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=elements&page=13",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=11",
"results": [
{
"id": "mp-680372",
"created_at": "2022-09-04T14:41:17.125517Z",
"structure_string": "C60\n1.0\n8.650536 -4.602332 0.000000\n8.650536 4.602332 0.000000\n6.201965 0.000000 7.586097\nC\n60\ndirect\n0.027412 0.874754 0.716891 C\n0.249245 0.249245 0.572032 C\n0.716891 0.027412 0.874754 C\n0.916965 0.471829 0.645118 C\n0.027412 0.716891 0.874754 C\n0.083035 0.528171 0.354882 C\n0.572032 0.249245 0.249245 C\n0.645118 0.916965 0.471829 C\n0.631259 0.888942 0.196324 C\n0.249245 0.572032 0.249245 C\n0.888942 0.196324 0.631259 C\n0.945185 0.791196 0.455044 C\n0.736983 0.736983 0.305958 C\n0.736983 0.305958 0.736983 C\n0.471829 0.645118 0.916965 C\n0.528171 0.083035 0.354882 C\n0.283109 0.972588 0.125246 C\n0.054815 0.544956 0.208804 C\n0.054815 0.208804 0.544956 C\n0.125246 0.972588 0.283109 C\n0.083035 0.354882 0.528171 C\n0.455044 0.945185 0.791196 C\n0.945185 0.455044 0.791196 C\n0.305958 0.736983 0.736983 C\n0.916965 0.645118 0.471829 C\n0.972588 0.125246 0.283109 C\n0.196324 0.631259 0.888942 C\n0.125246 0.283109 0.972588 C\n0.631259 0.196324 0.888942 C\n0.263017 0.694042 0.263017 C\n0.427968 0.750755 0.750755 C\n0.874754 0.027412 0.716891 C\n0.471829 0.916965 0.645118 C\n0.354882 0.528171 0.083035 C\n0.208804 0.054815 0.544956 C\n0.750755 0.427968 0.750755 C\n0.750755 0.750755 0.427968 C\n0.791196 0.455044 0.945185 C\n0.716891 0.874754 0.027412 C\n0.694042 0.263017 0.263017 C\n0.544956 0.054815 0.208804 C\n0.791196 0.945185 0.455044 C\n0.528171 0.354882 0.083035 C\n0.263017 0.263017 0.694042 C\n0.645118 0.471829 0.916965 C\n0.111058 0.803676 0.368741 C\n0.354882 0.083035 0.528171 C\n0.196324 0.888942 0.631259 C\n0.972588 0.283109 0.125246 C\n0.544956 0.208804 0.054815 C\n0.803676 0.111058 0.368741 C\n0.888942 0.631259 0.196324 C\n0.111058 0.368741 0.803676 C\n0.283109 0.125246 0.972588 C\n0.368741 0.803676 0.111058 C\n0.455044 0.791196 0.945185 C\n0.874754 0.716891 0.027412 C\n0.208804 0.544956 0.054815 C\n0.368741 0.111058 0.803676 C\n0.803676 0.368741 0.111058 C\n",
"nsites": 60,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.9810677035606912,
"density_atomic": 0.09933033520157261,
"volume": 604.0450772489698,
"volume_molar": 6.06274080096395,
"formula_full": "C60",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -529.17093066,
"energy_per_atom": -8.819515510999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -529.17093066,
"band_gap": 0.7132000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002577,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.689000Z",
"spacegroup": 166
},
{
"id": "mp-569304",
"created_at": "2022-09-04T14:40:10.368745Z",
"structure_string": "C4\n1.0\n11.875771 -1.234686 0.000000\n11.875771 1.234686 0.000000\n11.747405 0.000000 2.134682\nC\n4\ndirect\n0.949244 0.949244 0.949244 C\n0.282535 0.282535 0.282535 C\n0.717465 0.717465 0.717465 C\n0.050756 0.050756 0.050756 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.2743710183702888,
"density_atomic": 0.06389670590175883,
"volume": 62.60103621225793,
"volume_molar": 9.424806294801863,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -36.9071228,
"energy_per_atom": -9.2267807,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.9071228,
"band_gap": 4.5566,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.76e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.865000Z",
"spacegroup": 166
},
{
"id": "mp-1096869",
"created_at": "2022-09-04T14:40:52.309124Z",
"structure_string": "C71\n1.0\n7.424126 12.776585 0.000000\n-7.424126 12.776585 0.000000\n0.000000 0.001516 7.496735\nC\n71\ndirect\n0.056211 0.221304 0.494214 C\n0.222177 0.722579 0.495959 C\n0.721894 0.054660 0.496307 C\n0.221304 0.056211 0.494214 C\n0.722579 0.222177 0.495959 C\n0.054660 0.721894 0.496307 C\n0.000175 0.166014 0.491746 C\n0.165977 0.833476 0.493007 C\n0.832880 0.998966 0.493670 C\n0.166014 0.000175 0.491746 C\n0.833476 0.165977 0.493007 C\n0.998966 0.832880 0.493670 C\n0.500304 0.166967 0.494877 C\n0.167171 0.333420 0.494244 C\n0.334316 0.500787 0.494709 C\n0.166967 0.500304 0.494877 C\n0.333420 0.167171 0.494244 C\n0.500787 0.334316 0.494709 C\n0.056665 0.387981 0.500326 C\n0.389792 0.556625 0.500524 C\n0.555470 0.056137 0.500569 C\n0.387981 0.056665 0.500326 C\n0.556625 0.389792 0.500524 C\n0.056137 0.555470 0.500569 C\n0.001844 0.331747 0.501049 C\n0.333616 0.667519 