HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=10228",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=10226",
"results": [
{
"id": "mp-1112370",
"created_at": "2022-09-04T14:39:48.249278Z",
"structure_string": "Cs3 Ce1 Cl6\n1.0\n0.000000 6.040120 6.040120\n6.040120 0.000000 6.040120\n6.040120 6.040120 0.000000\nCs Ce Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Ce\n0.772335 0.227665 0.227665 Cl\n0.227665 0.227665 0.772335 Cl\n0.227665 0.772335 0.772335 Cl\n0.227665 0.772335 0.227665 Cl\n0.772335 0.227665 0.772335 Cl\n0.772335 0.772335 0.227665 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Ce",
"Cl"
],
"chemical_system": "Ce-Cl-Cs",
"density": 2.8316559559719456,
"density_atomic": 0.02268993770984978,
"volume": 440.7239952738595,
"volume_molar": 26.541019358487567,
"formula_full": "Cs3 Ce1 Cl6",
"formula_reduced": "Cs3CeCl6",
"formula_anonymous": "AB3C6",
"energy": -44.17340298,
"energy_per_atom": -4.417340298,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.48940298,
"band_gap": 0.3518000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0001428,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.010000Z",
"spacegroup": 225
},
{
"id": "mp-1112369",
"created_at": "2022-09-04T14:48:12.760356Z",
"structure_string": "Cs3 Er1 Cl6\n1.0\n0.000000 5.903709 5.903709\n5.903709 0.000000 5.903709\n5.903709 5.903709 0.000000\nCs Er Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Er\n0.778226 0.221774 0.221774 Cl\n0.221774 0.221774 0.778226 Cl\n0.221774 0.778226 0.778226 Cl\n0.221774 0.778226 0.221774 Cl\n0.778226 0.221774 0.778226 Cl\n0.778226 0.778226 0.221774 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Er",
"Cl"
],
"chemical_system": "Cl-Cs-Er",
"density": 3.1420330093029443,
"density_atomic": 0.024299379110687434,
"volume": 411.5331488285545,
"volume_molar": 24.783105496515844,
"formula_full": "Cs3 Er1 Cl6",
"formula_reduced": "Cs3ErCl6",
"formula_anonymous": "AB3C6",
"energy": -43.22394437,
"energy_per_atom": -4.322394437,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.53994437,
"band_gap": 4.8108,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:38.995000Z",
"spacegroup": 225
},
{
"id": "mp-1112368",
"created_at": "2022-09-04T14:42:57.377944Z",
"structure_string": "Cs3 Ga1 Br6\n1.0\n0.000000 5.973439 5.973439\n5.973439 0.000000 5.973439\n5.973439 5.973439 0.000000\nCs Ga Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Ga\n0.784488 0.215512 0.215512 Br\n0.215512 0.215512 0.784488 Br\n0.215512 0.784488 0.784488 Br\n0.215512 0.784488 0.215512 Br\n0.784488 0.215512 0.784488 Br\n0.784488 0.784488 0.215512 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Ga",
"Br"
],
"chemical_system": "Br-Cs-Ga",
"density": 3.6922537167296587,
"density_atomic": 0.0234583091304784,
"volume": 426.28818404509036,
"volume_molar": 25.671674486443205,
"formula_full": "Cs3 Ga1 Br6",
"formula_reduced": "Cs3GaBr6",
"formula_anonymous": "AB3C6",
"energy": -32.41417828,
"energy_per_atom": -3.2414178280000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.21017828,
"band_gap": 2.3433,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0011462,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.714000Z",
"spacegroup": 225
},
{
"id": "mp-1112367",
"created_at": "2022-09-04T14:47:41.823630Z",
"structure_string": "K2 Hg1 Bi1 F6\n1.0\n0.000000 4.811278 4.811278\n4.811278 0.000000 4.811278\n4.811278 4.811278 0.000000\nK Hg Bi F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.765587 0.234413 0.234413 F\n0.234413 0.234413 0.765587 F\n0.234413 0.765587 0.765587 F\n0.234413 0.765587 0.234413 F\n0.765587 0.234413 0.765587 F\n0.765587 0.765587 0.234413 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Hg",
"Bi",
"F"
],
"chemical_system": "Bi-F-Hg-K",
"density": 4.485999291179702,
"density_atomic": 0.04489403591566106,
"volume": 222.74673675555087,
"volume_molar": 13.414122025725929,
"formula_full": "K2 Hg1 Bi1 F6",
"formula_reduced": "K2HgBiF6",
"formula_anonymous": "ABC2D6",
"energy": -42.26768127,
"energy_per_atom": -4.226768127,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.49568127,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0450226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.524000Z",
