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=chemical_system&page=10124",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10122",
"results": [
{
"id": "mp-1055956",
"created_at": "2022-09-04T14:47:29.168069Z",
"structure_string": "Mg1\n1.0\n1.527549 -2.645793 0.000000\n1.527549 2.645793 0.000000\n0.000000 0.000000 3.159751\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.5801956208360088,
"density_atomic": 0.03915309796461064,
"volume": 25.540763106507466,
"volume_molar": 15.381007054520284,
"formula_full": "Mg1",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -1.36376991,
"energy_per_atom": -1.36376991,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.36376991,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012598,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.337000Z",
"spacegroup": 191
},
{
"id": "mp-1079919",
"created_at": "2022-09-04T14:41:51.782118Z",
"structure_string": "Mg6 Mn2\n1.0\n4.725154 0.000000 0.000000\n0.000000 4.732950 0.000000\n0.000000 2.076742 8.419888\nMg Mn\n6 2\ndirect\n0.250000 0.942606 0.634077 Mg\n0.750000 0.057394 0.365923 Mg\n0.250000 0.540989 0.381055 Mg\n0.750000 0.459011 0.618945 Mg\n0.250000 0.765425 0.005576 Mg\n0.750000 0.234575 0.994424 Mg\n0.250000 0.362724 0.805249 Mn\n0.750000 0.637276 0.194751 Mn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 2.2549450876875565,
"density_atomic": 0.04248501622724066,
"volume": 188.30168163783208,
"volume_molar": 14.174740402096651,
"formula_full": "Mg6 Mn2",
"formula_reduced": "Mg3Mn",
"formula_anonymous": "AB3",
"energy": -24.77631568,
"energy_per_atom": -3.09703946,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.77631568,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.2483003,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.741000Z",
"spacegroup": 11
},
{
"id": "mp-1023507",
"created_at": "2022-09-04T14:42:16.143231Z",
"structure_string": "Mg15 Mn1\n1.0\n3.168678 -5.488311 0.000000\n3.168678 5.488311 0.000000\n0.000000 0.000000 10.160987\nMg Mn\n15 1\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000240 0.500120 0.000000 Mg\n0.000235 0.500118 0.500000 Mg\n0.499880 0.500120 0.000000 Mg\n0.499882 0.500118 0.500000 Mg\n0.499880 0.999760 0.000000 Mg\n0.499882 0.999765 0.500000 Mg\n0.164067 0.328133 0.754040 Mg\n0.164067 0.328133 0.245960 Mg\n0.164067 0.835933 0.754040 Mg\n0.164067 0.835933 0.245960 Mg\n0.671867 0.835933 0.754040 Mg\n0.671867 0.835933 0.245960 Mg\n0.666667 0.333333 0.749130 Mg\n0.666667 0.333333 0.250870 Mg\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 1.9711145077500316,
"density_atomic": 0.04527279107175677,
"volume": 353.4131565831719,
"volume_molar": 13.301898596123635,
"formula_full": "Mg15 Mn1",
"formula_reduced": "Mg15Mn",
"formula_anonymous": "AB15",
"energy": -32.29525963,
"energy_per_atom": -2.018453726875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.29525963,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.5986581,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.374000Z",
"spacegroup": 187
},
{
"id": "mp-1185893",
"created_at": "2022-09-04T14:44:11.643102Z",
"structure_string": "Mg2 Mn2\n1.0\n3.001903 0.000000 0.000000\n0.000000 4.690851 0.000000\n0.000000 0.000000 4.879203\nMg Mn\n2 2\ndirect\n0.000000 0.250000 0.198513 Mg\n0.000000 0.750000 0.801487 Mg\n0.500000 0.750000 0.315055 Mn\n0.500000 0.250000 0.684945 Mn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 3.830390645242666,