0.501627 C\n0.666123 0.998800 0.501753 C\n0.331747 0.001844 0.501049 C\n0.667519 0.333616 0.501627 C\n0.998800 0.666123 0.501753 C\n0.891473 0.385980 0.508090 C\n0.388983 0.723780 0.507939 C\n0.721288 0.886614 0.507092 C\n0.385980 0.891473 0.508090 C\n0.723780 0.388983 0.507939 C\n0.886614 0.721288 0.507092 C\n0.836836 0.496854 0.515475 C\n0.501823 0.668902 0.515262 C\n0.664782 0.829818 0.513089 C\n0.496854 0.836836 0.515475 C\n0.668902 0.501823 0.515262 C\n0.829818 0.664782 0.513089 C\n0.889327 0.221223 0.495593 C\n0.221223 0.889327 0.495593 C\n0.887992 0.887992 0.496566 C\n0.834539 0.332201 0.504605 C\n0.332201 0.834539 0.504605 C\n0.831926 0.831926 0.504075 C\n0.729906 0.549782 0.519941 C\n0.549782 0.729906 0.519941 C\n0.719523 0.719523 0.515839 C\n0.666724 0.166342 0.494826 C\n0.166778 0.166778 0.492662 C\n0.166342 0.666724 0.494826 C\n0.556072 0.222699 0.494123 C\n0.222393 0.222393 0.492879 C\n0.222699 0.556072 0.494123 C\n0.389187 0.222811 0.492605 C\n0.222811 0.389187 0.492605 C\n0.389708 0.389708 0.492621 C\n0.333897 0.333897 0.490980 C\n0.000550 0.499492 0.505049 C\n0.501701 0.501701 0.505118 C\n0.499492 0.000550 0.505049 C\n0.891353 0.553430 0.512557 C\n0.557031 0.557031 0.513344 C\n0.553430 0.891353 0.512557 C\n0.054797 0.888548 0.489823 C\n0.888548 0.054797 0.489823 C\n0.055177 0.055177 0.488396 C\n0.999453 0.999453 0.487902 C\n",
"nsites": 71,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 0.9956655665045799,
"density_atomic": 0.04992247074231997,
"volume": 1422.2052503465602,
"volume_molar": 12.062986207321162,
"formula_full": "C71",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -646.86646431,
"energy_per_atom": -9.110795271971831,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -646.86646431,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.889947,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.508000Z",
"spacegroup": 8
},
{
"id": "mp-569567",
"created_at": "2022-09-04T14:43:12.872258Z",
"structure_string": "C14\n1.0\n14.498452 -1.262938 0.000000\n14.498452 1.262938 0.000000\n14.388439 0.000000 2.184704\nC\n14\ndirect\n0.410464 0.410464 0.410464 C\n0.303695 0.303695 0.303695 C\n0.589536 0.589536 0.589536 C\n0.172575 0.172575 0.172575 C\n0.827425 0.827425 0.827425 C\n0.553387 0.553387 0.553387 C\n0.208138 0.208138 0.208138 C\n0.731887 0.731887 0.731887 C\n0.268113 0.268113 0.268113 C\n0.446613 0.446613 0.446613 C\n0.017804 0.017804 0.017804 C\n0.791862 0.791862 0.791862 C\n0.696305 0.696305 0.696305 C\n0.982196 0.982196 0.982196 C\n",
"nsites": 14,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.4899498577888632,
"density_atomic": 0.17498538216931178,
"volume": 80.0066829951197,
"volume_molar": 3.4415107624093517,
"formula_full": "C14",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -127.15387561,
"energy_per_atom": -9.08241968642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.15387561,
"band_gap": 4.3842,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001419,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.010000Z",
"spacegroup": 166
},
{
"id": "mp-1067285",
"created_at": "2022-09-04T14:39:43.459305Z",
"structure_string": "Ca4\n1.0\n3.468139 -3.594496 0.000000\n3.468139 3.594496 0.000000\n0.000000 0.000000 6.989240\nCa\n4\ndirect\n0.160718 0.839282 0.196981 Ca\n0.839282 0.160718 0.803019 Ca\n0.339282 0.660718 0.696981 Ca\n0.660718 0.339282 0.303019 Ca\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.527638800043777,
"density_atomic": 0.022954378680274275,
"volume": 174.25869180407742,
"volume_molar": 26.235259267440313,
"formula_full": "Ca4",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -6.91507784,
"energy_per_atom": -1.72876946,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.91507784,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033316,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.625000Z",
"spacegroup": 64
},
{
"id": "mp-21",
"created_at": "2022-09-04T14:44:46.152862Z",
"structure_string": "Ca1\n1.0\n-2.192751 2.192751 2.192751\n2.192751 -2.192751 2.192751\n2.192751 2.192751 -2.192751\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.5780733797530162,
"density_atomic": 0.023712211252472085,
"volume": 42.17236382354456,
"volume_molar": 25.396791112731712,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -1.98205783,
"energy_per_atom": -1.98205783,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.98205783,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009681,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.592000Z",
