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{
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"results": [
{
"id": "mp-1215332",
"created_at": "2022-09-04T14:40:41.639556Z",
"structure_string": "Zr1 Mn6 Ga2 Sn4\n1.0\n2.655938 -4.600219 0.000000\n2.655938 4.600219 0.000000\n0.000000 0.000000 8.986792\nZr Mn Ga Sn\n1 6 2 4\ndirect\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.748837 Mn\n0.500000 0.000000 0.748837 Mn\n0.000000 0.500000 0.748837 Mn\n0.500000 0.500000 0.251163 Mn\n0.500000 0.000000 0.251163 Mn\n0.000000 0.500000 0.251163 Mn\n0.000000 0.000000 0.811057 Ga\n0.000000 0.000000 0.188943 Ga\n0.666667 0.333333 0.000000 Sn\n0.333333 0.666667 0.000000 Sn\n0.666667 0.333333 0.500000 Sn\n0.333333 0.666667 0.500000 Sn\n",
"nsites": 13,
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"elements": [
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],
"chemical_system": "Ga-Mn-Sn-Zr",
"density": 7.827378532834505,
"density_atomic": 0.05919870774333156,
"volume": 219.59938815496164,
"volume_molar": 10.172757125223507,
"formula_full": "Zr1 Mn6 Ga2 Sn4",
"formula_reduced": "ZrMn6(GaSn2)2",
"formula_anonymous": "AB2C4D6",
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"updated_at": "2021-11-28T01:35:10.162000Z",
"spacegroup": 191
},
{
"id": "mp-1215391",
"created_at": "2022-09-04T14:39:09.914507Z",
"structure_string": "Zr1 Mn6 Ga2 Sn4\n1.0\n-2.679785 -4.641523 0.000000\n-5.359750 0.000105 0.000000\n0.000000 0.000000 -8.781270\nZr Mn Ga Sn\n1 6 2 4\ndirect\n0.999995 0.000000 0.500000 Zr\n0.499974 0.000000 0.244849 Mn\n0.000001 0.500043 0.244760 Mn\n0.500044 0.499957 0.244760 Mn\n0.499974 0.000000 0.755151 Mn\n0.000001 0.500043 0.755240 Mn\n0.500044 0.499957 0.755240 Mn\n0.666579 0.666717 0.000000 Ga\n0.333296 0.333283 0.000000 Ga\n0.999936 0.000000 0.164555 Sn\n0.999936 0.000000 0.835445 Sn\n0.666741 0.666536 0.500000 Sn\n0.333276 0.333464 0.500000 Sn\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zr",
"Mn",
"Ga",
"Sn"
],
"chemical_system": "Ga-Mn-Sn-Zr",
"density": 7.868286770742555,
"density_atomic": 0.05950809802132241,
"volume": 218.45766260823788,
"volume_molar": 10.119867648672285,
"formula_full": "Zr1 Mn6 Ga2 Sn4",
"formula_reduced": "ZrMn6(GaSn2)2",
"formula_anonymous": "AB2C4D6",
"energy": -87.10698513,
"energy_per_atom": -6.700537317692308,
"energy_above_hull": null,
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"energy_uncorrected": -87.10698513,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.925000Z",
"spacegroup": 191
},
{
"id": "mp-1215316",
"created_at": "2022-09-04T14:40:27.965717Z",
"structure_string": "Zr1 Mn6 Ga1 Sn5\n1.0\n-2.677110 -4.634395 0.000000\n-5.354201 -0.000012 0.000000\n0.000000 0.000000 -8.905921\nZr Mn Ga Sn\n1 6 1 5\ndirect\n0.999985 0.000009 0.500000 Zr\n0.496898 0.006190 0.257674 Mn\n0.006220 0.496908 0.257656 Mn\n0.496869 0.496913 0.257662 Mn\n0.496898 0.006190 0.742326 Mn\n0.006220 0.496908 0.742344 Mn\n0.496869 0.496913 0.742338 Mn\n0.333181 0.333442 0.500000 Ga\n0.999988 0.000001 0.172677 Sn\n0.999988 0.000001 0.827323 Sn\n0.666665 0.666666 0.000000 Sn\n0.333285 0.333347 0.000000 Sn\n0.666733 0.666512 0.500000 Sn\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zr",
"Mn",
"Ga",
"Sn"
],
"chemical_system": "Ga-Mn-Sn-Zr",
"density": 8.146340732332419,
"density_atomic": 0.05882708901506844,