"spacegroup": 225
},
{
"id": "mp-1112365",
"created_at": "2022-09-04T14:39:58.907742Z",
"structure_string": "K2 Nb1 Hg1 F6\n1.0\n0.000000 4.934873 4.934873\n4.934873 0.000000 4.934873\n4.934873 4.934873 0.000000\nK Nb Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Hg\n0.203659 0.203659 0.796341 F\n0.203659 0.796341 0.796341 F\n0.796341 0.796341 0.203659 F\n0.203659 0.796341 0.203659 F\n0.796341 0.203659 0.796341 F\n0.796341 0.203659 0.203659 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Nb",
"Hg",
"F"
],
"chemical_system": "F-Hg-K-Nb",
"density": 3.3554009236843716,
"density_atomic": 0.04160466820345937,
"volume": 240.35764330812555,
"volume_molar": 14.474675607434042,
"formula_full": "K2 Nb1 Hg1 F6",
"formula_reduced": "K2NbHgF6",
"formula_anonymous": "ABC2D6",
"energy": -51.50408879,
"energy_per_atom": -5.1504088789999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.73208879,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999124,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.106000Z",
"spacegroup": 225
},
{
"id": "mp-1112364",
"created_at": "2022-09-04T14:43:22.393202Z",
"structure_string": "Cs3 Gd1 Cl6\n1.0\n0.000000 5.960988 5.960988\n5.960988 0.000000 5.960988\n5.960988 5.960988 0.000000\nCs Gd Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Gd\n0.775818 0.224182 0.224182 Cl\n0.224182 0.224182 0.775818 Cl\n0.224182 0.775818 0.775818 Cl\n0.224182 0.775818 0.224182 Cl\n0.775818 0.224182 0.775818 Cl\n0.775818 0.775818 0.224182 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Gd",
"Cl"
],
"chemical_system": "Cl-Cs-Gd",
"density": 3.013092063389386,
"density_atomic": 0.023605611848723545,
"volume": 423.6280789536384,
"volume_molar": 25.511479213472043,
"formula_full": "Cs3 Gd1 Cl6",
"formula_reduced": "Cs3GdCl6",
"formula_anonymous": "AB3C6",
"energy": -52.62824239,
"energy_per_atom": -5.2628242389999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.94424239,
"band_gap": 3.1365,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.0000709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.641000Z",
"spacegroup": 225
},
{
"id": "mp-1112362",
"created_at": "2022-09-04T14:39:30.293227Z",
"structure_string": "Cs3 Pr1 Cl6\n1.0\n0.000000 6.044012 6.044012\n6.044012 0.000000 6.044012\n6.044012 6.044012 0.000000\nCs Pr Cl\n3 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Pr\n0.771797 0.228203 0.228203 Cl\n0.228203 0.771797 0.771797 Cl\n0.228203 0.771797 0.228203 Cl\n0.771797 0.228203 0.771797 Cl\n0.228203 0.228203 0.771797 Cl\n0.771797 0.771797 0.228203 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Pr",
"Cl"
],
"chemical_system": "Cl-Cs-Pr",
"density": 2.829166184636586,
"density_atomic": 0.022646132841338852,
"volume": 441.57649652861414,
"volume_molar": 26.59235818402966,
"formula_full": "Cs3 Pr1 Cl6",
"formula_reduced": "Cs3PrCl6",
"formula_anonymous": "AB3C6",
"energy": -43.11250518,
"energy_per_atom": -4.311250518,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.42850518,
"band_gap": 4.7154,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004844,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.179000Z",
"spacegroup": 225
},
{
"id": "mp-1112360",
"created_at": "2022-09-04T14:45:18.526279Z",
"structure_string": "K2 Ti1 Hg1 F6\n1.0\n0.000000 4.806924 4.806924\n4.806924 0.000000 4.806924\n4.806924 4.806924 0.000000\nK Ti Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Hg\n0.196770 0.196770 0.803230 F\n0.196770 0.803230 0.803230 F\n0.803230 0.803230 0.196770 F\n0.196770 0.803230 0.196770 F\n0.803230 0.196770 0.803230 F\n0.803230 0.196770 0.196770 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ti",
"Hg",
"F"
],
"chemical_system": "F-Hg-K-Ti",
"density": 3.2938605926311126,
"density_atomic": 0.0450161383683578,
"volume": 222.14255514704655,
"volume_molar": 13.377737358815768,
"formula_full": "K2 Ti1 Hg1 F6",
"formula_reduced": "K2TiHgF6",
"formula_anonymous": "ABC2D6",
"energy": -52.36802603999999,
"energy_per_atom": -5.236802603999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.59602604,
"band_gap": 2.1789,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004453,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.266000Z",
