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=124",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=122",
"results": [
{
"id": "mp-1112081",
"created_at": "2022-09-04T14:47:43.793132Z",
"structure_string": "K2 Tl1 Ag1 Cl6\n1.0\n0.000000 5.309369 5.309369\n5.309369 0.000000 5.309369\n5.309369 5.309369 0.000000\nK Tl Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n0.751065 0.248935 0.248935 Cl\n0.248935 0.248935 0.751065 Cl\n0.248935 0.751065 0.751065 Cl\n0.248935 0.751065 0.248935 Cl\n0.751065 0.248935 0.751065 Cl\n0.751065 0.751065 0.248935 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-K-Tl",
"density": 3.3460104826645223,
"density_atomic": 0.03340729215054485,
"volume": 299.33584425030705,
"volume_molar": 18.026425885887857,
"formula_full": "K2 Tl1 Ag1 Cl6",
"formula_reduced": "K2TlAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -33.64614583,
"energy_per_atom": -3.3646145830000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.96214583,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004474,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.366000Z",
"spacegroup": 225
},
{
"id": "mp-1112443",
"created_at": "2022-09-04T14:40:32.380900Z",
"structure_string": "K2 Tm1 Ag1 Cl6\n1.0\n0.000000 5.320359 5.320359\n5.320359 0.000000 5.320359\n5.320359 5.320359 0.000000\nK Tm Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Ag\n0.756504 0.243496 0.243496 Cl\n0.243496 0.243496 0.756504 Cl\n0.243496 0.756504 0.756504 Cl\n0.243496 0.756504 0.243496 Cl\n0.756504 0.243496 0.756504 Cl\n0.756504 0.756504 0.243496 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tm",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-K-Tm",
"density": 3.129883658036682,
"density_atomic": 0.033200696166624064,
"volume": 301.19850348357403,
"volume_molar": 18.138597846794333,
"formula_full": "K2 Tm1 Ag1 Cl6",
"formula_reduced": "K2TmAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.10354111,
"energy_per_atom": -4.210354111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.41954111,
"band_gap": 3.6439,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.73e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.079000Z",
"spacegroup": 225
},
{
"id": "mp-1110872",
"created_at": "2022-09-04T14:44:11.349545Z",
"structure_string": "K2 Y1 Ag1 Cl6\n1.0\n0.000000 5.361774 5.361774\n5.361774 0.000000 5.361774\n5.361774 5.361774 0.000000\nK Y Ag Cl\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 Y\n0.000000 0.000000 0.000000 Ag\n0.745400 0.254600 0.254600 Cl\n0.254600 0.254600 0.745400 Cl\n0.254600 0.745400 0.745400 Cl\n0.254600 0.745400 0.254600 Cl\n0.745400 0.254600 0.745400 Cl\n0.745400 0.745400 0.254600 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Y",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-K-Y",
"density": 2.626855823230997,
"density_atomic": 0.03243728458554357,
"volume": 308.2872110835299,
"volume_molar": 18.56548979652849,
"formula_full": "K2 Y1 Ag1 Cl6",
"formula_reduced": "K2YAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -44.01793031,
"energy_per_atom": -4.4017930309999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.33393031,
"band_gap": 3.6689,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002499,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.315000Z",
"spacegroup": 225
},
{
"id": "mp-1111727",
"created_at": "2022-09-04T14:46:14.229983Z",
"structure_string": "Rb2 La1 Ag1 Cl6\n1.0\n0.000000 5.514615 5.514615\n5.514615 0.000000 5.514615\n5.514615 5.514615 0.000000\nRb La Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Ag\n0.749185 0.250815 0.250815 Cl\n0.250815 0.250815 0.749185 Cl\n0.250815 0.749185 0.749185 Cl\n0.250815 0.749185 0.250815 Cl\n0.749185 0.250815 0.749185 Cl\n0.749185 0.749185 0.250815 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"La",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-La-Rb",
"density": 3.121105861747568,
"density_atomic": 0.02981428584585238,
"volume": 335.4096774849011,
"volume_molar": 20.198842900802774,
"formula_full": "Rb2 La1 Ag1 Cl6",
"formula_reduced": "Rb2LaAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.70957345,
"energy_per_atom": -4.270957345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.02557345,
"band_gap": 3.573,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007052,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.602000Z",
"spacegroup": 225
},
{
"id": "mp-1236209",
"created_at": "2022-09-04T14:47:04.576255Z",