"density_atomic": 0.05821874118898403,
"volume": 68.70639794521816,
"volume_molar": 10.343989988466964,
"formula_full": "Mg2 Mn2",
"formula_reduced": "MgMn",
"formula_anonymous": "AB",
"energy": -20.29537697,
"energy_per_atom": -5.0738442425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.29537697,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.6833657,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.214000Z",
"spacegroup": 51
},
{
"id": "mp-978286",
"created_at": "2022-09-04T14:43:11.138978Z",
"structure_string": "Mg3 Mn1\n1.0\n4.297571 0.000000 0.000000\n0.000000 4.297571 0.000000\n0.000000 0.000000 4.297571\nMg Mn\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 2.674798014447869,
"density_atomic": 0.05039538996709907,
"volume": 79.37233946619767,
"volume_molar": 11.949785017898641,
"formula_full": "Mg3 Mn1",
"formula_reduced": "Mg3Mn",
"formula_anonymous": "AB3",
"energy": -13.24191738,
"energy_per_atom": -3.310479345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.24191738,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.4991702,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.032000Z",
"spacegroup": 221
},
{
"id": "mp-1016282",
"created_at": "2022-09-04T14:42:44.444968Z",
"structure_string": "Mg7 Mn1\n1.0\n3.081603 -5.337493 0.000000\n3.081603 5.337493 0.000000\n0.000000 0.000000 4.906029\nMg Mn\n7 1\ndirect\n0.832498 0.664997 0.500000 Mg\n0.335003 0.167502 0.500000 Mg\n0.832498 0.167502 0.500000 Mg\n0.489795 0.510205 0.000000 Mg\n0.020411 0.510205 0.000000 Mg\n0.489795 0.979589 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.500000 Mn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 2.315786247910669,
"density_atomic": 0.049569652411499535,
"volume": 161.38906792382713,
"volume_molar": 12.148846052031098,
"formula_full": "Mg7 Mn1",
"formula_reduced": "Mg7Mn",
"formula_anonymous": "AB7",
"energy": -19.44681872,
"energy_per_atom": -2.43085234,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.44681872,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.5332855,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.081000Z",
"spacegroup": 187
},
{
"id": "mp-978285",
"created_at": "2022-09-04T14:43:14.257719Z",
"structure_string": "Mg3 Mn1\n1.0\n0.000000 3.402089 3.402089\n3.402089 0.000000 3.402089\n3.402089 3.402089 0.000000\nMg Mn\n3 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 2.6958341181876,
"density_atomic": 0.050791727427208534,
"volume": 78.75298208222087,
"volume_molar": 11.8565385842223,
"formula_full": "Mg3 Mn1",
"formula_reduced": "Mg3Mn",
"formula_anonymous": "AB3",
"energy": -13.27026263,
"energy_per_atom": -3.3175656575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.27026263,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.6139868,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.810000Z",
"spacegroup": 225
},
{
"id": "mp-1185627",
"created_at": "2022-09-04T14:42:17.336873Z",