"volume": 220.98662737960868,
"volume_molar": 10.237019816597488,
"formula_full": "Zr1 Mn6 Ga1 Sn5",
"formula_reduced": "ZrMn6GaSn5",
"formula_anonymous": "ABC5D6",
"energy": -88.35961185,
"energy_per_atom": -6.7968932192307685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -88.35961185,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.6610813,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.964000Z",
"spacegroup": 187
},
{
"id": "mp-1215277",
"created_at": "2022-09-04T14:43:10.980114Z",
"structure_string": "Zr4 Mn4 Al4\n1.0\n-2.520524 -4.485758 0.000000\n-2.624286 4.545669 0.000000\n0.000000 0.000000 -8.454265\nZr Mn Al\n4 4 4\ndirect\n0.667998 0.334006 0.556838 Zr\n0.336603 0.668301 0.428899 Zr\n0.336603 0.668301 0.071101 Zr\n0.667998 0.334006 0.943162 Zr\n0.664445 0.832214 0.750000 Mn\n0.822979 0.650583 0.250000 Mn\n0.822983 0.172373 0.250000 Mn\n0.347767 0.173903 0.250000 Mn\n0.992326 0.996166 0.491094 Al\n0.992326 0.996166 0.008906 Al\n0.173984 0.343015 0.750000 Al\n0.173987 0.830966 0.750000 Al\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Mn",
"Al"
],
"chemical_system": "Al-Mn-Zr",
"density": 5.8560128445209365,
"density_atomic": 0.06110373758186467,
"volume": 196.38733201750244,
"volume_molar": 9.855601307418787,
"formula_full": "Zr4 Mn4 Al4",
"formula_reduced": "ZrMnAl",
"formula_anonymous": "ABC",
"energy": -90.08454181,
"energy_per_atom": -7.507045150833334,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -90.08454181,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.359000Z",
"spacegroup": 38
},
{
"id": "mp-1215711",
"created_at": "2022-09-04T14:46:14.936803Z",
"structure_string": "Zr1 Mn6 Al6\n1.0\n0.000000 0.000000 5.052607\n-4.272679 4.190921 2.526303\n-4.272679 -4.190921 -2.526303\nZr Mn Al\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.759985 0.759985 Mn\n0.500000 0.240015 0.240015 Mn\n0.656167 0.343833 0.656167 Al\n0.343833 0.656167 0.343833 Al\n0.000000 0.338205 0.338205 Al\n0.000000 0.661795 0.661795 Al\n0.688254 0.811746 0.188254 Al\n0.311746 0.188254 0.811746 Al\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"Al"
],
"chemical_system": "Al-Mn-Zr",
"density": 5.347733921041185,
"density_atomic": 0.07184360174265278,
"volume": 180.94861177153427,
"volume_molar": 8.382292387805942,
"formula_full": "Zr1 Mn6 Al6",
"formula_reduced": "Zr(MnAl)6",
"formula_anonymous": "AB6C6",
"energy": -89.49905047,
"energy_per_atom": -6.884542343846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -89.49905047,
"band_gap": 0.0,
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"total_magnetization": 7.6279666,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.384000Z",
"spacegroup": 71
},
{
"id": "mp-1215296",
"created_at": "2022-09-04T14:47:23.472354Z",
"structure_string": "Zr4 Mn4 Cr4\n1.0\n2.510875 -4.377134 0.000000\n2.510875 4.377134 0.000000\n0.000000 0.000000 8.103221\nZr Mn Cr\n4 4 4\ndirect\n0.333508 0.666492 0.190462 Zr\n0.666923 0.333077 0.313982 Zr\n0.666923 0.333077 0.686018 Zr\n0.333508 0.666492 0.809538 Zr\n0.833015 0.166985 0.000000 Mn\n0.171318 0.340380 0.500000 Mn\n0.659620 0.828682 0.500000 Mn\n0.170219 0.829781 0.500000 Mn\n0.999226 0.000774 0.259540 Cr\n0.999226 0.000774 0.740460 Cr\n0.833593 0.665028 0.000000 Cr\n0.334972 0.166407 0.000000 Cr\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"Cr"