"structure_string": "Li1 Ag1 Cl1 O4\n1.0\n5.115937 0.150515 3.199479\n1.847220 4.773180 3.199479\n0.212861 0.150515 6.030271\nLi Ag Cl O\n1 1 1 4\ndirect\n0.328272 0.328272 0.328272 Li\n0.517246 0.517246 0.517246 Ag\n0.000525 0.000525 0.000525 Cl\n0.104720 0.686943 0.104720 O\n0.095075 0.095075 0.095075 O\n0.686943 0.104720 0.104720 O\n0.104720 0.104720 0.686943 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Li",
"Ag",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-Li-O",
"density": 2.525890966190281,
"density_atomic": 0.04969616168617199,
"volume": 140.85594867878413,
"volume_molar": 12.117919283242486,
"formula_full": "Li1 Ag1 Cl1 O4",
"formula_reduced": "LiAgClO4",
"formula_anonymous": "ABCD4",
"energy": -29.69909665,
"energy_per_atom": -4.242728092857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.95109665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9577844,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.741000Z",
"spacegroup": 160
},
{
"id": "mp-1235058",
"created_at": "2022-09-04T14:39:27.520610Z",
"structure_string": "Li1 Ag1 Cl1 O4\n1.0\n4.682528 0.000000 2.703459\n1.560843 4.414730 2.703459\n0.000000 0.000000 5.406918\nLi Ag Cl O\n1 1 1 4\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Cl\n0.111083 0.666752 0.111083 O\n0.111083 0.111083 0.111083 O\n0.666752 0.111083 0.111083 O\n0.111083 0.111083 0.666752 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Li",
"Ag",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-Li-O",
"density": 3.183138084192618,
"density_atomic": 0.06262730538208484,
"volume": 111.7723324880974,
"volume_molar": 9.61583884738348,
"formula_full": "Li1 Ag1 Cl1 O4",
"formula_reduced": "LiAgClO4",
"formula_anonymous": "ABCD4",
"energy": -28.44307782,
"energy_per_atom": -4.063296831428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.69507782,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.005562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.160000Z",
"spacegroup": 216
},
{
"id": "mp-1235767",
"created_at": "2022-09-04T14:42:05.916441Z",
"structure_string": "Li1 Ag1 Cl1 O4\n1.0\n4.930495 0.000000 2.846623\n1.643499 4.648515 2.846623\n0.000000 0.000000 5.693245\nLi Ag Cl O\n1 1 1 4\ndirect\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Cl\n0.104485 0.686546 0.104485 O\n0.104485 0.104485 0.104485 O\n0.686546 0.104485 0.104485 O\n0.104485 0.104485 0.686546 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Li",
"Ag",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-Li-O",
"density": 2.726623414470951,
"density_atomic": 0.05364551355406487,
"volume": 130.4862147129094,
"volume_molar": 11.225805032010333,
"formula_full": "Li1 Ag1 Cl1 O4",
"formula_reduced": "LiAgClO4",
"formula_anonymous": "ABCD4",
"energy": -29.72297474,
"energy_per_atom": -4.246139248571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.97497474,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8246562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.137000Z",
"spacegroup": 216
},
{
"id": "mp-1111531",
"created_at": "2022-09-04T14:44:23.028720Z",
"structure_string": "Na2 Lu1 Ag1 Cl6\n1.0\n0.000000 5.261266 5.261266\n5.261266 0.000000 5.261266\n5.261266 5.261266 0.000000\nNa Lu Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Ag\n0.756520 0.243480 0.243480 Cl\n0.243480 0.243480 0.756520 Cl\n0.243480 0.756520 0.756520 Cl\n0.243480 0.756520 0.243480 Cl\n0.756520 0.243480 0.756520 Cl\n0.756520 0.756520 0.243480 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Lu",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Lu-Na",
"density": 3.0872588234520144,
"density_atomic": 0.034332009645886,
"volume": 291.2733656766375,
"volume_molar": 17.540892077436638,
"formula_full": "Na2 Lu1 Ag1 Cl6",
"formula_reduced": "Na2LuAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -40.61116064,
"energy_per_atom": -4.061116064,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.92716064,
"band_gap": 3.0362,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.852000Z",
"spacegroup": 225
},
{
"id": "mp-1111632",
"created_at": "2022-09-04T14:39:08.794222Z",
"structure_string": "Rb2 Lu1 Ag1 Cl6\n1.0\n0.000000 5.332740 5.332740\n5.332740 0.000000 5.332740\n5.332740 5.332740 0.000000\nRb Lu Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Ag\n0.758070 0.241930 0.241930 Cl\n0.241930 0.241930 0.758070 Cl\n0.241930 0.758070 0.758070 Cl\n0.241930 0.758070 0.241930 Cl\n0.758070 0.241930 0.758070 Cl\n0.758070 0.758070 0.241930 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Lu",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Lu-Rb",
"density": 3.6488896328522316,
"density_atomic": 0.03296998688400262,
"volume": 303.3061564501897,
"volume_molar": 18.265523675176244,