"structure_string": "Mg149 Mn1\n1.0\n13.758122 -7.943258 0.000000\n0.000000 15.886518 -0.000000\n0.000000 0.000000 15.621069\nMg Mn\n149 1\ndirect\n0.601964 0.000111 -0.000000 Mg\n0.398147 0.000111 -0.000000 Mg\n0.808258 0.000772 -0.000000 Mg\n0.192514 0.000772 -0.000000 Mg\n0.999229 0.191742 -0.000000 Mg\n0.192514 0.191743 -0.000000 Mg\n0.599853 0.199706 -0.000000 Mg\n0.398933 0.199466 -0.000000 Mg\n0.800534 0.199466 -0.000000 Mg\n0.398147 0.398036 -0.000000 Mg\n0.999889 0.398037 -0.000000 Mg\n0.199163 0.398325 -0.000000 Mg\n0.599853 0.400146 -0.000000 Mg\n0.800294 0.400146 -0.000000 Mg\n0.399999 0.600001 -0.000000 Mg\n0.200002 0.600002 -0.000000 Mg\n0.800534 0.601067 -0.000000 Mg\n0.999889 0.601852 -0.000000 Mg\n0.601964 0.601853 -0.000000 Mg\n0.399999 0.799998 -0.000000 Mg\n0.199163 0.800837 -0.000000 Mg\n0.601675 0.800837 -0.000000 Mg\n0.808258 0.807486 -0.000000 Mg\n0.999229 0.807486 -0.000000 Mg\n0.064024 0.128048 0.157760 Mg\n0.064024 0.935975 0.157760 Mg\n0.871952 0.935976 0.157760 Mg\n0.265833 0.332593 0.165998 Mg\n0.066761 0.332594 0.165998 Mg\n0.667406 0.734167 0.165998 Mg\n0.066761 0.734167 0.165998 Mg\n0.265833 0.933239 0.165998 Mg\n0.667406 0.933240 0.165998 Mg\n0.466684 0.533316 0.166444 Mg\n0.066632 0.533316 0.166444 Mg\n0.466684 0.933368 0.166444 Mg\n0.666667 0.333333 0.166074 Mg\n0.266712 0.533424 0.166232 Mg\n0.466576 0.733288 0.166232 Mg\n0.266712 0.733288 0.166232 Mg\n0.466911 0.133580 0.166527 Mg\n0.666669 0.133580 0.166527 Mg\n0.466911 0.333331 0.166527 Mg\n0.866420 0.333331 0.166527 Mg\n0.866420 0.533089 0.166527 Mg\n0.666669 0.533089 0.166527 Mg\n0.267993 0.133996 0.166145 Mg\n0.866004 0.133996 0.166145 Mg\n0.866004 0.732007 0.166145 Mg\n0.199276 0.199501 0.331722 Mg\n0.000225 0.199501 0.331722 Mg\n0.000225 0.800724 0.331722 Mg\n0.800499 0.800724 0.331722 Mg\n0.199276 0.999775 0.331722 Mg\n0.800499 0.999776 0.331722 Mg\n-0.000000 0.000000 0.332950 Mg\n0.000200 0.399453 0.332743 Mg\n0.399254 0.399453 0.332743 Mg\n0.000200 0.600747 0.332743 Mg\n0.600547 0.600747 0.332743 Mg\n0.600547 0.999800 0.332743 Mg\n0.399254 0.999800 0.332743 Mg\n0.599709 0.199418 0.333055 Mg\n0.599709 0.400291 0.333055 Mg\n0.800582 0.400291 0.333055 Mg\n0.200122 0.400244 0.333333 Mg\n0.599756 0.799878 0.333333 Mg\n0.200122 0.799878 0.333333 Mg\n0.800153 0.199846 0.333276 Mg\n0.399694 0.199846 0.333276 Mg\n0.800153 0.600306 0.333276 Mg\n0.399985 0.600015 0.333001 Mg\n0.200030 0.600015 0.333001 Mg\n0.399985 0.799970 0.333001 Mg\n0.066617 0.133235 0.500000 Mg\n0.266681 0.133341 0.500000 Mg\n0.866659 0.133341 0.500000 Mg\n0.666877 0.133833 0.500000 Mg\n0.466957 0.133834 0.500000 Mg\n0.066309 0.332957 0.500000 Mg\n0.266648 0.332958 0.500000 Mg\n0.466957 0.333122 0.500000 Mg\n0.866166 0.333122 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266359 0.532717 0.500000 Mg\n0.467487 0.532513 0.500000 Mg\n0.065026 0.532513 0.500000 Mg\n0.666877 0.533042 0.500000 Mg\n0.866166 0.533043 0.500000 Mg\n0.467284 0.733641 0.500000 Mg\n0.266359 0.733642 0.500000 Mg\n0.066309 0.733352 0.500000 Mg\n0.667042 0.733352 0.500000 Mg\n0.866659 0.733319 0.500000 Mg\n0.866765 0.933382 0.500000 Mg\n0.066617 0.933383 0.500000 Mg\n0.667042 0.933690 0.500000 Mg\n0.266648 0.933690 0.500000 Mg\n0.467487 0.934974 0.500000 Mg\n0.399985 0.600015 0.667000 Mg\n0.200030 0.600015 0.667000 Mg\n0.399985 0.799970 0.667000 Mg\n0.800153 0.199846 0.666724 Mg\n0.399694 0.199846 0.666724 Mg\n0.800153 0.600306 0.666724 Mg\n0.200122 0.400244 0.666667 Mg\n0.599756 0.799878 0.666667 Mg\n0.200122 0.799878 0.666667 Mg\n0.599709 0.199418 0.666945 Mg\n0.599709 0.400291 0.666945 Mg\n0.800582 0.400291 0.666945 Mg\n0.000200 0.399453 0.667257 Mg\n0.399254 0.399453 0.667257 Mg\n0.000200 0.600747 0.667257 Mg\n0.600547 0.600747 0.667257 Mg\n0.600547 0.999800 