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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=4465",
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"results": [
{
"id": "jvasp-116819",
"created_at": "2022-09-04T14:38:45.848390Z",
"updated_at": "2022-09-04T14:38:45.848423Z",
"structure_string": "Li3 V2 Fe3 O10\n1.0\n4.779925 -0.213957 1.424770\n0.440525 4.614422 1.572529\n0.017264 0.278549 7.546581\nLi V Fe O\n3 2 3 10\ndirect\n0.505641 0.785864 0.407446 Li\n-0.000001 0.500000 0.500000 Li\n0.494358 0.214135 0.592555 Li\n-0.017339 0.838312 0.707961 V\n0.017337 0.161688 0.292039 V\n0.500001 -0.000000 0.000000 Fe\n0.990586 0.310750 0.893522 Fe\n0.009413 0.689249 0.106478 Fe\n0.234664 0.365030 0.043380 O\n0.773122 0.210429 0.754047 O\n0.769188 0.449049 0.342855 O\n0.230811 0.550950 0.657145 O\n0.206644 0.966525 0.858826 O\n0.765335 0.634969 0.956620 O\n0.774406 0.868156 0.544169 O\n0.225593 0.131843 0.455831 O\n0.226878 0.789570 0.245953 O\n0.793355 0.033474 0.141174 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"V",
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"O"
],
"chemical_system": "Fe-Li-O-V",
"density": 4.527679813959339,
"density_atomic": 0.10900837406584016,
"volume": 165.12492874288859,
"volume_molar": 5.524475354859138,
"formula_full": "Li3 V2 Fe3 O10",
"formula_reduced": "Li3V2Fe3O10",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 3.044643883333333,
"spacegroup": 2
},
{
"id": "jvasp-45854",
"created_at": "2022-09-04T14:35:43.320017Z",
"updated_at": "2022-09-04T14:35:43.320045Z",
"structure_string": "Li3 Nb2 Fe3 O10\n1.0\n5.131055 0.043579 -0.021428\n-1.017552 4.951162 0.031208\n-2.504909 -1.891653 7.281802\nLi Nb Fe O\n3 2 3 10\ndirect\n0.876124 0.315741 0.412725 Li\n0.328762 0.389259 0.768546 Li\n0.661141 0.604380 0.207598 Li\n0.736326 0.037292 0.687238 Nb\n0.249554 0.928058 0.308230 Nb\n0.506965 0.003872 0.008354 Fe\n0.911085 0.659835 0.863290 Fe\n0.099536 0.301602 0.099442 Fe\n0.663693 0.856584 0.440717 O\n0.288341 0.681883 0.069852 O\n0.131642 0.062347 0.882476 O\n0.880764 0.989099 0.156799 O\n0.931959 0.405475 0.666935 O\n0.337688 0.120115 0.558542 O\n0.474178 0.233693 0.222031 O\n0.546989 0.771483 0.803515 O\n0.717077 0.314202 0.939383 O\n0.066995 0.551067 0.302565 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Nb",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Nb-O",
"density": 4.786651700570028,
"density_atomic": 0.09713595216539152,
"volume": 185.30728940971048,
"volume_molar": 6.199703225996298,
"formula_full": "Li3 Nb2 Fe3 O10",
"formula_reduced": "Li3Nb2Fe3O10",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 3.2034577944444447,
"spacegroup": 1
},
{
"id": "jvasp-48296",
"created_at": "2022-09-04T14:36:33.273065Z",
"updated_at": "2022-09-04T14:36:33.273094Z",
"structure_string": "Li3 V2 Fe3 O10\n1.0\n4.990983 -0.204105 0.041884\n0.880668 4.811852 0.258449\n2.190731 1.957123 6.973115\nLi V Fe O\n3 2 3 10\ndirect\n0.505414 0.784899 0.408064 Li\n0.000000 0.500000 0.500000 Li\n0.494586 0.215102 0.591935 Li\n-0.017140 0.839700 0.706833 V\n0.017140 0.160300 0.293166 V\n0.500000 0.000001 -0.000000 Fe\n0.990588 0.310689 0.893292 Fe\n0.009412 0.689311 0.106707 Fe\n0.233254 0.363442 0.043995 O\n0.773328 0.210927 0.753888 O\n0.769748 0.449936 0.342981 O\n0.230253 0.550064 0.657018 O\n0.206554 0.965572 0.859669 O\n0.766746 0.636558 0.956004 O\n0.774102 0.868974 0.543400 O\n0.225898 0.131027 0.456599 O\n0.226672 0.789074 0.246111 O\n0.793446 0.034429 0.140330 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-V",