],
"chemical_system": "Cr-Mn-Zr",
"density": 7.389556989710073,
"density_atomic": 0.0673718746632209,
"volume": 178.11586897330233,
"volume_molar": 8.938656954557862,
"formula_full": "Zr4 Mn4 Cr4",
"formula_reduced": "ZrMnCr",
"formula_anonymous": "ABC",
"energy": -110.70439314,
"energy_per_atom": -9.225366095,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -110.70439314,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.328000Z",
"spacegroup": 38
},
{
"id": "mp-1215300",
"created_at": "2022-09-04T14:44:28.487961Z",
"structure_string": "Zr1 Mn1 Cu2 S4\n1.0\n-2.369168 -4.099569 -0.000683\n1.351258 -3.513781 -5.325483\n5.381274 -3.103138 0.190620\nZr Mn Cu S\n1 1 2 4\ndirect\n0.477987 0.043817 0.817488 Zr\n0.258774 0.482619 0.231815 Mn\n0.085706 0.828064 0.705738 Cu\n0.674844 0.655037 0.409697 Cu\n0.720247 0.558847 0.101145 S\n0.243567 0.510306 0.612767 S\n0.490954 0.017156 0.444217 S\n0.001121 0.997654 0.963733 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zr",
"Mn",
"Cu",
"S"
],
"chemical_system": "Cu-Mn-S-Zr",
"density": 4.186162590918709,
"density_atomic": 0.050229197587288756,
"volume": 159.26991439784655,
"volume_molar": 11.989323041712282,
"formula_full": "Zr1 Mn1 Cu2 S4",
"formula_reduced": "ZrMn(CuS2)2",
"formula_anonymous": "ABC2D4",
"energy": -49.49895474,
"energy_per_atom": -6.1873693425,
"energy_above_hull": null,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.732000Z",
"spacegroup": 8
},
{
"id": "mp-1215404",
"created_at": "2022-09-04T14:40:33.340731Z",
"structure_string": "Zr1 Mn1 Cu2 Se4\n1.0\n2.336608 6.433336 0.000000\n-2.336608 6.433336 0.000000\n0.000000 2.846628 5.969998\nZr Mn Cu Se\n1 1 2 4\ndirect\n0.469943 0.469943 0.202284 Zr\n0.272607 0.272607 0.755451 Mn\n0.105706 0.105706 0.228169 Cu\n0.681040 0.681040 0.601890 Cu\n0.712544 0.712544 0.937360 Se\n0.239883 0.239883 0.398530 Se\n0.493466 0.493466 0.561374 Se\n0.992738 0.992738 0.012442 Se\n",
"nsites": 8,
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"Mn",
"Cu",
"Se"
],
"chemical_system": "Cu-Mn-Se-Zr",
"density": 5.450137450456993,
"density_atomic": 0.04457216320948136,
"volume": 179.48422118086128,
"volume_molar": 13.510990551876501,
"formula_full": "Zr1 Mn1 Cu2 Se4",
"formula_reduced": "ZrMn(CuSe2)2",
"formula_anonymous": "ABC2D4",
"energy": -45.68931353,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.174000Z",
"spacegroup": 8
},
{
"id": "mp-1206098",
"created_at": "2022-09-04T14:41:57.031207Z",
"structure_string": "Zr1 Mn1 F6\n1.0\n0.000000 4.183366 4.183366\n4.183366 0.000000 4.183366\n4.183366 4.183366 0.000000\nZr Mn F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Mn\n0.744227 0.255773 0.255773 F\n0.255773 0.744227 0.744227 F\n0.255773 0.744227 0.255773 F\n0.744227 0.255773 0.744227 F\n0.255773 0.255773 0.744227 F\n0.744227 0.744227 0.255773 F\n",
"nsites": 8,
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"elements": [
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"Mn",
"F"
],
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"density": 2.950322277498775,
"density_atomic": 0.05463644129833735,
"volume": 146.42242082196978,
"volume_molar": 11.02220535762321,
"formula_full": "Zr1 Mn1 F6",
"formula_reduced": "ZrMnF6",
"formula_anonymous": "ABC6",
"energy": -58.48728288,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:35.281000Z",