0.667257 Mg\n0.399254 0.999800 0.667257 Mg\n-0.000000 0.000000 0.667050 Mg\n0.199276 0.199501 0.668279 Mg\n0.000225 0.199501 0.668279 Mg\n0.000225 0.800724 0.668279 Mg\n0.800499 0.800724 0.668279 Mg\n0.199276 0.999775 0.668279 Mg\n0.800499 0.999776 0.668279 Mg\n0.267993 0.133996 0.833855 Mg\n0.866004 0.133996 0.833855 Mg\n0.866004 0.732007 0.833855 Mg\n0.466911 0.133580 0.833473 Mg\n0.666669 0.133580 0.833473 Mg\n0.466911 0.333331 0.833473 Mg\n0.866420 0.333331 0.833473 Mg\n0.866420 0.533089 0.833473 Mg\n0.666669 0.533089 0.833473 Mg\n0.266712 0.533424 0.833768 Mg\n0.466576 0.733288 0.833768 Mg\n0.266712 0.733288 0.833768 Mg\n0.666667 0.333333 0.833926 Mg\n0.466684 0.533316 0.833556 Mg\n0.066632 0.533316 0.833556 Mg\n0.466684 0.933368 0.833556 Mg\n0.265833 0.332593 0.834002 Mg\n0.066761 0.332594 0.834002 Mg\n0.667406 0.734167 0.834002 Mg\n0.066761 0.734167 0.834002 Mg\n0.265833 0.933239 0.834002 Mg\n0.667406 0.933240 0.834002 Mg\n0.064024 0.128048 0.842241 Mg\n0.064024 0.935975 0.842241 Mg\n0.871952 0.935976 0.842241 Mg\n-0.000000 0.000000 -0.000000 Mn\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 1.7880152800135996,
"density_atomic": 0.043933179306376344,
"volume": 3414.276006613284,
"volume_molar": 13.707500470210592,
"formula_full": "Mg149 Mn1",
"formula_reduced": "Mg149Mn",
"formula_anonymous": "AB149",
"energy": -249.37907755,
"energy_per_atom": -1.6625271836666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -249.37907755,
"band_gap": 0.1001999999999996,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.00052,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.694000Z",
"spacegroup": 187
},
{
"id": "mp-1212684",
"created_at": "2022-09-04T14:42:54.986120Z",
"structure_string": "Mg20 Mn16\n1.0\n0.000000 0.000000 2.863526\n9.868215 0.000000 0.000000\n0.000000 23.334880 0.000000\nMg Mn\n20 16\ndirect\n0.500000 0.393962 0.368453 Mg\n0.500000 0.606038 0.631547 Mg\n0.500000 0.106038 0.868453 Mg\n0.500000 0.893962 0.131547 Mg\n0.000000 0.375253 0.245943 Mg\n0.000000 0.624747 0.754057 Mg\n0.000000 0.124747 0.745943 Mg\n0.000000 0.875253 0.254057 Mg\n0.000000 0.115022 0.400463 Mg\n0.000000 0.884978 0.599537 Mg\n0.000000 0.384978 0.900463 Mg\n0.000000 0.615022 0.099537 Mg\n0.500000 0.231814 0.001389 Mg\n0.500000 0.768186 0.998611 Mg\n0.500000 0.268186 0.501389 Mg\n0.500000 0.731814 0.498611 Mg\n0.500000 0.343170 0.127274 Mg\n0.500000 0.656830 0.872726 Mg\n0.500000 0.156830 0.627274 Mg\n0.500000 0.843170 0.372726 Mg\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.120189 0.196677 Mn\n0.000000 0.879811 0.803323 Mn\n0.000000 0.379811 0.696677 Mn\n0.000000 0.620189 0.303323 Mn\n0.000000 0.383877 0.589402 Mn\n0.000000 0.616123 0.410598 Mn\n0.000000 0.116123 0.089402 Mn\n0.000000 0.883877 0.910598 Mn\n0.500000 0.127352 0.291980 Mn\n0.500000 0.872648 0.708020 Mn\n0.500000 0.372648 0.791980 Mn\n0.500000 0.627352 0.208020 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 3.437724210828824,
"density_atomic": 0.05459554368370858,
"volume": 659.3944774789828,
"volume_molar": 11.030462110403013,
"formula_full": "Mg20 Mn16",
"formula_reduced": "Mg5Mn4",
"formula_anonymous": "A4B5",
"energy": -164.6729646,
"energy_per_atom": -4.574249016666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -164.6729646,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 52.0089688,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.916000Z",