"density": 4.511709490599056,
"density_atomic": 0.10862387271982123,
"volume": 165.70942969809468,
"volume_molar": 5.544030616118059,
"formula_full": "Li3 V2 Fe3 O10",
"formula_reduced": "Li3V2Fe3O10",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 3.0457383277777774,
"spacegroup": 2
},
{
"id": "jvasp-98450",
"created_at": "2022-09-04T14:37:51.913112Z",
"updated_at": "2022-09-04T14:37:51.913139Z",
"structure_string": "K4 Ca6 Si6 O20\n1.0\n-4.581065 -5.301520 2.461599\n-4.581065 5.301520 2.461599\n0.028270 0.000000 -9.868922\nK Ca Si O\n4 6 6 20\ndirect\n0.230500 0.478869 0.988846 K\n0.521132 0.769501 0.511154 K\n0.769501 0.521132 0.011154 K\n0.478869 0.230500 0.488846 K\n0.368403 0.631598 0.750000 Ca\n0.631598 0.368403 0.250000 Ca\n0.227479 0.990639 0.985664 Ca\n0.009362 0.772522 0.514336 Ca\n0.772522 0.009362 0.014336 Ca\n0.990639 0.227479 0.485664 Ca\n0.840335 0.159666 0.750000 Si\n0.159666 0.840335 0.250000 Si\n0.853296 0.582287 0.710588 Si\n0.417714 0.146705 0.789412 Si\n0.146705 0.417714 0.289412 Si\n0.582287 0.853296 0.210588 Si\n0.026222 0.857029 0.090125 O\n0.142972 0.973779 0.409876 O\n0.699234 0.070035 0.277481 O\n0.929966 0.300767 0.222519 O\n0.300767 0.929966 0.722519 O\n0.070035 0.699234 0.777481 O\n0.785994 0.499391 0.520099 O\n0.500610 0.214007 0.979901 O\n0.214007 0.500610 0.479901 O\n0.309510 0.309631 0.728991 O\n0.612777 0.122149 0.737420 O\n0.877853 0.387224 0.762581 O\n0.387224 0.877853 0.262581 O\n0.122149 0.612777 0.237420 O\n0.690491 0.690370 0.271009 O\n0.309631 0.309510 0.228991 O\n0.857029 0.026222 0.590125 O\n0.690370 0.690491 0.771009 O\n0.499391 0.785994 0.020099 O\n0.973779 0.142972 0.909875 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
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"Ca",
"Si",
"O"
],
"chemical_system": "Ca-K-O-Si",
"density": 3.071655476611446,
"density_atomic": 0.07521508140959421,
"volume": 478.62741521154487,
"volume_molar": 8.006560183330246,
"formula_full": "K4 Ca6 Si6 O20",
"formula_reduced": "K2Ca3Si3O10",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 1.9499671144444444,
"spacegroup": 15
},
{
"id": "jvasp-45798",
"created_at": "2022-09-04T14:38:03.379815Z",
"updated_at": "2022-09-04T14:38:03.379836Z",
"structure_string": "Li3 Mn3 Fe2 O10\n1.0\n4.951991 -0.016887 0.021820\n0.789052 4.977116 -0.024929\n2.386367 1.997711 6.787453\nLi Mn Fe O\n3 3 2 10\ndirect\n0.221515 0.501213 0.572683 Li\n0.500000 -0.000000 0.500000 Li\n0.778486 0.498788 0.427316 Li\n-0.000000 0.500000 -0.000000 Mn\n0.686767 0.005775 0.108370 Mn\n0.313233 0.994225 0.891630 Mn\n0.105907 -0.000282 0.310571 Fe\n0.894094 0.000281 0.689429 Fe\n0.875212 0.775508 0.538226 O\n0.784481 0.237370 0.236871 O\n0.547388 0.211608 0.662677 O\n0.452612 0.788392 0.337322 O\n0.036078 0.778570 0.140442 O\n0.124789 0.224492 0.461773 O\n0.346080 0.213836 0.055877 O\n0.653921 0.786165 0.944122 O\n0.215519 0.762630 0.763128 O\n0.963922 0.221430 0.859557 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.5364058908879965,
"density_atomic": 0.10752613629359326,
"volume": 167.4011605034533,
"volume_molar": 5.600629732995267,
"formula_full": "Li3 Mn3 Fe2 O10",
