.286371006495003,
"density_atomic": 0.039002758596968355,
"volume": 102.55684838433238,
"volume_molar": 15.440294421810705,
"formula_full": "Tm1 Lu1 In2",
"formula_reduced": "TmLuIn2",
"formula_anonymous": "ABC2",
"energy": -16.10379242,
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"energy_above_hull": null,
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"energy_uncorrected": -16.10379242,
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"updated_at": "2021-11-28T01:38:51.758000Z",
"spacegroup": 225
},
{
"id": "mp-1228329",
"created_at": "2022-09-04T14:42:22.152050Z",
"structure_string": "Ba2 Pt1 Au1\n1.0\n2.251485 -6.040415 0.000000\n2.251485 6.040415 0.000000\n0.000000 0.000000 4.846852\nBa Pt Au\n2 1 1\ndirect\n0.137252 0.862748 0.500000 Ba\n0.863329 0.136671 0.000000 Ba\n0.423862 0.576138 0.500000 Pt\n0.575558 0.424442 0.000000 Au\n",
"nsites": 4,
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"elements": [
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"density": 8.397633937059622,
"density_atomic": 0.03034131517247936,
"volume": 131.83344153875507,
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"formula_full": "Ba2 Pt1 Au1",
"formula_reduced": "Ba2PtAu",
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"updated_at": "2021-11-28T01:35:46.763000Z",
"spacegroup": 38
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{
"id": "mp-30493",
"created_at": "2022-09-04T14:41:36.637691Z",
"structure_string": "Zn1 Cd1 Pt2\n1.0\n2.954128 0.000000 0.000000\n0.000000 2.954128 0.000000\n0.000000 0.000000 7.387408\nZn Cd Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.224705 Pt\n0.500000 0.500000 0.775295 Pt\n",
"nsites": 4,
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"density": 14.62977188486976,
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"volume": 64.46896580359068,
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"updated_at": "2021-11-28T01:35:31.179000Z",
"spacegroup": 123
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{
"id": "mp-1099335",
"created_at": "2022-09-04T14:39:42.297048Z",
"structure_string": "Ba1 Mg6 Si1\n1.0\n3.599614 -6.172467 0.000000\n3.599614 6.172467 0.000000\n0.000000 0.000000 4.865628\nBa Mg Si\n1 6 1\ndirect\n0.674503 0.325497 0.500000 Ba\n0.858748 0.737037 0.000000 Mg\n0.262963 0.141252 0.000000 Mg\n0.334376 0.665624 0.000000 Mg\n0.698690 0.858489 0.500000 Mg\n0.141511 0.301310 0.500000 Mg\n0.160208 0.839792 0.500000 Mg\n0.869000 0.131000 0.000000 Si\n",
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"density": 2.3903659062649196,
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"volume": 216.2138980821672,
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"formula_full": "Ba1 Mg6 Si1",
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"updated_at": "2021-11-28T01:34:38.284000Z",
"spacegroup": 38
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{
"id": "mp-1023215",
"created_at": "2022-09-04T14:41:54.223003Z",
"structure_string": "Ca1 Mg6 B1\n1.0\n2.937631 -6.687241 0.000000\n2.937631 6.687241 0.000000\n0.000000 0.000000 4.605780\nCa Mg B\n1 6 1\ndirect\n0.804812 0.195188 0.500000 Ca\n0.304752 0.190672 0.500000 Mg\n0.809328 0.695248 0.500000 Mg\n0.181553 0.351823 0.000000 Mg\n0.648177 0.818447 0.000000 Mg\n0.643381 0.356619 0.000000 Mg\n0.198592 0.801408 0.000000 Mg\n0.409410 0.590590 0.500000 B\n",
"nsites": 8,
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"density": 1.805169565257555,
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"volume": 180.957839601001,
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"formula_full": "Ca1 Mg6 B1",
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"formula_anonymous": "ABC6",
"energy": -16.09813978,
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"updated_at": "2021-11-28T01:35:40.953000Z",
"spacegroup": 38
}
]
}