"spacegroup": 55
},
{
"id": "mp-1212508",
"created_at": "2022-09-04T14:40:35.697691Z",
"structure_string": "Mg10 Mn6\n1.0\n4.407701 -0.017740 -1.564757\n0.014943 6.027909 -0.034775\n-0.862311 0.030822 11.587804\nMg Mn\n10 6\ndirect\n0.545026 0.246326 0.877950 Mg\n0.036442 0.277448 0.371590 Mg\n0.295992 0.492635 0.623454 Mg\n0.300468 0.997344 0.630192 Mg\n0.892231 0.727634 0.719715 Mg\n0.773473 0.517233 0.113825 Mg\n0.373819 0.744538 0.214079 Mg\n0.126082 0.981397 0.958583 Mg\n0.359939 0.239337 0.198928 Mg\n0.626619 0.010471 0.460070 Mg\n0.882165 0.257702 0.711581 Mn\n0.550284 0.741977 0.881604 Mn\n0.030224 0.774890 0.367112 Mn\n0.785272 0.983273 0.123410 Mn\n0.116149 0.490852 0.951154 Mn\n0.637814 0.516944 0.468753 Mn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 3.172471772759093,
"density_atomic": 0.05337746537310533,
"volume": 299.7519625212802,
"volume_molar": 11.282178196183711,
"formula_full": "Mg10 Mn6",
"formula_reduced": "Mg5Mn3",
"formula_anonymous": "A3B5",
"energy": -66.67413685,
"energy_per_atom": -4.167133553125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.67413685,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.476413,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.867000Z",
"spacegroup": 1
},
{
"id": "mp-1237317",
"created_at": "2022-09-04T14:41:14.040986Z",
"structure_string": "Mg10 Mn6\n1.0\n4.627913 0.078070 -1.361046\n0.122081 5.929157 0.068973\n-1.831378 0.139695 11.543150\nMg Mn\n10 6\ndirect\n0.537705 0.268413 0.875389 Mg\n0.031718 0.266663 0.368285 Mg\n0.296602 0.503743 0.614441 Mg\n0.304538 0.005473 0.630661 Mg\n0.906708 0.712474 0.723117 Mg\n0.759974 0.537246 0.111019 Mg\n0.369735 0.746121 0.219393 Mg\n0.128580 0.982202 0.958474 Mg\n0.362132 0.244373 0.203429 Mg\n0.634903 0.983096 0.465762 Mg\n0.886139 0.238696 0.712737 Mn\n0.551468 0.763408 0.875440 Mn\n0.028743 0.764621 0.366679 Mn\n0.780043 0.011068 0.121146 Mn\n0.115419 0.487256 0.958817 Mn\n0.637595 0.485147 0.467209 Mn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 3.1512245801827663,
"density_atomic": 0.05301997715342853,
"volume": 301.77304591624784,
"volume_molar": 11.358248500509923,
"formula_full": "Mg10 Mn6",
"formula_reduced": "Mg5Mn3",
"formula_anonymous": "A3B5",
"energy": -66.76500884,
"energy_per_atom": -4.1728130525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.76500884,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.5629042,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.613000Z",
"spacegroup": 2
},
{
"id": "mp-1016241",
"created_at": "2022-09-04T14:44:40.820796Z",
"structure_string": "Mg3 Mn1\n1.0\n3.095143 0.000000 0.000000\n0.000000 4.900468 0.000000\n0.000000 0.000000 5.301453\nMg Mn\n3 1\ndirect\n0.500000 0.000000 0.666154 Mg\n0.500000 0.500000 0.323852 Mg\n0.000000 0.500000 0.842277 Mg\n0.000000 0.000000 0.167716 Mn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 2.6402617333969762,
"density_atomic": 0.04974469808600302,
"volume": 80.41057949702393,
"volume_molar": 12.106095708106205,
"formula_full": "Mg3 Mn1",
"formula_reduced": "Mg3Mn",
"formula_anonymous": "AB3",
"energy": -13.18652851,
"energy_per_atom": -3.2966321275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.18652851,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7722979,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.114000Z",
"spacegroup": 25
}
]
}