"spacegroup": 229
},
{
"id": "mp-45",
"created_at": "2022-09-04T14:41:24.567545Z",
"structure_string": "Ca1\n1.0\n0.000000 2.753685 2.753685\n2.753685 0.000000 2.753685\n2.753685 2.753685 0.000000\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.5936111734899185,
"density_atomic": 0.023945682935230226,
"volume": 41.76118103229138,
"volume_molar": 25.14917104803008,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -2.00559988,
"energy_per_atom": -2.00559988,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.00559988,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031471,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:24.206000Z",
"spacegroup": 225
},
{
"id": "mp-1183455",
"created_at": "2022-09-04T14:40:00.770332Z",
"structure_string": "Ca1\n1.0\n-2.085022 2.085022 2.407126\n2.085022 -2.085022 2.407126\n2.085022 2.085022 -2.407126\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.5899191478350851,
"density_atomic": 0.023890206369057712,
"volume": 41.85815662501715,
"volume_molar": 25.207571114997982,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -1.9925282,
"energy_per_atom": -1.9925282,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.9925282,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017857,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.655000Z",
"spacegroup": 139
},
{
"id": "mp-1008498",
"created_at": "2022-09-04T14:41:11.006806Z",
"structure_string": "Ca4\n1.0\n-3.728040 3.728040 3.263556\n3.728040 -3.728040 3.263556\n3.728040 3.728040 -3.263556\nCa\n4\ndirect\n0.169766 0.669766 0.839531 Ca\n0.830234 0.330234 0.160469 Ca\n0.330234 0.169766 0.500000 Ca\n0.669766 0.830234 0.500000 Ca\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.467246027055084,
"density_atomic": 0.022046913786940476,
"volume": 181.4312895970685,
"volume_molar": 27.315119105546756,
"formula_full": "Ca4",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -7.36275945,
"energy_per_atom": -1.8406898625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.36275945,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0470562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.129000Z",
"spacegroup": 140
},
{
"id": "mp-10683",
"created_at": "2022-09-04T14:48:11.922845Z",
"structure_string": "Ca1\n1.0\n3.521797 0.000000 0.000000\n0.000000 3.521797 0.000000\n0.000000 0.000000 3.521797\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.5235691872633743,
"density_atomic": 0.022893228470656158,
"volume": 43.68103875264992,
"volume_molar": 26.30533639114726,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -1.60598638,
"energy_per_atom": -1.60598638,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.60598638,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022966,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:31.961000Z",
"spacegroup": 221
},
{
"id": "mp-132",
"created_at": "2022-09-04T14:40:20.713519Z",
"structure_string": "Ca2\n1.0\n1.948306 -3.374565 0.000000\n1.948306 3.374565 0.000000\n0.000000 0.000000 6.451322\nCa\n2\ndirect\n0.333333 0.666667 0.250000 Ca\n0.666667 0.333333 0.750000 Ca\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.56903074470097,
"density_atomic": 0.023576336156051227,
"volume": 84.83082302364735,
"volume_molar": 25.543157851752657,
"formula_full": "Ca2",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -3.9990463,
"energy_per_atom": -1.99952315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.9990463,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0138661,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.413000Z",
"spacegroup": 194
},
{
"id": "mp-1183484",
"created_at": "2022-09-04T14:48:05.898626Z",
"structure_string": "Ca4\n1.0\n1.942791 -3.365013 0.000000\n1.942791 3.365013 0.000000\n0.000000 0.000000 12.820621\nCa\n4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.250000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.750000 Ca\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.5880466021324728,
"density_atomic": 0.023862069401632786,
"volume": 167.6300547397744,
"volume_molar": 25.237294631235663,
"formula_full": "Ca4",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -7.99680069,
"energy_per_atom": -1.9992001725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.99680069,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028652,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.974000Z",
"spacegroup": 194
}
]
}