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=-density_atomic&page=11478",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=11476",
"results": [
{
"id": "mp-772199",
"created_at": "2022-09-04T14:48:21.731990Z",
"structure_string": "Rb18 Cl6 O6\n1.0\n3.872940 -6.708129 0.000000\n3.872940 6.708129 0.000000\n0.000000 0.000000 19.740944\nRb Cl O\n18 6 6\ndirect\n0.165727 0.834273 0.917709 Rb\n0.165727 0.834273 0.582291 Rb\n0.027618 0.513809 0.750000 Rb\n0.165727 0.331455 0.582291 Rb\n0.165727 0.331455 0.917709 Rb\n0.486191 0.972382 0.750000 Rb\n0.486191 0.513809 0.750000 Rb\n0.331455 0.165727 0.082291 Rb\n0.331455 0.165727 0.417709 Rb\n0.668545 0.834273 0.917709 Rb\n0.668545 0.834273 0.582291 Rb\n0.513809 0.486191 0.250000 Rb\n0.513809 0.027618 0.250000 Rb\n0.834273 0.668545 0.082291 Rb\n0.834273 0.668545 0.417709 Rb\n0.972382 0.486191 0.250000 Rb\n0.834273 0.165727 0.082291 Rb\n0.834273 0.165727 0.417709 Rb\n0.333333 0.666667 0.088987 Cl\n0.000000 0.000000 0.250000 Cl\n0.333333 0.666667 0.411013 Cl\n0.000000 0.000000 0.750000 Cl\n0.666667 0.333333 0.588987 Cl\n0.666667 0.333333 0.911013 Cl\n0.333333 0.666667 0.839576 O\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.333333 0.666667 0.660424 O\n0.666667 0.333333 0.339576 O\n0.666667 0.333333 0.160424 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Rb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Rb",
"density": 2.9902507032401244,
"density_atomic": 0.029246989416512693,
"volume": 1025.7466015651567,
"volume_molar": 20.5906347290567,
"formula_full": "Rb18 Cl6 O6",
"formula_reduced": "Rb3ClO",
"formula_anonymous": "ABC3",
"energy": -105.00659949,
"energy_per_atom": -3.500219983,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.20059949,
"band_gap": 0.6094999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000153,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:05.426000Z",
"spacegroup": 194
},
{
"id": "mp-1211803",
"created_at": "2022-09-04T14:44:15.731130Z",
"structure_string": "K6 Au6 Br16\n1.0\n3.951936 6.307420 0.000000\n-3.951936 6.307420 0.000000\n0.000000 2.324895 19.203972\nK Au Br\n6 6 16\ndirect\n0.677580 0.685743 0.414633 K\n0.322420 0.314257 0.585367 K\n0.314257 0.322420 0.085367 K\n0.685743 0.677580 0.914633 K\n0.984617 0.015383 0.250000 K\n0.015383 0.984617 0.750000 K\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n0.612272 0.617190 0.190442 Au\n0.387728 0.382810 0.809558 Au\n0.382810 0.387728 0.309558 Au\n0.617190 0.612272 0.690442 Au\n0.313181 0.758552 0.123961 Br\n0.686819 0.241448 0.876039 Br\n0.241448 0.686819 0.376039 Br\n0.758552 0.313181 0.623961 Br\n0.507328 0.088957 0.242282 Br\n0.492672 0.911043 0.757718 Br\n0.911043 0.492672 0.257718 Br\n0.088957 0.507328 0.742282 Br\n0.784648 0.846609 0.063044 Br\n0.215352 0.153391 0.936956 Br\n0.153391 0.215352 0.436956 Br\n0.846609 0.784648 0.563044 Br\n0.699818 0.164430 0.426528 Br\n0.300182 0.835570 0.573472 Br\n0.835570 0.300182 0.073472 Br\n0.164430 0.699818 0.926528 Br\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Au",
"Br"
],
"chemical_system": "Au-Br-K",
"density": 4.674137658352493,
"density_atomic": 0.0292465954607056,
"volume": 957.3763906167995,
"volume_molar": 20.59091208783968,
"formula_full": "K6 Au6 Br16",
