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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=12151",
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"results": [
{
"id": "mp-974981",
"created_at": "2022-09-04T14:41:12.912628Z",
"structure_string": "Rb3 Mg1\n1.0\n-2.517592 3.711235 7.282531\n2.517592 -3.711235 7.282531\n2.517592 3.711235 -7.282531\nRb Mg\n3 1\ndirect\n0.759484 0.708633 0.050851 Rb\n0.090383 0.500000 0.590383 Rb\n0.342219 0.291367 0.050851 Rb\n0.641244 0.000000 0.641244 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "Mg-Rb",
"density": 1.7126095749447197,
"density_atomic": 0.014696497761812649,
"volume": 272.1736882370433,
"volume_molar": 40.97670654329577,
"formula_full": "Rb3 Mg1",
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{
"id": "mp-983365",
"created_at": "2022-09-04T14:44:56.779844Z",
"structure_string": "K3 Hg1\n1.0\n-2.942159 2.942159 5.946657\n2.942159 -2.942159 5.946657\n2.942159 2.942159 -5.946657\nK Hg\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Hg-K",
"density": 2.5636210992340356,
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"volume": 205.90417799648694,
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"formula_full": "K3 Hg1",
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"energy_uncorrected": -3.86031069,
"band_gap": 0.0,
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"total_magnetization": 0.0390885,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.473000Z",
"spacegroup": 139
},
{
"id": "mp-1093935",
"created_at": "2022-09-04T14:41:19.900384Z",
"structure_string": "Sr2 Tl1 Ga1\n1.0\n-6.441521 7.022453 9.867292\n6.441521 -7.022453 9.867292\n6.441521 7.022453 -9.867292\nSr Tl Ga\n2 1 1\ndirect\n0.000000 0.238828 0.238828 Sr\n0.000000 0.761172 0.761172 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Tl",
"Ga"
],
"chemical_system": "Ga-Sr-Tl",
"density": 0.41792180171955423,
"density_atomic": 0.002240395808308836,
"volume": 1785.398805499195,
"volume_molar": 268.7980729863004,
"formula_full": "Sr2 Tl1 Ga1",
"formula_reduced": "Sr2TlGa",
"formula_anonymous": "ABC2",
"energy": -3.85411723,
"energy_per_atom": -0.9635293075,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.85411723,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9808662,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.415000Z",
"spacegroup": 71
},
{
"id": "mp-1093549",
"created_at": "2022-09-04T14:47:12.013538Z",
"structure_string": "Ba1 Hg2 Sb1\n1.0\n-5.880127 7.010871 9.789373\n5.880127 -7.010871 9.789373\n5.880127 7.010871 -9.789373\nBa Hg Sb\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.228019 0.228019 Hg\n0.000000 0.771981 0.771981 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Sb"
],
"chemical_system": "Ba-Hg-Sb",
"density": 0.6791960306576301,
"density_atomic": 0.0024779152080397866,
"volume": 1614.260240633615,
"volume_molar": 243.0325598091775,
"formula_full": "Ba1 Hg2 Sb1",
"formula_reduced": "BaHg2Sb",
"formula_anonymous": "ABC2",
"energy": -4.04515391,
"energy_per_atom": -1.0112884775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.85315391,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012678,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.673000Z",
"spacegroup": 71
},
{
"id": "mp-1096124",
"created_at": "2022-09-04T14:40:07.529368Z",
"structure_string": "Li2 Cd1 In1\n1.0\n-5.660132 5.763134 8.005316\n5.660132 -5.763134 8.005316\n5.660132 5.763134 -8.005316\nLi Cd In\n2 1 1\ndirect\n0.748549 0.000000 0.748549 Li\n0.251451 0.000000 0.251451 Li\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"In"
],
"chemical_system": "Cd-In-Li",
"density": 0.3833031369224365,
"density_atomic": 0.0038294485860772293,
"volume": 1044.5368073468453,
"volume_molar": 157.2586920710926,
"formula_full": "Li2 Cd1 In1",
"formula_reduced": "Li2CdIn",
"formula_anonymous": "ABC2",
"energy": -3.84571928,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -3.84571928,
"band_gap": 0.0022999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0003942,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.160000Z",
"spacegroup": 71
},
{
"id": "mp-1096552",
"created_at": "2022-09-04T14:43:38.608374Z",
"structure_string": "Li2 Zn1 In1\n1.0\n-5.659438 5.666380 7.984573\n5.659438 -5.666380 7.984573\n5.659438 5.666380 -7.984573\nLi Zn In\n2 1 1\ndirect\n0.000000 0.249083 0.249083 Li\n0.000000 0.750917 0.750917 Li\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"In"
],
"chemical_system": "In-Li-Zn",
"density": 0.3147053167340577,
"density_atomic": 0.003905433990073246,
"volume": 1024.2139568015027,
"volume_molar": 154.19901540538024,
"formula_full": "Li2 Zn1 In1",
"formula_reduced": "Li2ZnIn",
"formula_anonymous": "ABC2",
"energy": -3.84474231,