"spacegroup": 225
},
{
"id": "mp-1215286",
"created_at": "2022-09-04T14:45:18.874089Z",
"structure_string": "Zr4 Mn4 Fe4\n1.0\n-2.495280 -4.296018 0.000000\n-4.969048 -0.012416 0.000000\n0.000000 0.000000 -8.164464\nZr Mn Fe\n4 4 4\ndirect\n0.333226 0.333149 0.563993 Zr\n0.666416 0.666392 0.437227 Zr\n0.666416 0.666392 0.062773 Zr\n0.333226 0.333149 0.936007 Zr\n0.833936 0.833902 0.750000 Mn\n0.169383 0.661381 0.250000 Mn\n0.661304 0.169427 0.250000 Mn\n0.169268 0.169262 0.250000 Mn\n0.000076 0.000160 0.495820 Fe\n0.000076 0.000160 0.004180 Fe\n0.833765 0.332887 0.750000 Fe\n0.332908 0.833740 0.750000 Fe\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"Fe"
],
"chemical_system": "Fe-Mn-Zr",
"density": 7.709734060227164,
"density_atomic": 0.06895170970235104,
"volume": 174.034843396941,
"volume_molar": 8.733852700674461,
"formula_full": "Zr4 Mn4 Fe4",
"formula_reduced": "ZrMnFe",
"formula_anonymous": "ABC",
"energy": -107.36034185,
"energy_per_atom": -8.946695154166667,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -107.36034185,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 8.8515813,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.433000Z",
"spacegroup": 38
},
{
"id": "mp-1215321",
"created_at": "2022-09-04T14:46:27.506545Z",
"structure_string": "Zr4 Mn4 Fe4\n1.0\n2.473143 -4.326735 0.000000\n2.473143 4.326735 0.000000\n0.000000 0.000000 8.058108\nZr Mn Fe\n4 4 4\ndirect\n0.333414 0.666586 0.315293 Zr\n0.666468 0.333532 0.188338 Zr\n0.666468 0.333532 0.811662 Zr\n0.333414 0.666586 0.684707 Zr\n0.663316 0.829453 0.000000 Mn\n0.170547 0.336684 0.000000 Mn\n0.999206 0.000794 0.254362 Mn\n0.999206 0.000794 0.745638 Mn\n0.830962 0.169038 0.500000 Fe\n0.340227 0.169848 0.500000 Fe\n0.830152 0.659773 0.500000 Fe\n0.168368 0.831632 0.000000 Fe\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Mn",
"Fe"
],
"chemical_system": "Fe-Mn-Zr",
"density": 7.780419252743843,
"density_atomic": 0.06958387999987245,
"volume": 172.4537349745659,
"volume_molar": 8.65450555503809,
"formula_full": "Zr4 Mn4 Fe4",
"formula_reduced": "ZrMnFe",
"formula_anonymous": "ABC",
"energy": -107.01118677,
"energy_per_atom": -8.9175988975,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:38.435000Z",
"spacegroup": 38
},
{
"id": "mp-1216045",
"created_at": "2022-09-04T14:39:14.729185Z",
"structure_string": "Zr4 Mn4 Ga4\n1.0\n2.569793 -4.394457 0.000000\n2.569793 4.394457 0.000000\n0.000000 0.000000 8.460991\nZr Mn Ga\n4 4 4\ndirect\n0.334587 0.665413 0.192175 Zr\n0.670411 0.329589 0.323783 Zr\n0.670411 0.329589 0.676217 Zr\n0.334587 0.665413 0.807825 Zr\n0.835264 0.164736 0.000000 Mn\n0.185108 0.375070 0.500000 Mn\n0.624930 0.814892 0.500000 Mn\n0.175312 0.824688 0.500000 Mn\n0.994551 0.005449 0.267334 Ga\n0.994551 0.005449 0.732666 Ga\n0.832989 0.654158 0.000000 Ga\n0.345842 0.167011 0.000000 Ga\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Mn",
"Ga"
],
"chemical_system": "Ga-Mn-Zr",
"density": 7.503727558685975,
"density_atomic": 0.06279523011709442,
"volume": 191.09731706729266,
"volume_molar": 9.590124518646556,
"formula_full": "Zr4 Mn4 Ga4",
"formula_reduced": "ZrMnGa",
"formula_anonymous": "ABC",
"energy": -87.23961086,
"energy_per_atom": -7.269967571666666,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.940000Z",
"spacegroup": 38
}
]
}