"formula_reduced": "K3Au3Br8",
"formula_anonymous": "A3B3C8",
"energy": -85.44402169,
"energy_per_atom": -3.0515722032142856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.90002169,
"band_gap": 0.8133999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001554,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.455000Z",
"spacegroup": 15
},
{
"id": "mp-579614",
"created_at": "2022-09-04T14:41:58.139686Z",
"structure_string": "Y32 B8 C16 I38\n1.0\n-12.607433 0.000000 0.000000\n5.608349 13.353870 0.000000\n-0.133559 -5.409389 -19.090831\nY B C I\n32 8 16 38\ndirect\n0.314605 0.340557 0.220661 Y\n0.570458 0.347509 0.221691 Y\n0.685395 0.659443 0.779339 Y\n0.398130 0.264831 0.043071 Y\n0.321292 0.710965 0.543939 Y\n0.859497 0.728054 0.541856 Y\n0.639120 0.504621 0.408464 Y\n0.443571 0.651647 0.279151 Y\n0.397959 0.263986 0.372909 Y\n0.138851 0.276756 0.956051 Y\n0.325171 0.714459 0.041858 Y\n0.405044 0.262793 0.872643 Y\n0.861149 0.723244 0.043949 Y\n0.678708 0.289035 0.456061 Y\n0.601870 0.735169 0.956929 Y\n0.594956 0.737207 0.127357 Y\n0.637658 0.502308 0.091718 Y\n0.362342 0.497692 0.908282 Y\n0.140503 0.271946 0.458144 Y\n0.699971 0.659944 0.278013 Y\n0.404957 0.264610 0.543024 Y\n0.366412 0.496716 0.407904 Y\n0.366383 0.497410 0.091998 Y\n0.633617 0.502590 0.908002 Y\n0.429542 0.652491 0.778309 Y\n0.360880 0.495379 0.591536 Y\n0.674829 0.285541 0.958142 Y\n0.595043 0.735390 0.456976 Y\n0.633588 0.503284 0.592096 Y\n0.556429 0.348353 0.720849 Y\n0.300029 0.340056 0.721987 Y\n0.602041 0.736014 0.627091 Y\n0.508015 0.501147 0.205254 B\n0.470777 0.430115 0.486991 B\n0.491985 0.498853 0.794746 B\n0.470753 0.430101 0.987019 B\n0.529247 0.569899 0.012981 B\n0.492287 0.500710 0.705332 B\n0.507713 0.499290 0.294668 B\n0.529223 0.569885 0.513009 B\n0.666032 0.635932 0.525267 C\n0.460735 0.391775 0.315635 C\n0.449854 0.391698 0.816002 C\n0.444945 0.630061 0.024958 C\n0.553716 0.368634 0.475779 C\n0.539265 0.608225 0.684365 C\n0.334057 0.363178 0.975523 C\n0.450837 0.394960 0.644472 C\n0.555055 0.369939 0.975042 C\n0.665943 0.636822 0.024477 C\n0.550146 0.608302 0.183998 C\n0.461146 0.395246 0.144634 C\n0.446284 0.631366 0.524221 C\n0.333968 0.364068 0.474733 C\n0.549163 0.605040 0.355528 C\n0.538854 0.604754 0.855366 C\n0.455389 0.085722 0.947018 I\n0.616895 0.867752 0.833890 I\n0.502885 0.905391 0.640911 I\n0.111687 0.352888 0.824868 I\n0.615212 0.205037 0.584190 I\n0.869246 0.193905 0.437868 I\n0.845669 0.912047 0.143448 I\n0.873243 0.506038 0.949576 I\n0.862672 0.812320 0.702473 I\n0.383105 0.132248 0.166110 I\n0.137328 0.187680 0.297527 I\n0.771103 0.366409 0.324802 I\n0.866860 0.808387 0.916537 I\n0.750813 0.338608 0.114470 I\n0.544611 0.914278 0.052982 I\n0.108294 0.325188 0.615076 I\n0.891706 0.674812 0.384924 I\n0.818095 0.922009 0.538960 I\n0.135488 0.810610 0.057166 I\n0.805636 0.509786 0.748928 I\n0.864512 0.189390 0.942834 I\n0.127369 0.491335 0.450634 I\n0.249187 0.661392 0.885530 I\n0.130754 0.806095 0.562132 I\n0.624252 0.211765 0.797768 I\n0.194364 0.490214 0.251072 I\n0.181905 0.077991 0.461040 I\n0.497115 0.094609 0.359089 I\n0.384788 0.794963 0.415810 I\n0.154331 0.087953 0.856552 I\n0.872631 0.508665 0.549366 I\n0.683948 0.868514 0.327943 I\n0.133140 0.191613 0.083463 I\n0.126757 0.493962 0.050424 I\n0.228897 0.633591 0.675198 I\n0.375748 0.788235 0.202232 I\n0.316052 0.131486 0.672057 I\n0.888313 0.647112 0.175132 I\n",