"formula_reduced": "Li3Mn3(FeO5)2",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 3.0957293180076624,
"spacegroup": 2
},
{
"id": "jvasp-21130",
"created_at": "2022-09-04T14:37:30.727359Z",
"updated_at": "2022-09-04T14:37:30.727383Z",
"structure_string": "Na4 Cd6 Si6 O20\n1.0\n5.157379 -0.000000 0.000000\n-2.578689 8.312827 -0.566225\n0.000000 0.054606 11.066865\nNa Cd Si O\n4 6 6 20\ndirect\n0.285070 0.092202 0.467575 Na\n0.192869 0.907799 0.032426 Na\n0.714930 0.907799 0.532426 Na\n0.807131 0.092202 0.967575 Na\n0.000000 0.500000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.056206 0.684842 0.293804 Cd\n0.371363 0.315159 0.206196 Cd\n0.943795 0.315159 0.706197 Cd\n0.628637 0.684842 0.793804 Cd\n0.814732 0.000000 0.250000 Si\n0.459168 0.300908 0.899441 Si\n0.540833 0.699093 0.100560 Si\n0.841739 0.300908 0.399441 Si\n0.185268 0.000000 0.750000 Si\n0.158261 0.699093 0.600560 Si\n0.589834 0.294375 0.033793 O\n0.295460 0.705626 0.466207 O\n0.163413 0.312768 0.397228 O\n0.970291 0.907684 0.848778 O\n0.850646 0.687232 0.102772 O\n0.836587 0.687233 0.602772 O\n0.149355 0.312768 0.897229 O\n0.755078 0.440962 0.328831 O\n0.314117 0.559039 0.171170 O\n0.244922 0.559039 0.671170 O\n0.410166 0.705626 0.966207 O\n0.685884 0.440962 0.828831 O\n0.545839 0.875848 0.172764 O\n0.330011 0.875849 0.672764 O\n0.454161 0.124152 0.827237 O\n0.937392 0.907684 0.348778 O\n0.029709 0.092317 0.151223 O\n0.062609 0.092317 0.651223 O\n0.669990 0.124152 0.327237 O\n0.704541 0.294375 0.533794 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Na",
"Cd",
"Si",
"O"
],
"chemical_system": "Cd-Na-O-Si",
"density": 4.390549740054592,
"density_atomic": 0.07584975126626269,
"volume": 474.62251884815987,
"volume_molar": 7.939565601026033,
"formula_full": "Na4 Cd6 Si6 O20",
"formula_reduced": "Na2Cd3Si3O10",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 1.718083225,
"spacegroup": 15
},
{
"id": "jvasp-47838",
"created_at": "2022-09-04T14:37:06.582338Z",
"updated_at": "2022-09-04T14:37:06.582359Z",
"structure_string": "Li3 Ti2 Fe3 O10\n1.0\n5.037435 -0.104536 0.060525\n0.945622 4.888716 0.106524\n2.224292 1.838605 7.113790\nLi Ti Fe O\n3 2 3 10\ndirect\n0.509924 0.776128 0.407096 Li\n-0.000000 0.500001 0.500000 Li\n0.490074 0.223872 0.592905 Li\n0.004253 0.874024 0.694236 Ti\n0.995745 0.125976 0.305765 Ti\n0.499999 -0.000001 0.000000 Fe\n0.986444 0.302717 0.903159 Fe\n0.013554 0.697283 0.096841 Fe\n0.220109 0.349024 0.050541 O\n0.762929 0.218730 0.766829 O\n0.788337 0.466657 0.331915 O\n0.211661 0.533343 0.668086 O\n0.214065 0.959382 0.864113 O\n0.779889 0.650977 0.949459 O\n0.772623 0.885162 0.532866 O\n0.227374 0.114839 0.467135 O\n0.237069 0.781270 0.233171 O\n0.785933 0.040619 0.135887 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Ti",
"density": 4.23010139302124,
"density_atomic": 0.10325405180070713,
"volume": 174.32729937554595,
"volume_molar": 5.832352973056655,
"formula_full": "Li3 Ti2 Fe3 O10",
"formula_reduced": "Li3Ti2Fe3O10",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 2.960509898148148,
"spacegroup": 2
},
{
"id": "jvasp-25783",
"created_at": "2022-09-04T14:37:37.993946Z",
"updated_at": "2022-09-04T14:37:37.993974Z",