"energy_per_atom": -0.9611855775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.84474231,
"band_gap": 0.0024000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0012004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.128000Z",
"spacegroup": 71
},
{
"id": "mp-1186891",
"created_at": "2022-09-04T14:40:55.534351Z",
"structure_string": "Rb3 Yb1\n1.0\n-3.742298 3.742298 5.462788\n3.742298 -3.742298 5.462788\n3.742298 3.742298 -5.462788\nRb Yb\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Yb"
],
"chemical_system": "Rb-Yb",
"density": 2.3302577282082293,
"density_atomic": 0.013071003118173274,
"volume": 306.020889432625,
"volume_molar": 46.072521791591605,
"formula_full": "Rb3 Yb1",
"formula_reduced": "Rb3Yb",
"formula_anonymous": "AB3",
"energy": -3.84380468,
"energy_per_atom": -0.96095117,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -3.84380468,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0466168,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.298000Z",
"spacegroup": 139
},
{
"id": "mp-1227938",
"created_at": "2022-09-04T14:39:25.300188Z",
"structure_string": "Ba1 Ca1\n1.0\n3.001579 -3.155770 0.000000\n3.001579 3.155770 0.000000\n0.000000 0.000000 5.586277\nBa Ca\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ca\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Ca"
],
"chemical_system": "Ba-Ca",
"density": 2.7836034712504993,
"density_atomic": 0.018898285763860254,
"volume": 105.82970460869306,
"volume_molar": 31.86606888713852,
"formula_full": "Ba1 Ca1",
"formula_reduced": "BaCa",
"formula_anonymous": "AB",
"energy": -3.8429926,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0010957,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.459000Z",
"spacegroup": 65
},
{
"id": "mp-1226728",
"created_at": "2022-09-04T14:39:48.697126Z",
"structure_string": "Cd1 Ag1\n1.0\n1.492869 -2.743508 0.000000\n1.492869 2.743508 0.000000\n0.000000 0.000000 4.805695\nCd Ag\n1 1\ndirect\n0.335173 0.664827 0.500000 Cd\n0.664827 0.335173 0.000000 Ag\n",
"nsites": 2,
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"elements": [
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"Ag"
],
"chemical_system": "Ag-Cd",
"density": 9.291984086355251,
"density_atomic": 0.05080610073674599,
"volume": 39.36535122746551,
"volume_molar": 11.853184307931805,
"formula_full": "Cd1 Ag1",
"formula_reduced": "CdAg",
"formula_anonymous": "AB",
"energy": -3.84283243,
"energy_per_atom": -1.921416215,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.945000Z",
"spacegroup": 38
},
{
"id": "mp-567597",
"created_at": "2022-09-04T14:39:58.656232Z",
"structure_string": "Bi1\n1.0\n3.277897 0.000000 0.000000\n0.000000 3.277897 0.000000\n0.000000 0.000000 3.277897\nBi\n1\ndirect\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 1,
"nelements": 1,
"elements": [
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],
"chemical_system": "Bi",
"density": 9.853005953205109,
"density_atomic": 0.028393183657330765,
"volume": 35.21972076357181,
"volume_molar": 21.20981159661241,
"formula_full": "Bi1",
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"formula_anonymous": "A",
"energy": -3.84048913,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:42.383000Z",
"spacegroup": 221
},
{
"id": "mp-1096840",
"created_at": "2022-09-04T14:40:04.554466Z",
"structure_string": "Ba2\n1.0\n2.454345 -3.632532 0.000000\n2.454345 3.632532 0.000000\n0.000000 0.000000 7.278134\nBa\n2\ndirect\n0.255870 0.255870 0.250000 Ba\n0.744130 0.744130 0.750000 Ba\n",
"nsites": 2,
"nelements": 1,
"elements": [
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"chemical_system": "Ba",
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"volume": 129.77621450586565,
"volume_molar": 39.07653155271384,
"formula_full": "Ba2",
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"formula_anonymous": "A",
"energy": -3.83779937,
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"energy_above_hull": null,
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"total_magnetization": 3.12e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.030000Z",
"spacegroup": 63
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{
"id": "mp-1186852",
"created_at": "2022-09-04T14:40:27.091772Z",
"structure_string": "Rb3 Mg1\n1.0\n0.000000 5.078816 5.078816\n5.078816 0.000000 5.078816\n5.078816 5.078816 0.000000\nRb Mg\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mg-Rb",
"density": 1.7790455727895775,
"density_atomic": 0.015266608140684175,
"volume": 262.0097380596512,
"volume_molar": 39.44648807714873,
"formula_full": "Rb3 Mg1",
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"energy": -3.83305161,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.565000Z",
"spacegroup": 225
}
]
}