"nsites": 94,
"nelements": 4,
"elements": [
"Y",
"B",
"C",
"I"
],
"chemical_system": "B-C-I-Y",
"density": 4.105252751723612,
"density_atomic": 0.02924618397233488,
"volume": 3214.0945324326176,
"volume_molar": 20.591201798144265,
"formula_full": "Y32 B8 C16 I38",
"formula_reduced": "Y16B4C8I19",
"formula_anonymous": "A4B8C16D19",
"energy": -580.3115798700001,
"energy_per_atom": -6.173527445425533,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -565.90957987,
"band_gap": 0.2362000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0154915,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:34.748000Z",
"spacegroup": 2
},
{
"id": "mp-1194900",
"created_at": "2022-09-04T14:43:18.288851Z",
"structure_string": "K32 Nb4 Sn4 As20\n1.0\n4.759609 15.920823 0.000000\n-4.759609 15.920823 0.000000\n0.000000 1.220861 13.538393\nK Nb Sn As\n32 4 4 20\ndirect\n0.479614 0.815424 0.042670 K\n0.184576 0.520386 0.457330 K\n0.520386 0.184576 0.957330 K\n0.815424 0.479614 0.542670 K\n0.277822 0.191322 0.945365 K\n0.808678 0.722178 0.554635 K\n0.722178 0.808678 0.054635 K\n0.191322 0.277822 0.445365 K\n0.395362 0.731856 0.793189 K\n0.268144 0.604638 0.706811 K\n0.604638 0.268144 0.206811 K\n0.731856 0.395362 0.293189 K\n0.635640 0.715363 0.783378 K\n0.284637 0.364360 0.716622 K\n0.364360 0.284637 0.216622 K\n0.715363 0.635640 0.283378 K\n0.014303 0.063618 0.879943 K\n0.936382 0.985697 0.620057 K\n0.985697 0.936382 0.120057 K\n0.063618 0.014303 0.379943 K\n0.076717 0.153424 0.102522 K\n0.846576 0.923283 0.397478 K\n0.923283 0.846576 0.897478 K\n0.153424 0.076717 0.602522 K\n0.593472 0.365925 0.895177 K\n0.634075 0.406528 0.604823 K\n0.406528 0.634075 0.104823 K\n0.365925 0.593472 0.395177 K\n0.931757 0.620346 0.831523 K\n0.379654 0.068243 0.668477 K\n0.068243 0.379654 0.168477 K\n0.620346 0.931757 0.331523 K\n0.996255 0.316546 0.819437 Nb\n0.683454 0.003745 0.680563 Nb\n0.003745 0.683454 0.180563 Nb\n0.316546 0.996255 0.319437 Nb\n0.714590 0.467027 0.962830 Sn\n0.532973 0.285410 0.537170 Sn\n0.285410 0.532973 0.037170 Sn\n0.467027 0.714590 0.462830 Sn\n0.787446 0.273913 0.076578 As\n0.726087 0.212554 0.423422 As\n0.212554 0.726087 0.923422 As\n0.273913 0.787446 0.576578 As\n0.877906 0.471650 0.973684 As\n0.528350 0.122094 0.526316 As\n0.122094 0.528350 0.026316 As\n0.471650 0.877906 0.473684 As\n0.029400 0.400219 0.685864 As\n0.599781 0.970600 0.814136 As\n0.970600 0.599781 0.314136 As\n0.400219 0.029400 0.185864 As\n0.235623 0.046494 0.852073 As\n0.953506 0.764377 0.647927 As\n0.764377 0.953506 0.147927 As\n0.046494 0.235623 0.352073 As\n0.798302 0.386442 0.766985 As\n0.613558 0.201698 0.733015 As\n0.201698 0.613558 0.233015 As\n0.386442 0.798302 0.266985 As\n",
"nsites": 60,
"nelements": 4,
"elements": [
"K",
"Nb",
"Sn",
"As"
],
"chemical_system": "As-K-Nb-Sn",
"density": 2.910315581320832,
"density_atomic": 0.029242691771936263,
"volume": 2051.7947002943492,
"volume_molar": 20.593660826324307,
"formula_full": "K32 Nb4 Sn4 As20",
"formula_reduced": "K8NbSnAs5",
"formula_anonymous": "ABC5D8",
"energy": -214.12870191,