"spacegroup": 225
},
{
"id": "mp-1112359",
"created_at": "2022-09-04T14:47:00.562772Z",
"structure_string": "K2 In1 Bi1 F6\n1.0\n0.000000 4.840413 4.840413\n4.840413 0.000000 4.840413\n4.840413 4.840413 0.000000\nK In Bi F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Bi\n0.764902 0.235098 0.235098 F\n0.235098 0.235098 0.764902 F\n0.235098 0.764902 0.764902 F\n0.235098 0.764902 0.235098 F\n0.764902 0.235098 0.764902 F\n0.764902 0.764902 0.235098 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"In",
"Bi",
"F"
],
"chemical_system": "Bi-F-In-K",
"density": 3.777541770168745,
"density_atomic": 0.044088238597648495,
"volume": 226.81786159026464,
"volume_molar": 13.65929089378771,
"formula_full": "K2 In1 Bi1 F6",
"formula_reduced": "K2InBiF6",
"formula_anonymous": "ABC2D6",
"energy": -46.49450377,
"energy_per_atom": -4.649450377,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.72250377,
"band_gap": 2.3638000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020151,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.026000Z",
"spacegroup": 225
},
{
"id": "mp-1112353",
"created_at": "2022-09-04T14:39:06.974235Z",
"structure_string": "Cs3 Sb1 Cl6\n1.0\n0.000000 5.938787 5.938787\n5.938787 0.000000 5.938787\n5.938787 5.938787 0.000000\nCs Sb Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Sb\n0.775409 0.224591 0.224591 Cl\n0.224591 0.224591 0.775409 Cl\n0.224591 0.775409 0.775409 Cl\n0.224591 0.775409 0.224591 Cl\n0.775409 0.224591 0.775409 Cl\n0.775409 0.775409 0.224591 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Sb",
"Cl"
],
"chemical_system": "Cl-Cs-Sb",
"density": 2.90633028369949,
"density_atomic": 0.023871337706667915,
"volume": 418.9124263952216,
"volume_molar": 25.227495978651643,
"formula_full": "Cs3 Sb1 Cl6",
"formula_reduced": "Cs3SbCl6",
"formula_anonymous": "AB3C6",
"energy": -36.95694333,
"energy_per_atom": -3.695694333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.27294333,
"band_gap": 3.4949,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.456000Z",
"spacegroup": 225
},
{
"id": "mp-1112351",
"created_at": "2022-09-04T14:44:44.465566Z",
"structure_string": "Cs3 Sc1 Br6\n1.0\n0.000000 6.077060 6.077060\n6.077060 0.000000 6.077060\n6.077060 6.077060 0.000000\nCs Sc Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Sc\n0.780837 0.219163 0.219163 Br\n0.219163 0.219163 0.780837 Br\n0.219163 0.780837 0.780837 Br\n0.219163 0.780837 0.219163 Br\n0.780837 0.219163 0.780837 Br\n0.780837 0.780837 0.219163 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Sc",
"Br"
],
"chemical_system": "Br-Cs-Sc",
"density": 3.414959237292133,
"density_atomic": 0.02227867877202383,
"volume": 448.8596519717037,
"volume_molar": 27.03096005658211,
"formula_full": "Cs3 Sc1 Br6",
"formula_reduced": "Cs3ScBr6",
"formula_anonymous": "AB3C6",
"energy": -39.79650914,
"energy_per_atom": -3.9796509139999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.59250914,
"band_gap": 3.3137,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.03e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.402000Z",
"spacegroup": 225
},
{
"id": "mp-1112350",
"created_at": "2022-09-04T14:40:59.393598Z",
"structure_string": "Cs3 Sc1 Cl6\n1.0\n0.000000 5.782426 5.782426\n5.782426 0.000000 5.782426\n5.782426 5.782426 0.000000\nCs Sc Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Sc\n0.783504 0.216496 0.216496 Cl\n0.216496 0.216496 0.783504 Cl\n0.216496 0.783504 0.783504 Cl\n0.216496 0.783504 0.216496 Cl\n0.783504 0.216496 0.783504 Cl\n0.783504 0.783504 0.216496 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Sc",
"Cl"
],
"chemical_system": "Cl-Cs-Sc",
"density": 2.8187138149152857,
"density_atomic": 0.025860668868418882,
"volume": 386.687600807264,
"volume_molar": 23.286871622080334,
"formula_full": "Cs3 Sc1 Cl6",
"formula_reduced": "Cs3ScCl6",
"formula_anonymous": "AB3C6",
"energy": -44.33649756,
"energy_per_atom": -4.433649755999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.65249756,
"band_gap": 4.0753,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000278,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.399000Z",
"spacegroup": 225
}
]
}