"formula_full": "Rb2 Lu1 Ag1 Cl6",
"formula_reduced": "Rb2LuAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.234622650000006,
"energy_per_atom": -4.223462265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.55062265,
"band_gap": 3.681,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.771000Z",
"spacegroup": 225
},
{
"id": "mp-1214988",
"created_at": "2022-09-04T14:39:24.825850Z",
"structure_string": "Ag2 Mo12 Cl26\n1.0\n9.105344 0.000000 0.000000\n-3.806234 8.378461 0.000000\n-3.047556 -3.064493 13.508853\nAg Mo Cl\n2 12 26\ndirect\n0.017996 0.252513 0.772634 Ag\n0.982004 0.747487 0.227366 Ag\n0.314268 0.381936 0.542578 Mo\n0.685732 0.618064 0.457422 Mo\n0.363111 0.544539 0.401440 Mo\n0.636889 0.455461 0.598560 Mo\n0.702496 0.002909 0.064171 Mo\n0.297504 0.997091 0.935829 Mo\n0.604901 0.227525 0.025566 Mo\n0.395099 0.772475 0.974434 Mo\n0.455966 0.310265 0.413075 Mo\n0.544034 0.689735 0.586925 Mo\n0.447331 0.010153 0.119783 Mo\n0.552669 0.989847 0.880217 Mo\n0.067074 0.222914 0.597225 Cl\n0.932926 0.777086 0.402775 Cl\n0.236967 0.611249 0.528539 Cl\n0.763033 0.388751 0.471461 Cl\n0.745770 0.526961 0.066214 Cl\n0.254230 0.473039 0.933786 Cl\n0.160539 0.788613 0.028959 Cl\n0.839461 0.211387 0.971041 Cl\n0.412376 0.166861 0.551322 Cl\n0.587624 0.833139 0.448678 Cl\n0.508066 0.476202 0.286107 Cl\n0.491934 0.523798 0.713893 Cl\n0.354069 0.216257 0.074152 Cl\n0.645931 0.783743 0.925848 Cl\n0.541456 0.796531 0.149805 Cl\n0.458544 0.203469 0.850195 Cl\n0.389850 0.047227 0.290724 Cl\n0.610150 0.952773 0.709276 Cl\n0.741365 0.226694 0.197312 Cl\n0.258635 0.773306 0.802688 Cl\n0.964226 0.994462 0.146984 Cl\n0.035774 0.005538 0.853016 Cl\n0.154306 0.251595 0.367433 Cl\n0.845694 0.748405 0.632567 Cl\n0.179976 0.591081 0.266237 Cl\n0.820024 0.408919 0.733763 Cl\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ag",
"Mo",
"Cl"
],
"chemical_system": "Ag-Cl-Mo",
"density": 3.687880103720114,
"density_atomic": 0.03881333001912424,
"volume": 1030.5737740176137,
"volume_molar": 15.515650826746253,
"formula_full": "Ag2 Mo12 Cl26",
"formula_reduced": "AgMo6Cl13",
"formula_anonymous": "AB6C13",
"energy": -235.20479770000003,
"energy_per_atom": -5.8801199425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -219.2407977,
"band_gap": 2.3227,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003175,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.457000Z",
"spacegroup": 2
},
{
"id": "mp-1110796",
"created_at": "2022-09-04T14:46:39.387697Z",
"structure_string": "Rb2 Ag1 Mo1 Cl6\n1.0\n0.000000 5.206424 5.206424\n5.206424 0.000000 5.206424\n5.206424 5.206424 0.000000\nRb Ag Mo Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Mo\n0.762784 0.237216 0.237216 Cl\n0.237216 0.237216 0.762784 Cl\n0.237216 0.762784 0.762784 Cl\n0.237216 0.762784 0.237216 Cl\n0.762784 0.237216 0.762784 Cl\n0.762784 0.762784 0.237216 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ag",
"Mo",
"Cl"
],
"chemical_system": "Ag-Cl-Mo-Rb",
"density": 3.45605092959688,
"density_atomic": 0.03542838901006623,
"volume": 282.2595178448196,
"volume_molar": 16.998065473112355,
"formula_full": "Rb2 Ag1 Mo1 Cl6",
"formula_reduced": "Rb2AgMoCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.70611299,
"energy_per_atom": -4.2706112990000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.02211299,
"band_gap": 1.0147000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.9985798,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.362000Z",
"spacegroup": 225
},
{
"id": "mp-1221198",
"created_at": "2022-09-04T14:46:26.903006Z",
"structure_string": "Na4 Ag1 Cl5\n1.0\n-2.010587 2.833915 10.022855\n2.010587 -2.833915 10.022855\n2.010587 2.833915 -10.022855\nNa Ag Cl\n4 1 5\ndirect\n0.599741 0.599741 0.000000 Na\n0.200070 0.200070 0.000000 Na\n0.799930 0.799930 0.000000 Na\n0.400259 0.400259 0.000000 Na\n0.000000 0.000000 0.000000 Ag\n0.299978 0.799978 0.500000 Cl\n0.899354 0.399354 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n0.100646 0.600646 0.500000 Cl\n0.700022 0.200022 0.500000 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Na",
"density": 2.7411677055329635,
"density_atomic": 0.04377628176653771,
"volume": 228.434202185804,
"volume_molar": 13.756629199612112,
"formula_full": "Na4 Ag1 Cl5",
"formula_reduced": "Na4AgCl5",
"formula_anonymous": "AB4C5",
"energy": -35.70840252,
"energy_per_atom": -3.570840252,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.63840252,
"band_gap": 2.7265,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028079,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.490000Z",
"spacegroup": 71
}
]
}