"energy_per_atom": -3.5688116985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -214.12870191,
"band_gap": 1.2448,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001879,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.770000Z",
"spacegroup": 15
},
{
"id": "mp-1110706",
"created_at": "2022-09-04T14:43:13.644466Z",
"structure_string": "Rb2 Li1 Y1 Br6\n1.0\n0.000000 5.550356 5.550356\n5.550356 0.000000 5.550356\n5.550356 5.550356 0.000000\nRb Li Y Br\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 Li\n0.000000 0.000000 0.000000 Y\n0.748172 0.251828 0.251828 Br\n0.251828 0.251828 0.748172 Br\n0.251828 0.748172 0.748172 Br\n0.251828 0.748172 0.251828 Br\n0.748172 0.251828 0.748172 Br\n0.748172 0.748172 0.251828 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Y",
"Br"
],
"chemical_system": "Br-Li-Rb-Y",
"density": 3.6233941716101143,
"density_atomic": 0.029242027776549558,
"volume": 341.973548360399,
"volume_molar": 20.5941284442299,
"formula_full": "Rb2 Li1 Y1 Br6",
"formula_reduced": "Rb2LiYBr6",
"formula_anonymous": "ABC2D6",
"energy": -41.32305466,
"energy_per_atom": -4.132305466,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.11905466,
"band_gap": 4.042,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004278,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.261000Z",
"spacegroup": 225
},
{
"id": "mp-1187899",
"created_at": "2022-09-04T14:40:05.206253Z",
"structure_string": "Yb4 Mg2\n1.0\n1.859061 -9.328326 0.000000\n1.859061 9.328326 0.000000\n0.000000 0.000000 5.915863\nYb Mg\n4 2\ndirect\n0.592722 0.407278 0.750000 Yb\n0.281169 0.718831 0.750000 Yb\n0.407278 0.592722 0.250000 Yb\n0.718831 0.281169 0.250000 Yb\n0.938477 0.061523 0.750000 Mg\n0.061523 0.938477 0.250000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"Mg"
],
"chemical_system": "Mg-Yb",
"density": 5.994970139924414,
"density_atomic": 0.029241913722557328,
"volume": 205.1849293082202,
"volume_molar": 20.594208768745858,
"formula_full": "Yb4 Mg2",
"formula_reduced": "Yb2Mg",
"formula_anonymous": "AB2",
"energy": -9.4386064,
"energy_per_atom": -1.5731010666666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.4386064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008498,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.033000Z",
"spacegroup": 63
},
{
"id": "mp-1111240",
"created_at": "2022-09-04T14:43:08.394195Z",
"structure_string": "K2 Na1 As1 Br6\n1.0\n0.000000 5.550376 5.550376\n5.550376 0.000000 5.550376\n5.550376 5.550376 0.000000\nK Na As Br\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 Na\n0.000000 0.000000 0.000000 As\n0.760485 0.239515 0.239515 Br\n0.239515 0.239515 0.760485 Br\n0.239515 0.760485 0.760485 Br\n0.239515 0.760485 0.239515 Br\n0.760485 0.239515 0.760485 Br\n0.760485 0.760485 0.239515 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"As",
"Br"
],
"chemical_system": "As-Br-K-Na",
"density": 3.183066884826823,
"density_atomic": 0.029241711669074237,
"volume": 341.9772451479271,
"volume_molar": 20.59435106997844,
"formula_full": "K2 Na1 As1 Br6",
"formula_reduced": "K2NaAsBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.82188133,
"energy_per_atom": -3.2821881329999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.61788133,