"structure_string": "Na4 Ca6 Si6 O20\n1.0\n5.172452 0.000000 -0.000000\n-2.586226 8.161291 -0.410955\n-0.000000 0.004919 11.375659\nNa Ca Si O\n4 6 6 20\ndirect\n0.723688 0.913585 0.034344 Na\n0.189896 0.913585 0.534344 Na\n0.810103 0.086415 0.465656 Na\n0.276311 0.086415 0.965656 Na\n0.085203 0.696480 0.792011 Ca\n0.611277 0.696480 0.292011 Ca\n-0.000000 0.500000 0.500000 Ca\n0.388722 0.303520 0.707989 Ca\n0.914796 0.303520 0.207989 Ca\n0.499999 0.500000 0.000000 Ca\n0.463039 0.302909 0.397195 Si\n0.839869 0.302909 0.897195 Si\n0.536960 0.697091 0.602805 Si\n0.160130 0.697091 0.102805 Si\n0.795182 0.000000 0.750000 Si\n0.204818 0.000000 0.250000 Si\n0.080130 0.087382 0.150379 O\n0.236513 0.544510 0.162303 O\n0.763486 0.455490 0.837697 O\n0.348424 0.864681 0.185351 O\n0.153743 0.310669 0.391313 O\n0.843074 0.689331 0.108688 O\n0.307996 0.544510 0.662303 O\n0.992747 0.912618 0.349622 O\n0.846255 0.689331 0.608688 O\n0.581171 0.282237 0.527351 O\n0.701066 0.282237 0.027351 O\n0.516257 0.864682 0.685351 O\n0.418828 0.717763 0.472649 O\n0.483742 0.135318 0.314650 O\n0.007252 0.087382 0.650379 O\n0.919869 0.912618 0.849622 O\n0.651575 0.135319 0.814650 O\n0.156925 0.310669 0.891313 O\n0.298933 0.717763 0.972649 O\n0.692003 0.455490 0.337697 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
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"Si",
"O"
],
"chemical_system": "Ca-Na-O-Si",
"density": 2.838656569460492,
"density_atomic": 0.07496544908939053,
"volume": 480.22122774283355,
"volume_molar": 8.033221748353778,
"formula_full": "Na4 Ca6 Si6 O20",
"formula_reduced": "Na2Ca3Si3O10",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 1.9815250033333327,
"spacegroup": 15
},
{
"id": "jvasp-47891",
"created_at": "2022-09-04T14:36:49.779118Z",
"updated_at": "2022-09-04T14:36:49.779153Z",
"structure_string": "Li3 Ti2 Mn3 O10\n1.0\n4.983547 -0.100932 -0.078824\n0.896132 5.126522 0.015799\n2.079359 1.540059 7.241780\nLi Ti Mn O\n3 2 3 10\ndirect\n0.508630 0.761164 0.401739 Li\n-0.000000 0.500000 0.500000 Li\n0.491370 0.238836 0.598261 Li\n0.031577 0.878427 0.683954 Ti\n0.968423 0.121573 0.316047 Ti\n0.500000 0.000000 0.000000 Mn\n0.990723 0.314173 0.893134 Mn\n0.009278 0.685827 0.106867 Mn\n0.213622 0.125129 0.473617 O\n0.745784 0.192234 0.784985 O\n0.767248 0.432257 0.354308 O\n0.232753 0.567743 0.645692 O\n0.240255 0.002523 0.847156 O\n0.786379 0.874871 0.526383 O\n0.807672 0.658242 0.927337 O\n0.192329 0.341757 0.072664 O\n0.254216 0.807766 0.215015 O\n0.759746 -0.002523 0.152845 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 3.934489005558393,
"density_atomic": 0.0966303872484169,
"volume": 186.27680704337544,
"volume_molar": 6.232139735214258,
"formula_full": "Li3 Ti2 Mn3 O10",
"formula_reduced": "Li3Ti2Mn3O10",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 3.1187551883780333,
"spacegroup": 2
},
{
"id": "jvasp-98452",
"created_at": "2022-09-04T14:35:58.244533Z",
"updated_at": "2022-09-04T14:35:58.244560Z",
"structure_string": "K4 Ca6 Si6 O20\n1.0\n5.614562 -0.008099 0.914377\n0.078281 7.381389 0.485562\n-0.020387 -0.005585 11.835851\nK Ca Si O\n4 6 6 20\ndirect\n0.721145 0.961127 0.627268 K\n0.278854 0.038874 0.372732 K\n0.171914 0.951215 0.857857 K\n0.828085 0.048786 0.142143 K\n0.212345 0.244554 0.627955 Ca\n0.787654 0.755447 0.372045 Ca\n0.183447 0.479181 0.862465 Ca\n0.816552 0.520820 0.137535 Ca\n0.736134 0.498560 0.651503 Ca\n0.263865 0.501441 0.348497 Ca\n0.644456 0.746624 0.908842 Si\n0.355543 0.253376 0.091158 Si\n0.335101 0.804894 0.146661 Si\n0.664899 0.195106 0.853339 Si\n0.755438 0.269150 0.418196 Si\n0.244561 0.730851 0.581804 Si\n0.451522 0.344421 0.194586 O\n0.548477 0.655580 0.805414 O\n0.673059 0.970124 0.874804 O\n0.326940 0.029877 0.125196 O\n0.419045 0.726867 0.018292 O\n0.580954 0.273133 0.981708 O\n0.527571 0.745320 0.231180 O\n0.472428 0.254681 0.768820 O\n0.072277 0.735934 0.200615 O\n0.787880 0.065551 0.369125 O\n0.094851 0.718276 0.472933 O\n0.905148 0.281725 0.527067 O\n0.867855 0.432080 0.323376 O\n0.132144 0.567920 0.676624 O\n0.529790 0.691094 0.536124 O\n0.470209 0.308906 0.463876 O\n0.112848 0.327186 0.049410 O\n0.212119 0.934449 0.630875 O\n0.927722 0.264066 0.799385 O\n0.887151 0.672815 0.950590 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
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"Ca",
"Si",
"O"
],
"chemical_system": "Ca-K-O-Si",
"density": 2.9962287186547356,
"density_atomic": 0.07336811980098495,
"volume": 490.6763332309997,
"volume_molar": 8.208116517549294,
"formula_full": "K4 Ca6 Si6 O20",
"formula_reduced": "K2Ca3Si3O10",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 1.9498615588888888,
"spacegroup": 2
},
{
"id": "jvasp-120579",
"created_at": "2022-09-04T14:38:53.445506Z",
"updated_at": "2022-09-04T14:38:53.445540Z",
"structure_string": "Li3 Ti2 Co3 O10\n1.0\n4.754034 0.072129 1.387256\n0.511324 4.737071 1.482039\n0.116684 0.055318 7.633571\nLi Ti Co O\n3 2 3 10\ndirect\n0.513918 0.780110 0.397431 Li\n-0.000001 0.500000 0.500000 Li\n0.486079 0.219890 0.602570 Li\n-0.001421 0.869759 0.695595 Ti\n0.001419 0.130241 0.304406 Ti\n0.500000 0.000000 0.000000 Co\n0.977955 0.296345 0.904872 Co\n0.022043 0.703655 0.095129 Co\n0.218673 0.331917 0.050992 O\n0.746300 0.209637 0.774570 O\n0.792989 0.472684 0.328328 O\n0.207009 0.527316 0.671673 O\n0.227493 0.960425 0.874229 O\n0.781324 0.668083 0.949009 O\n0.774742 0.885440 0.528495 O\n0.225256 0.114561 0.471506 O\n0.253698 0.790363 0.225431 O\n0.772505 0.039576 0.125772 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 4.414687096581272,
"density_atomic": 0.10555751418977469,
"volume": 170.5231516501897,
"volume_molar": 5.705080122645938,
"formula_full": "Li3 Ti2 Co3 O10",
"formula_reduced": "Li3Ti2Co3O10",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 2.9336519092592592,
"spacegroup": 2
},
{
"id": "jvasp-122129",
"created_at": "2022-09-04T14:38:55.041418Z",
"updated_at": "2022-09-04T14:38:55.041447Z",
"structure_string": "Dy6 Co4 Si6\n1.0\n5.584686 0.010696 0.000000\n-4.095526 3.796774 0.000000\n0.000000 -0.000000 13.607941\nDy Co Si\n6 4 6\ndirect\n0.638524 0.361476 0.250000 Dy\n0.361476 0.638524 0.750000 Dy\n0.919486 0.080516 0.111697 Dy\n0.080514 0.919483 0.888303 Dy\n0.080514 0.919483 0.611697 Dy\n0.919486 0.080516 0.388303 Dy\n0.785879 0.214122 0.581919 Co\n0.214121 0.785878 0.418081 Co\n0.214121 0.785878 0.081919 Co\n0.785879 0.214122 0.918081 Co\n0.332350 0.667649 0.250000 Si\n0.667650 0.332351 0.750000 Si\n0.621680 0.378320 0.040266 Si\n0.378320 0.621680 0.959734 Si\n0.378320 0.621680 0.540266 Si\n0.621680 0.378320 0.459734 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Dy",
"Co",
"Si"
],
"chemical_system": "Co-Dy-Si",
"density": 7.92115545283895,
"density_atomic": 0.05533727354708032,
"volume": 289.1360375098239,
"volume_molar": 10.882611979204997,
"formula_full": "Dy6 Co4 Si6",
"formula_reduced": "Dy3Co2Si3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": null,
"spacegroup": 63
}
]
}