"band_gap": 2.5764,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012823,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.361000Z",
"spacegroup": 225
},
{
"id": "mp-1095515",
"created_at": "2022-09-04T14:39:32.407901Z",
"structure_string": "Cd2 C2 N2 Cl6\n1.0\n7.008551 0.000000 0.000000\n0.000000 6.860195 0.000000\n0.000000 2.625693 8.535480\nCd C N Cl\n2 2 2 6\ndirect\n0.500000 0.000000 0.000000 Cd\n0.000000 0.000000 0.000000 Cd\n0.750000 0.527580 0.352650 C\n0.250000 0.472420 0.647350 C\n0.750000 0.361319 0.342909 N\n0.250000 0.638681 0.657091 N\n0.250000 0.241181 0.051317 Cl\n0.750000 0.758819 0.948683 Cl\n0.750000 0.756182 0.371327 Cl\n0.250000 0.243818 0.628673 Cl\n0.750000 0.275390 0.880901 Cl\n0.250000 0.724610 0.119099 Cl\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Cd",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cd-Cl-N",
"density": 1.9809590818641072,
"density_atomic": 0.029240756104869703,
"volume": 410.3861048244762,
"volume_molar": 20.595024076675923,
"formula_full": "Cd2 C2 N2 Cl6",
"formula_reduced": "CdCNCl3",
"formula_anonymous": "ABCD3",
"energy": -55.29280404,
"energy_per_atom": -4.60773367,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.88680404,
"band_gap": 2.9631000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.16e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.167000Z",
"spacegroup": 11
},
{
"id": "mp-17470",
"created_at": "2022-09-04T14:39:20.580813Z",
"structure_string": "Ba12 Sn8 As16\n1.0\n20.155522 0.000000 0.000000\n0.000000 8.066997 0.000000\n0.000000 3.095579 7.572761\nBa Sn As\n12 8 16\ndirect\n0.317046 0.009350 0.786909 Ba\n0.817046 0.490650 0.213091 Ba\n0.682954 0.990650 0.213091 Ba\n0.182954 0.509350 0.786909 Ba\n0.439288 0.994907 0.261675 Ba\n0.939288 0.505093 0.738325 Ba\n0.560712 0.005093 0.738325 Ba\n0.060712 0.494907 0.261675 Ba\n0.436801 0.511195 0.742593 Ba\n0.936801 0.988805 0.257407 Ba\n0.563199 0.488805 0.257407 Ba\n0.063199 0.011195 0.742593 Ba\n0.623297 0.525719 0.789943 Sn\n0.123297 0.974281 0.210057 Sn\n0.376703 0.474281 0.210057 Sn\n0.876703 0.025719 0.789943 Sn\n0.741905 0.400659 0.683381 Sn\n0.758095 0.900659 0.683381 Sn\n0.258095 0.599341 0.316619 Sn\n0.241905 0.099341 0.316619 Sn\n0.435797 0.253853 0.498151 As\n0.935797 0.246147 0.501849 As\n0.564203 0.746147 0.501849 As\n0.064203 0.753853 0.498151 As\n0.445181 0.750589 0.001016 As\n0.945181 0.749411 0.998984 As\n0.554819 0.249411 0.998984 As\n0.054819 0.250589 0.001016 As\n0.182875 0.784117 0.035378 As\n0.682875 0.715883 0.964622 As\n0.817125 0.215883 0.964622 As\n0.317125 0.284117 0.035378 As\n0.800934 0.715456 0.487658 As\n0.699066 0.215456 0.487658 As\n0.199066 0.284544 0.512342 As\n0.300934 0.784544 0.512342 As\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"As"
],
"chemical_system": "As-Ba-Sn",
"density": 5.119824807964176,
"density_atomic": 0.0292376393403597,
"volume": 1231.2895573038115,
"volume_molar": 20.59721952889344,
"formula_full": "Ba12 Sn8 As16",
"formula_reduced": "Ba3(SnAs2)2",
"formula_anonymous": "A2B3C4",
"energy": -159.21130382,
"energy_per_atom": -4.4225362172222225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -159.21130382,
"band_gap": 0.6244999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 8.56e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.707000Z",
"spacegroup": 14
},
{
"id": "mp-1215924",
"created_at": "2022-09-04T14:43:36.871346Z",
"structure_string": "Y1 Sb1 Te3\n1.0\n-2.175071 -3.767335 0.000000\n4.350143 0.000000 0.000000\n2.175071 1.255778 10.434977\nY Sb Te\n1 1 3\ndirect\n0.602201 0.397799 0.806602 Y\n0.399137 0.600862 0.197412 Sb\n0.216129 0.783871 0.648387 Te\n0.784818 0.215182 0.354454 Te\n0.997715 0.002285 0.993144 Te\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Sb",
"Te"
],
"chemical_system": "Sb-Te-Y",
"density": 5.762561331501115,
"density_atomic": 0.029237533624239156,
"volume": 171.01305685561616,
"volume_molar": 20.597294003648074,
"formula_full": "Y1 Sb1 Te3",
"formula_reduced": "YSbTe3",
"formula_anonymous": "ABC3",
"energy": -25.03698879,
"energy_per_atom": -5.007397758,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.77098879,
"band_gap": 0.8608000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.82e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.177000Z",
"spacegroup": 160
},
{
"id": "mp-975812",
"created_at": "2022-09-04T14:47:32.175352Z",
"structure_string": "Pr1 Sm3\n1.0\n-2.574807 2.574807 5.159360\n2.574807 -2.574807 5.159360\n2.574807 2.574807 -5.159360\nPr Sm\n1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Sm"
],
"chemical_system": "Pr-Sm",
"density": 7.184831015118824,
"density_atomic": 0.029235788094438636,
"volume": 136.81861378523598,
"volume_molar": 20.598523770069185,
"formula_full": "Pr1 Sm3",
"formula_reduced": "PrSm3",
"formula_anonymous": "AB3",
"energy": -18.87469672,
"energy_per_atom": -4.71867418,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.87469672,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006656,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.198000Z",
"spacegroup": 139
},
{
"id": "mp-29637",
"created_at": "2022-09-04T14:39:49.337257Z",
"structure_string": "K8 Mn2 Br12\n1.0\n6.441353 -6.422062 0.000000\n6.441353 6.422062 0.000000\n0.038524 0.000000 9.095737\nK Mn Br\n8 2 12\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.871785 0.628215 0.250000 K\n0.628215 0.250000 0.871785 K\n0.250000 0.871786 0.628214 K\n0.128214 0.371786 0.750000 K\n0.371786 0.750000 0.128214 K\n0.750000 0.128215 0.371785 K\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.943279 0.286969 0.068442 Br\n0.286969 0.068442 0.943279 Br\n0.068442 0.943279 0.286969 Br\n0.213031 0.556721 0.431558 Br\n0.556721 0.431558 0.213031 Br\n0.431558 0.213031 0.556721 Br\n0.056721 0.713031 0.931558 Br\n0.713031 0.931558 0.056721 Br\n0.931558 0.056721 0.713031 Br\n0.786969 0.443279 0.568442 Br\n0.443279 0.568442 0.786969 Br\n0.568442 0.786969 0.443279 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
"K",
"Mn",
"Br"
],
"chemical_system": "Br-K-Mn",
"density": 3.0484831595202317,
"density_atomic": 0.029235006629896965,
"volume": 752.5224905371447,
"volume_molar": 20.599074377638424,
"formula_full": "K8 Mn2 Br12",
"formula_reduced": "K4MnBr6",
"formula_anonymous": "AB4C6",
"energy": -86.32856374,
"energy_per_atom": -3.924025624545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.92056374,
"band_gap": 2.3071,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0011353,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.741000Z",
"spacegroup": 167
}
]
}